D00001 -OEChem-05072121432D 13 13 0 0 0 0 0 0 0999 V2000 2.8660 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 6 2 0 0 0 0 2 7 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ D00002 -OEChem-05072121432D 39 42 0 1 0 0 0 0 0999 V2000 8.0524 3.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.0159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.6254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -4.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.9346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3435 1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3452 2.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8055 1.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3947 2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 2.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.8206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8414 -3.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2953 -2.7100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -3.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -4.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 -4.5852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 0.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9602 1.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 2.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 1.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2041 3.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 2.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7515 2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -0.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5547 4.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 37 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 2 31 1 0 0 0 0 11 3 1 1 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 16 1 0 0 0 0 5 21 2 0 0 0 0 6 17 2 0 0 0 0 6 21 1 0 0 0 0 7 21 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 1 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$ D00003 -OEChem-05072121432D 69 73 0 0 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 0.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9366 -1.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2473 1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5202 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2258 1.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5794 2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4399 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3536 1.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8324 1.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0979 2.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0409 2.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1654 2.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1180 1.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1402 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5202 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 36 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 23 2 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 31 2 0 0 0 0 8 31 1 0 0 0 0 8 35 1 0 0 0 0 8 68 1 0 0 0 0 9 34 2 0 0 0 0 9 35 1 0 0 0 0 10 35 2 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 53 1 0 0 0 0 20 24 2 0 0 0 0 20 27 1 0 0 0 0 21 29 2 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 32 1 0 0 0 0 24 30 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 33 2 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 69 1 0 0 0 0 M END $$$$ D00004 -OEChem-05072121432D 57 61 0 1 0 0 0 0 0999 V2000 2.5357 -3.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.3829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -1.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.5291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -1.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.5359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1857 1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 2.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 3.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -3.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0786 -0.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 1.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5783 0.9709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4145 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9996 3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 1 0 0 0 1 53 1 0 0 0 0 2 24 1 0 0 0 0 2 26 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 27 1 6 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 1 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 6 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 1 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 M END $$$$ D00005 -OEChem-05072121432D 58 62 0 1 0 0 0 0 0999 V2000 2.9940 2.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -4.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4955 3.8137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.7484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 1.2484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.7485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -0.7515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9924 -3.5646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -4.7213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0819 3.0037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0335 3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 4.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0847 4.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 3.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0819 -0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 4.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0604 -0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -1.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7247 -2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 -2.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 5.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 -3.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 -4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6352 -5.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 -6.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 -5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -6.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2421 2.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1613 2.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6502 3.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 4.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1652 4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 5.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 4.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 2.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 -0.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8074 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -1.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4959 -1.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3106 -2.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 6.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6909 6.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 6.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4064 -3.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -5.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5318 -6.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1989 -5.7997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1170 -7.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 29 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 14 2 0 0 0 0 5 17 1 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 19 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 29 1 0 0 0 0 8 31 1 0 0 0 0 8 54 1 0 0 0 0 9 31 1 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 6 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 44 1 0 0 0 0 22 28 3 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 M END $$$$ D00006 -OEChem-05072121432D 22 21 0 0 0 0 0 0 0999 V2000 3.4030 -0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 M END $$$$ D00007 -OEChem-05072121432D 87 90 0 1 0 0 0 0 0999 V2000 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -5.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 5.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 6 0 0 0 25 1 1 1 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 30 4 1 6 0 0 0 32 4 1 6 0 0 0 21 5 1 6 0 0 0 5 70 1 0 0 0 0 24 6 1 1 0 0 0 6 72 1 0 0 0 0 26 7 1 1 0 0 0 7 73 1 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 29 9 1 6 0 0 0 9 74 1 0 0 0 0 31 10 1 1 0 0 0 10 77 1 0 0 0 0 33 11 1 6 0 0 0 11 80 1 0 0 0 0 34 12 1 1 0 0 0 12 81 1 0 0 0 0 38 13 1 1 0 0 0 13 82 1 0 0 0 0 14 39 1 0 0 0 0 14 83 1 0 0 0 0 41 15 1 6 0 0 0 15 84 1 0 0 0 0 16 42 1 0 0 0 0 16 85 1 0 0 0 0 17 43 1 0 0 0 0 17 86 1 0 0 0 0 18 44 1 0 0 0 0 18 87 1 0 0 0 0 20 19 1 1 0 0 0 28 19 1 1 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 47 1 0 0 0 0 23 35 1 6 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 27 39 1 1 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 37 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 58 1 0 0 0 0 33 38 1 0 0 0 0 33 59 1 0 0 0 0 34 41 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 43 1 1 0 0 0 36 64 1 0 0 0 0 37 40 2 0 0 0 0 37 65 1 0 0 0 0 38 40 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 40 44 1 0 0 0 0 41 42 1 0 0 0 0 41 69 1 0 0 0 0 42 71 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 M END $$$$ D00008 -OEChem-05072121432D 52 52 0 1 0 0 0 0 0999 V2000 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 38 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END $$$$ D00009 -OEChem-05072121432D 20 20 0 0 0 0 0 0 0999 V2000 2.8660 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ D00010 -OEChem-05072121432D 19 19 0 0 0 0 0 0 0999 V2000 7.2144 0.3481 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 0.6269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5234 -0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9053 1.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.3481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 -0.9120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1654 0.6571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -0.9120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 0.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6262 0.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2943 1.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 5 12 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 M END $$$$ D00011 -OEChem-05072121432D 19 18 0 1 0 0 0 0 0999 V2000 5.4641 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 6 5 1 6 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ D00012 -OEChem-05072121432D 50 50 0 0 0 0 0 0 0999 V2000 3.7320 -5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 4.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 2 50 1 0 0 0 0 3 24 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 M END $$$$ D00013 -OEChem-05072121432D 27 28 0 0 0 0 0 0 0999 V2000 7.3704 0.8632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 2.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 0.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 2.4334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0672 1.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 1.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5769 3.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 22 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$ D00014 -OEChem-05072121432D 66 67 0 0 0 0 0 0 0999 V2000 7.5673 -1.0821 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1671 -3.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6745 0.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 -0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 -2.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 2.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 -1.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.1819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.7914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 1.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 -5.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4068 -4.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 -4.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7818 2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 2.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1419 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 -3.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8808 1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7240 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1776 -5.4892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 -5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3563 -5.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5994 -4.6248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9961 -3.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2142 -3.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3131 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9164 -4.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6984 -5.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9744 1.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3711 2.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5892 2.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1099 2.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 3.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 2.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5526 0.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3345 0.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7313 1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 1.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -0.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 0.4881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4702 -2.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 -1.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6367 0.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1044 0.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.2966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 27 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 23 1 0 0 0 0 3 29 1 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 10 25 1 0 0 0 0 10 28 1 0 0 0 0 10 32 1 0 0 0 0 11 31 1 0 0 0 0 11 32 2 0 0 0 0 12 28 2 0 0 0 0 12 34 1 0 0 0 0 13 33 1 0 0 0 0 13 34 2 0 0 0 0 14 33 1 0 0 0 0 14 65 1 0 0 0 0 14 66 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 31 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 32 63 1 0 0 0 0 34 64 1 0 0 0 0 M END $$$$ D00015 -OEChem-05072121432D 33 34 0 0 0 0 0 0 0999 V2000 4.5981 1.1690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -1.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.1690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1890 -1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 -1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END $$$$ D00016 -OEChem-05072121432D 70 75 0 0 0 0 0 0 0999 V2000 16.5021 1.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3235 -1.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 0.4179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 1.0529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 1.8601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5700 0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2647 -0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9207 1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2874 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6380 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9197 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2724 1.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8527 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9351 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -0.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3161 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9937 2.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0426 2.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2956 -0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 -0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8301 2.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1967 0.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 0.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9824 -1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 1.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6697 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2734 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7594 1.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4226 1.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6636 2.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2887 -0.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8790 -0.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8967 1.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3064 1.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7628 -0.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5218 -0.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8287 2.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2384 2.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6948 -0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4538 -0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1198 1.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4086 1.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4544 2.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6491 2.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9137 3.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 -1.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3546 2.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 2.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2207 -0.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8110 0.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4656 2.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5287 -1.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3660 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 -1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 2.0988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -2.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4759 -3.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -0.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 25 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 30 1 0 0 0 0 5 62 1 0 0 0 0 6 36 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 21 2 0 0 0 0 16 26 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 27 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 20 29 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 35 2 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 M END $$$$ D00017 -OEChem-05072121432D 27 26 0 0 0 0 0 0 0999 V2000 5.1350 -0.5880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -0.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 1.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -1.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$ D00018 -OEChem-05072121432D 55 57 0 1 0 0 0 0 0999 V2000 13.4308 2.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -0.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 1.0779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.0538 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 1.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.9462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.0538 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2398 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4090 2.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8063 1.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9298 0.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3238 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4105 1.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9754 2.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2174 2.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4636 1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 2.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 2.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 2.0755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 2.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 40 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 18 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$ D00019 -OEChem-05072121432D 92 92 0 1 0 0 0 0 0999 V2000 8.9282 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6244 -2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6244 -4.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9344 -1.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0874 -2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0874 -3.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3144 -4.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1613 -4.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 66 1 0 0 0 0 2 21 2 0 0 0 0 3 29 1 0 0 0 0 3 35 1 0 0 0 0 4 33 1 0 0 0 0 4 37 1 0 0 0 0 5 34 2 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 12 7 1 6 0 0 0 7 58 1 0 0 0 0 7 59 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 8 67 1 0 0 0 0 9 34 1 0 0 0 0 9 79 1 0 0 0 0 9 80 1 0 0 0 0 10 11 1 1 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 45 1 0 0 0 0 16 15 1 6 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 16 48 1 0 0 0 0 17 22 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 26 34 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 28 30 2 0 0 0 0 28 71 1 0 0 0 0 29 33 2 0 0 0 0 30 33 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 35 36 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 36 38 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 M END $$$$ D00020 -OEChem-05072121432D 14 15 0 0 0 0 0 0 0999 V2000 3.4030 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -1.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 1.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ D00021 -OEChem-05072121432D 48 50 0 0 0 0 0 0 0999 V2000 4.4487 -0.6311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -2.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -1.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -2.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 0.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0516 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5652 1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 2.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3095 2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2525 2.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3295 2.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 M END $$$$ D00022 -OEChem-05072121432D 46 48 0 1 0 0 0 0 0999 V2000 8.5991 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 8 5 1 1 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$ D00023 -OEChem-05072121432D 40 43 0 0 0 0 0 0 0999 V2000 5.3923 -1.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.4536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7883 -0.0832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 -1.1705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 -1.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 -2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7824 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 1.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 1.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 0.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 1.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -1.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 -1.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 2.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 3.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 2.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -0.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -1.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3939 -2.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9431 -3.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6266 -2.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1990 0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 17 1 0 0 0 0 4 22 2 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$ D00024 -OEChem-05072121432D 35 38 0 0 0 0 0 0 0999 V2000 2.0000 -0.2812 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.6082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 0.5824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -1.8947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -2.7696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 3.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 -0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 0.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -2.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 0.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -2.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -2.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -3.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 -3.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 3.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 3.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$ D00025 -OEChem-05072121432D 33 33 0 0 0 0 0 0 0999 V2000 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M END $$$$ D00026 -OEChem-05072121432D 63 65 0 1 0 0 0 0 0999 V2000 6.7320 4.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6060 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.3940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2320 3.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 4.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 5.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 3.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 4.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 3.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 2.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 4.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 5.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 5.7410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 57 1 0 0 0 0 2 20 2 0 0 0 0 3 31 1 0 0 0 0 3 63 1 0 0 0 0 4 31 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 20 1 0 0 0 0 6 27 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 1 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 6 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 22 2 0 0 0 0 18 49 1 0 0 0 0 19 24 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END $$$$ D00027 -OEChem-05072121432D 28 30 0 0 0 0 0 0 0999 V2000 3.6730 1.5251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -2.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ D00028 -OEChem-05072121432D 50 52 0 1 0 0 0 0 0999 V2000 7.6962 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 -0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 0.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3162 0.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 -3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3862 -3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 8 2 1 6 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 43 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 24 2 0 0 0 0 6 23 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 15 1 0 0 0 0 8 29 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 31 1 0 0 0 0 13 19 2 0 0 0 0 13 32 1 0 0 0 0 14 20 2 0 0 0 0 14 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END $$$$ D00029 -OEChem-05072121432D 23 23 0 0 0 0 0 0 0999 V2000 7.7331 -0.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 M END $$$$ D00030 -OEChem-05072121432D 22 21 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ D00031 -OEChem-05072121432D 60 62 0 0 0 0 0 0 0999 V2000 7.5673 2.1767 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.2130 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 2.7953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 3.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 3.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 1.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -4.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 3.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 4.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -3.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -2.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 1.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -3.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5019 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0951 2.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4524 3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 2.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -4.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -4.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3813 3.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9846 4.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2026 4.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7349 4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3382 5.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5563 4.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -1.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 22 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 24 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 26 1 0 0 0 0 19 46 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 M END $$$$ D00032 -OEChem-05072121432D 44 46 0 0 0 0 0 0 0999 V2000 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4199 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$ D00033 -OEChem-05072121432D 53 54 0 1 0 0 0 0 0999 V2000 8.1810 2.9836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 2.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 16 2 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 8 26 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END $$$$ D00034 -OEChem-05072121432D 38 41 0 0 0 0 0 0 0999 V2000 2.0000 -1.2559 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 0.5087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 2.3106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 -0.3923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 1.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 -2.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -2.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -2.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -2.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 -1.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 -2.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 0.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 1.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 0.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9681 -0.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6298 2.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 2.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0286 1.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 1.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 2.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -0.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -3.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -2.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 -0.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3460 -3.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 -1.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 -2.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 5 10 2 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$ D00035 -OEChem-05072121432D 44 46 0 1 0 0 0 0 0999 V2000 10.6404 0.8209 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2803 -2.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9276 -1.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7482 0.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -0.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9754 1.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 0.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2282 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6404 -0.7971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6811 0.5160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6811 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0372 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3033 1.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3369 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5581 1.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1080 0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 0.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6728 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5388 -0.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4017 -0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1371 1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4719 -3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1266 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 2.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 0.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 2.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 25 1 0 0 0 0 6 44 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 35 1 0 0 0 0 19 9 1 1 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$ D00036 -OEChem-05072121432D 23 23 0 1 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 M END $$$$ D00037 -OEChem-05072121432D 43 45 0 1 0 0 0 0 0999 V2000 9.2365 0.8209 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -2.4913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5236 -1.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 0.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -0.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 1.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 0.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -0.7971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 0.5160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 -0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 1.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9329 1.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 1.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 1.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 0.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 1.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -0.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 1.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 2.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7227 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 2.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 2.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 0.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 12 7 1 1 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 18 8 1 1 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 6 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$ D00038 -OEChem-05072121432D 23 25 0 0 0 0 0 0 0999 V2000 3.7817 1.7143 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7039 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 -0.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.3203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 0.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -0.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 1.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 1.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 0.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 1.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -1.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 3 12 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 23 1 0 0 0 0 M END $$$$ D00039 -OEChem-05072121432D 41 42 0 0 0 0 0 0 0999 V2000 7.1962 -2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 -2.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -2.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7975 -2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 -4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 22 2 0 0 0 0 3 19 3 0 0 0 0 4 20 3 0 0 0 0 5 21 2 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00040 -OEChem-05072121432D 59 63 0 0 0 0 0 0 0999 V2000 8.0622 -0.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 -3.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 1.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 3.0926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 2.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 -0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8279 -2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 -3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.5235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 -0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 -1.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0809 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4138 -2.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3562 3.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 2.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9677 -4.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -3.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2234 -3.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 28 2 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 22 2 0 0 0 0 9 28 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END $$$$ D00041 -OEChem-05072121432D 56 58 0 1 0 0 0 0 0999 V2000 8.6279 1.7141 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 2.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.8481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6279 1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 1.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -4.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 1.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 2.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 0.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 1.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2479 1.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 2.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1028 -3.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1028 -3.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 -2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.3481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 4.3481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -4.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8179 -4.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -4.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 23 1 0 0 0 0 6 29 1 0 0 0 0 7 26 1 0 0 0 0 7 30 1 0 0 0 0 8 28 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 20 1 0 0 0 0 10 28 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 36 1 0 0 0 0 19 24 2 0 0 0 0 19 37 1 0 0 0 0 20 25 2 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 27 2 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$ D00042 -OEChem-05072121432D 58 61 0 1 0 0 0 0 0999 V2000 3.7320 -3.3656 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.1344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.1344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.2684 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.0004 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -3.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8656 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8418 -2.9588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -4.3601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0109 -4.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.3656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -3.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -3.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -1.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 0.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9706 -2.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -5.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 6 37 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 16 9 1 1 0 0 0 21 9 1 1 0 0 0 10 34 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 12 34 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 34 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 23 27 1 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 56 1 0 0 0 0 32 35 2 0 0 0 0 32 37 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$ D00043 -OEChem-05072121432D 57 60 0 0 0 0 0 0 0999 V2000 4.5961 1.5396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 2.5329 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6718 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9339 -1.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 -1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -0.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2019 -1.9129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -1.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 -1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 -1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9397 -1.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8038 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3359 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2019 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3359 -1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5358 -1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0679 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4419 -1.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4419 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5358 -0.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0679 -1.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 -2.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -2.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9469 -0.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5457 0.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 -2.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 0.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 0.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -2.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6080 -2.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4685 -0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 -0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5430 -2.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3401 -2.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2005 -0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4034 -0.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6004 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8034 0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6785 -0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2800 0.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 -2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4491 0.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0001 -0.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2019 -2.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 4 30 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 21 1 0 0 0 0 7 30 1 0 0 0 0 7 57 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 22 26 2 0 0 0 0 22 29 1 0 0 0 0 23 27 2 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 53 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$ D00044 -OEChem-05072121432D 34 35 0 1 0 0 0 0 0999 V2000 3.7320 0.3450 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 6 0 0 0 3 19 2 0 0 0 0 4 19 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 M END $$$$ D00045 -OEChem-05072121432D 36 39 0 1 0 0 0 0 0999 V2000 7.9254 -1.3034 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 -1.7948 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5438 -0.6334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6428 -0.1995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4078 -1.6182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9577 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -0.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6673 0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1973 -0.9197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 -1.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 0.0255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 -2.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5558 -0.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 -1.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -2.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -3.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.9648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0524 -1.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 0.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 1.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 3.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0185 0.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 3.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 1 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 6 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 2 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$ D00046 -OEChem-05072121432D 21 21 0 0 0 0 0 0 0999 V2000 3.7320 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END $$$$ D00047 -OEChem-05072121432D 103105 0 1 0 0 0 0 0999 V2000 6.3301 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7573 -4.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 -4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -2.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 -2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 1 84 1 0 0 0 0 2 22 2 0 0 0 0 3 26 2 0 0 0 0 4 33 1 0 0 0 0 4 45 1 0 0 0 0 5 36 1 0 0 0 0 5 47 1 0 0 0 0 6 33 2 0 0 0 0 7 36 2 0 0 0 0 15 8 1 1 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 30 1 0 0 0 0 16 10 1 1 0 0 0 10 33 1 0 0 0 0 10 70 1 0 0 0 0 11 26 1 0 0 0 0 11 80 1 0 0 0 0 20 12 1 6 0 0 0 12 36 1 0 0 0 0 12 83 1 0 0 0 0 13 46 1 0 0 0 0 13 50 2 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 52 1 0 0 0 0 16 22 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 26 1 0 0 0 0 20 57 1 0 0 0 0 21 31 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 32 1 0 0 0 0 30 81 1 0 0 0 0 30 82 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 34 39 1 0 0 0 0 34 85 1 0 0 0 0 35 40 2 0 0 0 0 35 86 1 0 0 0 0 37 42 1 0 0 0 0 37 87 1 0 0 0 0 38 43 2 0 0 0 0 38 88 1 0 0 0 0 39 41 2 0 0 0 0 39 89 1 0 0 0 0 40 41 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 42 44 2 0 0 0 0 42 92 1 0 0 0 0 43 44 1 0 0 0 0 43 93 1 0 0 0 0 44 46 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 48 2 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 47 99 1 0 0 0 0 48 49 1 0 0 0 0 48100 1 0 0 0 0 49 51 2 0 0 0 0 49101 1 0 0 0 0 50 51 1 0 0 0 0 50102 1 0 0 0 0 51103 1 0 0 0 0 M END $$$$ D00048 -OEChem-05072121442D 41 41 0 1 0 0 0 0 0999 V2000 5.4641 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ D00049 -OEChem-05072121442D 40 41 0 1 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END $$$$ D00050 -OEChem-05072121442D 76 79 0 1 0 0 0 0 0999 V2000 10.1755 -4.8965 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 -1.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2578 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -0.3087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8565 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -0.2576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9781 0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.1025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2633 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0945 -1.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6298 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4388 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0266 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6254 4.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6199 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -0.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 0.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 -0.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 2.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 2.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4878 -0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 -2.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2399 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -1.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0905 0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 2.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 4.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6432 3.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3732 5.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9843 5.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 16 2 1 1 0 0 0 2 61 1 0 0 0 0 22 3 1 1 0 0 0 3 67 1 0 0 0 0 4 23 2 0 0 0 0 5 35 1 0 0 0 0 5 73 1 0 0 0 0 6 35 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 23 1 0 0 0 0 8 34 1 0 0 0 0 8 64 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 24 35 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 36 2 0 0 0 0 31 68 1 0 0 0 0 32 36 1 0 0 0 0 32 69 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 M END $$$$ D00051 -OEChem-05072121442D 66 64 0 1 0 0 0 0 0999 V2000 5.7331 6.1200 0.0000 Au 0 3 0 0 0 0 0 0 0 0 0 0 5.7331 5.1200 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 12.2769 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8671 3.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8671 4.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 13.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 13.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 13.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 13.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 10.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 11.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 11.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 12.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 12.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 11.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 11.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 17 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 9 19 2 0 0 0 0 10 20 2 0 0 0 0 11 21 2 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ D00052 -OEChem-05072121442D 60 63 0 1 0 0 0 0 0999 V2000 2.0000 -2.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4975 -3.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -2.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0109 -2.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2896 -2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4539 -2.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8193 -3.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5773 -2.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -1.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9257 -1.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3433 -0.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5318 -0.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 -2.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 -3.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0368 -4.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 16 1 0 0 0 0 2 44 1 0 0 0 0 3 22 2 0 0 0 0 4 29 1 0 0 0 0 4 31 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 46 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 30 2 0 0 0 0 10 32 1 0 0 0 0 11 30 1 0 0 0 0 11 33 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 50 1 0 0 0 0 25 28 2 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ D00053 -OEChem-05072121442D 46 49 0 0 0 0 0 0 0999 V2000 5.1350 -1.6565 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 -1.4612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -0.6565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6113 2.9998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6793 0.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2576 2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5683 3.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9220 3.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 4.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8719 -2.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 1.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3825 0.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6717 2.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1750 3.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -4.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -4.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5079 4.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0931 4.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 32 1 0 0 0 0 4 9 2 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 5 39 1 0 0 0 0 6 23 1 0 0 0 0 6 27 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 18 23 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 28 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$ D00054 -OEChem-05072121442D 26 28 0 0 0 0 0 0 0999 V2000 4.4487 -0.0709 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.0709 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1724 1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.2662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.5709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -2.8756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.0928 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4487 -3.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -0.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4536 -0.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4646 -2.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -2.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 19 2 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M CHG 2 2 -1 9 1 M END $$$$ D00055 -OEChem-05072121442D 66 71 0 0 0 0 0 0 0999 V2000 8.7106 -2.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5946 2.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 3.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 3.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -2.0697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -3.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2041 2.3783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 1.2977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 -0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -2.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0625 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3517 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 -3.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6408 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9945 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3087 0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -3.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3389 2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -0.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 -1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 -2.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3127 0.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 -1.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8979 0.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -3.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -3.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 -4.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 -1.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 1.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4121 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 0.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9153 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -4.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8306 -3.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 2.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -0.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 28 1 0 0 0 0 2 35 1 0 0 0 0 3 28 2 0 0 0 0 4 38 1 0 0 0 0 4 42 1 0 0 0 0 5 12 1 0 0 0 0 5 40 1 0 0 0 0 6 39 1 0 0 0 0 6 42 1 0 0 0 0 7 40 2 0 0 0 0 8 42 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 11 33 1 0 0 0 0 11 40 1 0 0 0 0 11 63 1 0 0 0 0 12 33 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 21 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 23 1 0 0 0 0 18 28 1 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 37 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 34 1 0 0 0 0 31 54 1 0 0 0 0 32 36 1 0 0 0 0 32 55 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 38 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 39 2 0 0 0 0 39 41 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 M END $$$$ D00056 -OEChem-05072121442D 124126 0 1 0 0 0 0 0999 V2000 7.5612 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6538 -1.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 1.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 3.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 0.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5612 -3.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 4.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5419 3.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 3.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6685 1.3279 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8291 -4.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -0.7548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3180 -0.0857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0122 -1.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9113 0.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0067 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8728 -0.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9113 1.8279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6951 -2.1208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5090 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 0.9290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6415 -1.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 0.5689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6951 -3.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4605 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -3.6208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2389 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 1.5470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4605 2.3060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0067 3.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9631 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8728 3.1150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8231 2.2161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9631 -2.1208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0122 3.7196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5419 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 2.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 -0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3741 2.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8054 4.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9077 4.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6685 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 3.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 -5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9941 5.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -0.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4488 -0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 0.0748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 0.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8358 -1.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8151 -0.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4919 -0.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 2.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 -1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1446 -0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0074 -1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 0.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1597 -2.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0317 -2.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1234 -1.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 -3.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7891 -0.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2922 -3.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9479 -0.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7275 -0.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 1.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0130 2.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 -3.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -3.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4919 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 2.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4922 4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0415 -2.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0811 -1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9568 -1.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0026 -0.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 2.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3267 2.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3892 -0.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7873 -0.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 -0.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6263 2.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9405 2.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1219 3.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1785 3.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4322 4.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0577 5.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6685 0.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2885 1.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6685 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 3.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 3.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 3.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4071 -1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5601 -1.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -2.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -3.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 4.9514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1483 3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 -4.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 -5.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2731 -5.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3851 -5.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 -5.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 -4.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2463 5.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 5.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 4.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -0.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 -1.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 -0.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 22 1 1 1 0 0 0 18 2 1 6 0 0 0 24 2 1 1 0 0 0 17 3 1 1 0 0 0 3 82 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 40 1 0 0 0 0 26 7 1 1 0 0 0 7 52 1 0 0 0 0 27 8 1 6 0 0 0 8109 1 0 0 0 0 31 9 1 1 0 0 0 9110 1 0 0 0 0 33 10 1 1 0 0 0 10111 1 0 0 0 0 35 11 1 6 0 0 0 11112 1 0 0 0 0 12 40 2 0 0 0 0 13 28 1 0 0 0 0 13 32 1 0 0 0 0 13 46 1 0 0 0 0 29 14 1 1 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 28 1 0 0 0 0 20 39 1 6 0 0 0 20 58 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 1 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 30 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 34 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 36 1 0 0 0 0 31 74 1 0 0 0 0 32 35 1 0 0 0 0 32 43 1 1 0 0 0 32 75 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 33 44 1 0 0 0 0 34 37 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 36 47 1 6 0 0 0 36 79 1 0 0 0 0 37 48 1 1 0 0 0 37 80 1 0 0 0 0 38 45 1 6 0 0 0 38 81 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 51 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 51119 1 0 0 0 0 51120 1 0 0 0 0 51121 1 0 0 0 0 52122 1 0 0 0 0 52123 1 0 0 0 0 52124 1 0 0 0 0 M END $$$$ D00057 -OEChem-05072121442D 26 26 0 1 0 0 0 0 0999 V2000 4.2690 -3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 21 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 M END $$$$ D00058 -OEChem-05072121442D 41 42 0 0 0 0 0 0 0999 V2000 10.3312 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -3.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -4.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 22 1 0 0 0 0 2 39 1 0 0 0 0 3 24 1 0 0 0 0 3 40 1 0 0 0 0 4 24 2 0 0 0 0 5 26 1 0 0 0 0 5 41 1 0 0 0 0 6 26 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 24 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 26 1 0 0 0 0 21 36 1 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$ D00059 -OEChem-05072121442D 68 72 0 1 0 0 0 0 0999 V2000 2.0000 0.5588 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 -0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.4654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1282 1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.4654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2622 0.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6282 0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 -1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6282 2.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1282 1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 -3.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9783 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7359 1.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 1.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5205 0.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2108 0.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9382 -1.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -0.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5509 -1.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 2.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 3.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 2.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1282 1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7482 1.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1282 2.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4168 -3.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5381 -3.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9807 -4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -2.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -3.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 -2.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 6 2 1 6 0 0 0 2 43 1 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 17 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 1 0 0 0 7 38 1 0 0 0 0 8 11 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 21 2 0 0 0 0 14 20 1 0 0 0 0 14 44 1 0 0 0 0 15 22 2 0 0 0 0 15 45 1 0 0 0 0 16 23 1 0 0 0 0 16 27 2 0 0 0 0 18 28 1 0 0 0 0 18 46 1 0 0 0 0 19 29 2 0 0 0 0 19 47 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 30 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 50 1 0 0 0 0 24 34 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 32 1 0 0 0 0 27 57 1 0 0 0 0 28 31 2 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M END $$$$ D00060 -OEChem-05072121442D 59 61 0 1 0 0 0 0 0999 V2000 6.3104 -2.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -4.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -2.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9088 -1.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9339 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9088 0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9339 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1313 -2.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5846 0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5846 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4907 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3983 -3.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 4.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1701 0.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9339 1.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3294 0.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 1.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -1.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 0.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 2.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 1.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4677 -3.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7026 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5774 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5774 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -1.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 3.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 5.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 3.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 5.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 -4.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 59 1 0 0 0 0 5 24 2 0 0 0 0 8 6 1 1 0 0 0 11 6 1 6 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 31 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D00061 -OEChem-05072121442D 23 23 0 0 0 0 0 0 0999 V2000 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ D00062 -OEChem-05072121442D 95 95 0 0 0 0 0 0 0999 V2000 9.7942 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 9.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 13.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -11.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -13.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 12.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -13.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -12.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -11.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -11.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -12.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -13.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -11.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -14.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -14.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -14.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -10.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -10.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -8.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 8.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 7.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 7.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 8.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -5.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 9.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 9.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 11.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 10.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 12.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 12.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 12.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 12.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 13.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 14.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 14.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 2 24 1 0 0 0 0 2 27 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 28 1 0 0 0 0 4 31 1 0 0 0 0 5 30 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 36 1 0 0 0 0 7 35 1 0 0 0 0 7 37 1 0 0 0 0 8 34 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 35 2 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 19 22 2 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 36 37 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 39 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 41 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 M END $$$$ D00063 -OEChem-05072121442D 39 40 0 1 0 0 0 0 0999 V2000 3.7320 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 14 2 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 12 16 2 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ D00064 -OEChem-05072121442D 48 51 0 1 0 0 0 0 0999 V2000 4.9927 -0.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5047 2.4931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9825 0.5446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2413 1.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3814 0.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6402 1.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2081 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 0.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0047 3.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5851 -1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 -2.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -2.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5248 -1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -3.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -2.7576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2909 -2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1172 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -0.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4613 2.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1865 -0.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9754 -0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2342 0.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8352 1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3556 -0.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1781 -0.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 1.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5937 1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5416 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 3.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4678 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 -0.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -0.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8289 -2.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 -2.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6325 -0.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 -0.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 -3.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 -3.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8735 -1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -2.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 1 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 6 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 20 2 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 M END $$$$ D00065 -OEChem-05072121442D 51 52 0 1 0 0 0 0 0999 V2000 3.3660 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9641 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -5.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -5.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -6.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -6.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -5.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -3.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -4.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -2.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -2.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 -2.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 3.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 3.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 4.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 6.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2101 6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 4.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 5.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 51 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 37 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 M END $$$$ D00066 -OEChem-05072121442D 28 27 0 1 0 0 0 0 0999 V2000 5.4641 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M CHG 1 3 1 M END $$$$ D00067 -OEChem-05072121442D 54 56 0 0 0 0 0 0 0999 V2000 10.6603 4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 19 1 0 0 0 0 2 29 1 0 0 0 0 3 14 2 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 33 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 24 1 0 0 0 0 7 27 1 0 0 0 0 7 41 1 0 0 0 0 8 22 2 0 0 0 0 8 48 1 0 0 0 0 9 27 2 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 15 23 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 23 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 23 40 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 M END $$$$ D00068 -OEChem-05072121442D 54 56 0 0 0 0 0 0 0999 V2000 7.2448 -3.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5128 -3.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 4.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 3.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 -1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -2.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 3.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -0.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 4.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 4.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 3.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 3.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 4.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 4.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 0.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 3.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7082 2.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2665 2.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 -0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9886 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 -1.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -1.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2424 -4.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 54 1 0 0 0 0 2 26 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 2 0 0 0 0 13 43 1 0 0 0 0 14 16 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ D00069 -OEChem-05072121442D 43 44 0 1 0 0 0 0 0999 V2000 8.9282 -2.0485 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0485 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4515 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.4515 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.4515 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -2.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -1.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -2.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -1.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 -0.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -0.8725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 -3.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 25 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 36 1 0 0 0 0 9 15 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 35 1 0 0 0 0 11 29 3 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 27 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$ D00070 -OEChem-05072121442D 46 48 0 0 0 0 0 0 0999 V2000 8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 9 1 0 0 0 0 5 22 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 12 17 2 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 32 1 0 0 0 0 14 21 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$ D00071 -OEChem-05072121442D 18 18 0 0 0 0 0 0 0999 V2000 5.5321 -0.6900 0.0000 Bi 0 4 0 0 0 0 0 0 0 0 0 0 4.6660 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 7 1 0 0 0 0 3 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 M RAD 1 1 2 M END $$$$ D00072 -OEChem-05072121442D 54 54 0 1 0 0 0 0 0999 V2000 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 37 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 M END $$$$ D00073 -OEChem-05072121442D 82 84 0 1 0 0 0 0 0999 V2000 6.6666 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 3.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -3.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 1.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -1.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 1.2562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -2.1131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.9791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3213 3.4856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -0.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7714 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -1.7471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9538 -0.4381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9538 -2.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2714 -2.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2714 -0.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6448 0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -2.1131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3660 -2.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0049 2.2072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0268 2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 3.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -3.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -2.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1717 4.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 3.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 4.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 2.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 -2.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3414 -0.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 -2.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -2.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 -2.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 -2.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -1.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -0.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 0.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 -0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 2.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 2.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 1.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2463 2.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -4.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -3.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -2.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -3.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -4.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -3.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -2.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -1.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7242 3.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4532 4.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 3.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 5.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 4.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -2.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9278 3.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1297 4.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -4.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -5.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -5.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 28 2 0 0 0 0 4 32 2 0 0 0 0 5 33 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 7 50 1 0 0 0 0 20 8 1 6 0 0 0 8 32 1 0 0 0 0 8 52 1 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 9 71 1 0 0 0 0 10 33 1 0 0 0 0 10 72 1 0 0 0 0 10 73 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 6 0 0 0 14 18 1 6 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 M END $$$$ D00074 -OEChem-05072121442D 68 71 0 0 0 0 0 0 0999 V2000 7.1962 1.7220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 4.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 3.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 4.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6972 4.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8503 5.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6233 4.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6233 2.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 2.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 3.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 39 1 0 0 0 0 7 33 1 0 0 0 0 7 68 1 0 0 0 0 8 23 1 0 0 0 0 8 53 1 0 0 0 0 9 23 1 0 0 0 0 9 26 2 0 0 0 0 10 25 2 0 0 0 0 10 26 1 0 0 0 0 11 28 2 0 0 0 0 11 36 1 0 0 0 0 12 28 1 0 0 0 0 12 37 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 29 33 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 31 34 1 0 0 0 0 31 56 1 0 0 0 0 32 35 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M END $$$$ D00075 -OEChem-05072121442D 65 68 0 0 0 0 0 0 0999 V2000 9.8429 4.7704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 4.7704 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 -0.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 1.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 2.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -3.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -4.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8429 2.7704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8429 -0.2296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4410 2.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -4.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -2.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 -1.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9768 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -0.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9768 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 1.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8429 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 2.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3166 2.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 4.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4410 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 4.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4410 4.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -2.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -2.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 -4.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2063 -4.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 -2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -5.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -5.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6707 -3.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0665 -2.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2382 -1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 -1.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -4.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -5.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -5.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5309 -1.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 -1.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 2.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3059 3.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 -0.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 2.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9366 2.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5749 5.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6870 1.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 1.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9270 1.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 35 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 4 30 1 0 0 0 0 5 32 1 0 0 0 0 5 36 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 8 56 1 0 0 0 0 9 23 1 0 0 0 0 9 27 2 0 0 0 0 10 33 3 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 34 2 0 0 0 0 32 35 2 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 M END $$$$ D00076 -OEChem-05072121442D 58 62 0 0 0 0 0 0 0999 V2000 2.0000 -0.1404 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4023 -1.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6645 -1.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.9537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 0.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 -1.4129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0665 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3383 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9383 -1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 -0.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4665 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6703 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4626 1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5344 -0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2664 -0.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1725 -1.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0664 -0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2664 0.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0664 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1725 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 0.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7985 -0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7985 0.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -1.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6066 -1.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 -0.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 0.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -0.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1285 -1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 1.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 1.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5416 -1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 -1.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 -0.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4020 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 -1.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 -1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 1.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9311 -0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1340 -0.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 2.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 1.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 -1.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 -2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 0.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 1.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3354 0.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 30 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 25 1 0 0 0 0 6 30 1 0 0 0 0 6 56 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 21 2 0 0 0 0 19 22 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D00077 -OEChem-05072121442D 79 83 0 0 0 0 0 0 0999 V2000 8.0622 6.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 4 2 0 0 0 0 2 30 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 64 1 0 0 0 0 9 28 1 0 0 0 0 9 32 2 0 0 0 0 10 28 2 0 0 0 0 10 37 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 68 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 25 1 0 0 0 0 23 61 1 0 0 0 0 24 26 2 0 0 0 0 24 62 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 38 2 0 0 0 0 32 36 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 39 1 0 0 0 0 35 75 1 0 0 0 0 36 37 2 0 0 0 0 37 77 1 0 0 0 0 38 40 1 0 0 0 0 38 76 1 0 0 0 0 39 40 2 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 M END $$$$ D00078 -OEChem-05072121442D 35 35 0 1 0 0 0 0 0999 V2000 5.4921 -0.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.9086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9230 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 1.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5411 -0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 2.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 3.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 1.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 0.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 1.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1303 2.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 1.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 2.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4817 3.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 3.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 3.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9616 3.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 1 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 M END $$$$ D00079 -OEChem-05072121442D 83 89 0 1 0 0 0 0 0999 V2000 9.3421 -4.0982 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 2.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 3.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4763 1.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 5.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -0.8615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 2.9776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 4.8016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2058 0.6418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -0.8618 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8657 -5.0519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9488 3.9903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3590 3.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9386 3.7889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0030 4.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 1.5059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9440 5.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5619 2.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 4.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 4.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -0.8548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8616 -1.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9797 -0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5131 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 5.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -4.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 -4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -5.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7945 3.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 3.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 4.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 5.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6888 6.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 5.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 3.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 3.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 1.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 3.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 1.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 -0.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6010 -1.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 4.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 5.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 5.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 5.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 5.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -2.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 -2.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 -1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0532 -0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2899 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 0.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1517 -5.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -6.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -5.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 13 3 1 6 0 0 0 3 56 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 26 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 16 9 1 6 0 0 0 9 26 1 0 0 0 0 9 55 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 81 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 44 1 1 0 0 0 14 20 1 0 0 0 0 14 21 1 6 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 27 26 1 1 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 28 65 1 1 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 74 1 0 0 0 0 34 36 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 37 2 0 0 0 0 35 41 1 0 0 0 0 36 37 1 0 0 0 0 36 40 2 0 0 0 0 37 39 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 42 2 0 0 0 0 41 43 2 0 0 0 0 41 80 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 43 83 1 0 0 0 0 M END $$$$ D00080 -OEChem-05072121442D 65 69 0 1 0 0 0 0 0999 V2000 9.0594 -0.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 0.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.1871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.3129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 0.1871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 1.1871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6831 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -1.3878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3399 1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.6871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -0.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 0.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -1.5537 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5838 2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1763 -1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2800 -2.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 -3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -0.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -1.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -0.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -0.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 0.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 1.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.4175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2953 -2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 2.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 3.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7948 -2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3269 -1.3598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -0.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -0.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 1.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6616 -2.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1295 -3.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 0.0339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9405 -3.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7594 -3.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4459 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 15 3 1 1 0 0 0 3 53 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 62 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 6 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 33 1 1 0 0 0 10 13 1 0 0 0 0 10 21 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 6 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 1 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 1 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 27 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END $$$$ D00081 -OEChem-05072121442D 45 46 0 0 0 0 0 0 0999 V2000 6.7320 2.7601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 2.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 2.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.6059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 3.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3661 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -1.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -3.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -2.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 -3.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -4.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -1.5499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 20 1 0 0 0 0 5 45 1 0 0 0 0 6 20 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$ D00082 -OEChem-05072121442D 75 81 0 1 0 0 0 0 0999 V2000 5.0395 -2.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9202 -2.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 -3.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 1.6055 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0154 -0.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5328 -0.9019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -1.7378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0154 -1.7378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3478 -1.2451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7124 -0.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5328 0.7697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9805 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4631 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5677 0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0514 -2.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0395 1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0851 -1.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 2.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 3.0237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5878 3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6863 -1.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1339 -3.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5915 -2.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7294 -2.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 -0.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -0.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 0.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 0.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 0.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8728 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 0.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6487 0.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 0.9818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1109 2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 1.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 2.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5923 2.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 -1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -2.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1504 -3.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1457 3.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7448 4.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5342 4.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9888 3.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 -1.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1612 -1.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 -0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 -0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 -4.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4695 -4.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 -3.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 -3.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8512 -4.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6862 -4.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6214 -3.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2108 -2.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 -2.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 8 2 1 1 0 0 0 2 30 1 0 0 0 0 18 3 1 1 0 0 0 3 57 1 0 0 0 0 4 27 1 0 0 0 0 4 75 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 1 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 1 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 35 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 6 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 6 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 31 2 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 M END $$$$ D00083 -OEChem-05072121442D 34 34 0 1 0 0 0 0 0999 V2000 2.0000 -2.9330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 3.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 0.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 0.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 M END $$$$ D00084 -OEChem-05072121442D 59 62 0 0 0 0 0 0 0999 V2000 11.0000 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5878 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5878 -1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5388 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5388 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 0.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 0.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 -1.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 -1.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1554 0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6677 0.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6677 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1554 -0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 -1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4174 -0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1077 -1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0826 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3923 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9174 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6077 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 6 26 1 0 0 0 0 7 25 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 M END $$$$ D00085 -OEChem-05072121442D 28 27 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$ D00086 -OEChem-05072121442D 70 73 0 1 0 0 0 0 0999 V2000 2.8834 -0.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 1.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 -0.1367 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4035 -4.3268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 1.3669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.8636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5334 -1.6782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3995 -1.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6234 -1.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -0.1297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2655 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5175 0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5334 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3995 -3.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 0.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4155 -4.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6234 -3.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8834 -3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5175 -4.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6154 -4.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 1.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 2.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1706 1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 3.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 3.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 4.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 4.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 -2.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1388 -0.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 -1.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0803 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8761 -1.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 -1.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9184 0.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1202 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4926 -0.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 0.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0901 -2.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5012 -3.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 -4.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5199 -5.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 -4.5345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7655 1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 1.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3895 3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 2.7602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7039 1.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1778 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 2.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 3.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 3.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 2.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6402 4.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8639 5.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 5.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9041 5.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 5.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 4.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9976 4.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 26 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 4 47 1 0 0 0 0 5 18 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 26 1 0 0 0 0 6 30 1 0 0 0 0 6 59 1 0 0 0 0 7 29 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 6 0 0 0 9 12 1 0 0 0 0 9 35 1 1 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 1 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 M END $$$$ D00087 -OEChem-05072121442D 61 65 0 0 0 0 0 0 0999 V2000 10.5722 6.5470 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 1.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 2.5273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 -2.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 -0.4725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6184 2.5473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -5.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7698 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2798 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7698 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9096 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7583 2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 3.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0726 -1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 -0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7351 4.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4671 4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7236 5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4555 5.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5838 5.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -3.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -5.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8095 -0.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7593 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 0.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8703 1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 -0.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 2.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6131 -2.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1821 0.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 3.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0076 3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2196 -3.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7886 -0.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1831 5.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9888 5.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -3.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -5.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 25 1 0 0 0 0 4 27 1 0 0 0 0 5 33 1 0 0 0 0 5 36 1 0 0 0 0 6 34 1 0 0 0 0 6 37 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 42 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 8 43 1 0 0 0 0 9 29 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 20 24 2 0 0 0 0 20 47 1 0 0 0 0 21 25 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 30 35 2 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 35 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 M END $$$$ D00088 -OEChem-05072121442D 24 25 0 0 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ D00089 -OEChem-05072121442D 73 75 0 1 0 0 0 0 0999 V2000 9.6100 5.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 4.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2498 4.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3488 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 1.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9896 4.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 2.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6025 3.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8392 4.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4425 4.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5414 5.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7595 5.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 4.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 5.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -5.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 66 1 0 0 0 0 26 2 1 6 0 0 0 2 73 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 6 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 6 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 19 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 2 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 27 1 0 0 0 0 25 29 2 0 0 0 0 26 28 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 M END $$$$ D00090 -OEChem-05072121442D 74 76 0 1 0 0 0 0 0999 V2000 9.6100 5.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9864 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 4.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2498 4.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3488 4.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.5136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -5.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 1.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9896 4.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 3.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 2.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6025 3.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8392 4.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4425 4.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5414 5.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7595 5.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1562 4.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 5.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 70 1 0 0 0 0 27 2 1 6 0 0 0 2 73 1 0 0 0 0 28 3 1 1 0 0 0 3 74 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 6 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 6 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 2 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 66 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 M END $$$$ D00091 -OEChem-05072121442D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ D00092 -OEChem-05072121442D 49 46 0 1 0 0 0 0 0999 V2000 9.4651 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 2 1 1 0 0 0 2 40 1 0 0 0 0 17 3 1 6 0 0 0 3 41 1 0 0 0 0 18 4 1 1 0 0 0 4 42 1 0 0 0 0 19 5 1 6 0 0 0 5 43 1 0 0 0 0 20 6 1 6 0 0 0 6 44 1 0 0 0 0 21 7 1 1 0 0 0 7 45 1 0 0 0 0 22 8 1 1 0 0 0 8 46 1 0 0 0 0 23 9 1 6 0 0 0 9 47 1 0 0 0 0 10 24 1 0 0 0 0 10 48 1 0 0 0 0 11 25 1 0 0 0 0 11 49 1 0 0 0 0 12 26 1 0 0 0 0 13 26 2 0 0 0 0 14 27 1 0 0 0 0 15 27 2 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 34 1 0 0 0 0 23 27 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M CHG 3 1 2 12 -1 14 -1 M END $$$$ D00093 -OEChem-05072121442D 56 59 0 1 0 0 0 0 0999 V2000 4.0421 -1.8553 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0424 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 3.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 2.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 4.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 5.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 4.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 3.2324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7172 4.2324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5832 2.7324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5832 4.7324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4492 4.2324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 4.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -2.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 -2.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -3.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -4.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -3.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -4.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 2.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 4.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 2.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 5.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9862 3.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 5.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 5.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1802 1.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 3.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 5.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 6.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9862 1.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9862 -0.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 0.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 -0.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7182 4.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9632 -1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -1.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 -1.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2498 -1.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 -3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -4.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 -5.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 -4.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 31 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 8 4 1 6 0 0 0 4 40 1 0 0 0 0 9 5 1 1 0 0 0 5 41 1 0 0 0 0 11 6 1 6 0 0 0 6 42 1 0 0 0 0 7 14 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 1 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 1 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$ D00094 -OEChem-05072121442D 79 84 0 1 0 0 0 0 0999 V2000 2.8660 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.9453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -4.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1491 0.4221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3535 1.5027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7440 1.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4883 2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -1.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -2.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 -0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5010 -1.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8117 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1689 -1.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7902 -0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1439 0.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -1.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -1.9074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 -3.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 -0.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6259 -2.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 -0.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -4.8281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -5.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9763 -2.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 0.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -5.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 -4.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -3.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5614 -2.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0647 -0.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 1.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 25 1 0 0 0 0 5 38 1 0 0 0 0 6 28 2 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 11 1 0 0 0 0 9 44 2 0 0 0 0 10 12 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 79 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 26 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 32 1 0 0 0 0 22 59 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 35 1 0 0 0 0 30 62 1 0 0 0 0 31 36 2 0 0 0 0 31 63 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 42 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 44 1 0 0 0 0 40 43 1 0 0 0 0 40 72 1 0 0 0 0 41 45 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 45 2 0 0 0 0 43 77 1 0 0 0 0 45 78 1 0 0 0 0 M END $$$$ D00095 -OEChem-05072121442D 47 48 0 1 0 0 0 0 0999 V2000 2.4888 -0.0429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -3.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -3.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -5.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 0.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -3.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7208 -4.5817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 -3.0429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -4.5817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -5.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -1.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 5.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -3.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -4.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -2.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -4.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -5.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 -5.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -5.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -5.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 -1.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 3.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 4.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 4.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 3.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 6.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 5.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1649 2.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5635 3.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9949 5.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2219 6.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 6.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 11 3 1 1 0 0 0 3 33 1 0 0 0 0 12 4 1 1 0 0 0 4 34 1 0 0 0 0 5 17 2 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 24 2 0 0 0 0 13 8 1 6 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 17 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 24 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 6 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$ D00096 -OEChem-05072121442D 29 29 0 1 0 0 0 0 0999 V2000 2.0000 -1.9594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2320 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4921 1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 1.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 10 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END $$$$ D00097 -OEChem-05072121442D 30 32 0 0 0 0 0 0 0999 V2000 5.7490 -1.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -1.5353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 1.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 2.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 2.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -0.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 2.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 2.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -0.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 1.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -2.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -1.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$ D00098 -OEChem-05072121442D 30 30 0 1 0 0 0 0 0999 V2000 3.6350 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 0.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 0.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 1 0 0 0 5 22 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 M END $$$$ D00099 -OEChem-05072121442D 51 51 0 1 0 0 0 0 0999 V2000 9.1360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2700 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 27 1 0 0 0 0 3 50 1 0 0 0 0 4 28 1 0 0 0 0 4 51 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 23 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 22 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 M END $$$$ D00100 -OEChem-05072121452D 60 62 0 0 0 0 0 0 0999 V2000 2.0000 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 26 1 0 0 0 0 3 20 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 20 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 M END $$$$ D00101 -OEChem-05072121452D 42 41 0 1 0 0 0 0 0999 V2000 7.7331 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5010 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 0.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -1.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 0.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 2.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 0.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D00102 -OEChem-05072121452D 31 33 0 1 0 0 0 0 0999 V2000 2.0000 -1.7403 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.0258 -0.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7431 -1.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 1.1203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3717 -0.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3764 0.2078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6962 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 -0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6818 1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -0.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0484 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 0.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8809 1.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8717 1.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4903 -1.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 1.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2722 0.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8711 1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 1.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 0.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 -0.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$ D00103 -OEChem-05072121452D 56 59 0 1 0 0 0 0 0999 V2000 5.3923 2.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -3.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 -3.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 5.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -0.9981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 5.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 5.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 0.7002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0528 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 -0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7739 -4.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 -5.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4538 -5.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -6.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 -6.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1329 -4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 6.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -0.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 0.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 5.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 5.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4654 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 4.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -2.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 -1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 4.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -2.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -3.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 -5.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -5.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 -6.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -6.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -3.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -4.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2547 -4.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 49 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 15 1 0 0 0 0 10 18 2 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$ D00104 -OEChem-05072121452D 38 40 0 1 0 0 0 0 0999 V2000 2.0000 0.9746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 -2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9506 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1241 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 -2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 -0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 12 2 0 0 0 0 4 16 2 0 0 0 0 5 18 1 0 0 0 0 5 35 1 0 0 0 0 6 18 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 11 8 1 1 0 0 0 8 16 1 0 0 0 0 8 27 1 0 0 0 0 17 9 1 1 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 6 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$ D00105 -OEChem-05072121452D 42 44 0 1 0 0 0 0 0999 V2000 3.7320 -1.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 -2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9506 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1241 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 -2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2874 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 16 2 0 0 0 0 4 18 1 0 0 0 0 4 37 1 0 0 0 0 5 18 2 0 0 0 0 6 25 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 11 8 1 1 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 19 9 1 1 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 6 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$ D00106 -OEChem-05072121452D 39 41 0 1 0 0 0 0 0999 V2000 4.5981 -0.8174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4322 -1.3130 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 0.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -2.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 -1.0301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 -2.4472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 -0.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 0.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 -0.3215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 0.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 -0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 -1.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 -0.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4612 -3.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4185 0.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5853 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 14 9 1 1 0 0 0 9 20 1 0 0 0 0 9 29 1 0 0 0 0 10 22 2 0 0 0 0 11 24 1 0 0 0 0 11 26 2 0 0 0 0 12 26 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 6 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 25 36 1 0 0 0 0 M END $$$$ D00107 -OEChem-05072121452D 69 72 0 1 0 0 0 0 0999 V2000 6.3582 -2.2570 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -2.3448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1923 -2.7526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9381 -0.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1654 -1.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 2.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -4.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 4.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -0.7570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9381 -2.4697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3494 -3.8868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 -1.7317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5664 -1.0103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -1.7570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2325 -1.7611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2325 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9046 -2.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 -2.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9562 4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 -2.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 3.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4562 5.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4562 3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3525 -3.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9355 -1.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -5.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4425 -2.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9934 -2.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8815 -1.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -2.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 -3.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 2.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6136 2.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1323 4.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3592 5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5122 5.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9932 5.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1462 5.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9193 4.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9193 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3188 -3.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -2.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -3.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5236 -4.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9604 -5.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7207 -5.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1786 -1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3454 -0.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 40 1 0 0 0 0 3 37 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 28 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 0 0 0 0 10 32 2 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 18 12 1 1 0 0 0 12 25 1 0 0 0 0 12 46 1 0 0 0 0 13 26 2 0 0 0 0 14 31 1 0 0 0 0 14 39 2 0 0 0 0 15 36 1 0 0 0 0 15 40 2 0 0 0 0 16 39 1 0 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 6 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 31 1 0 0 0 0 27 30 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 31 37 2 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 38 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 40 64 1 0 0 0 0 41 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 M END $$$$ D00108 -OEChem-05072121452D 45 47 0 1 0 0 0 0 0999 V2000 4.5981 0.4227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4322 -0.0729 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 2.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4053 1.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -1.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -4.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0342 -2.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 0.2099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 -1.2072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1769 0.9479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 1.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 0.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1445 0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8501 -0.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8166 0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 -0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3621 -2.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0677 -3.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 0.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 0.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5587 -1.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8007 -2.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0054 -2.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4185 1.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5853 2.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2444 -4.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 39 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 45 1 0 0 0 0 9 30 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 16 11 1 1 0 0 0 11 22 1 0 0 0 0 11 33 1 0 0 0 0 12 24 2 0 0 0 0 13 26 1 0 0 0 0 13 28 2 0 0 0 0 14 28 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 6 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 27 40 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M END $$$$ D00109 -OEChem-05072121452D 45 47 0 1 0 0 0 0 0999 V2000 5.4641 -0.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2983 -1.1296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 1.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4889 -2.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 -0.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4554 -2.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0429 -0.1087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 0.6127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3384 -0.1381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3384 0.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 -1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6826 -1.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4585 -1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0414 -0.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2281 -3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9115 0.0986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8824 -1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2845 0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4513 1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6296 -3.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 -4.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8267 -3.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 25 1 0 0 0 0 5 21 1 0 0 0 0 5 36 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 15 10 1 1 0 0 0 10 22 1 0 0 0 0 10 33 1 0 0 0 0 11 23 2 0 0 0 0 12 24 1 0 0 0 0 12 27 2 0 0 0 0 13 27 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 6 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 26 2 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$ D00110 -OEChem-05072121452D 46 48 0 1 0 0 0 0 0999 V2000 5.4641 -1.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5820 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4554 -2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3384 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3384 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6826 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9434 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9099 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3547 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6155 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9115 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8824 -1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 -2.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8929 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8562 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5059 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2266 -2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0716 0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7922 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0195 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 16 2 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 17 2 0 0 0 0 6 27 1 0 0 0 0 6 46 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 11 8 1 1 0 0 0 8 16 1 0 0 0 0 8 30 1 0 0 0 0 18 9 1 1 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 6 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$ D00111 -OEChem-05072121452D 41 43 0 1 0 0 0 0 0999 V2000 2.8660 -0.2063 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4434 0.2646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 2.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -3.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -3.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8604 -1.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6330 -1.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7403 0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7403 1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4124 -0.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 -0.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0846 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 -2.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4448 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7002 -0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -0.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 -0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2843 -1.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 -2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -2.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1082 0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 -0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7288 -1.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 -3.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 20 1 0 0 0 0 4 35 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 27 1 0 0 0 0 7 41 1 0 0 0 0 8 27 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 14 10 1 1 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 22 1 0 0 0 0 11 26 2 0 0 0 0 12 26 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 6 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END $$$$ D00113 -OEChem-05072121452D 40 42 0 0 0 0 0 0 0999 V2000 3.8968 -2.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.0122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.6644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 3.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 2.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 -0.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 -0.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 0.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 1.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3599 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 M END $$$$ D00114 -OEChem-05072121452D 41 43 0 1 0 0 0 0 0999 V2000 3.7320 -1.0254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5393 -0.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -1.2381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 -2.6553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 -0.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6064 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 -1.6899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9506 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6562 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 -0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6227 -1.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1778 -0.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 -0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3673 -1.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -1.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1241 -2.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 -2.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 -0.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3395 0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 -0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 11 2 0 0 0 0 3 15 2 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 10 7 1 1 0 0 0 7 15 1 0 0 0 0 7 27 1 0 0 0 0 18 8 1 1 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$ D00115 -OEChem-05072121452D 74 77 0 0 0 0 0 0 0999 V2000 8.9282 4.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 48 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 54 1 0 0 0 0 8 29 1 0 0 0 0 8 33 1 0 0 0 0 8 70 1 0 0 0 0 9 25 1 0 0 0 0 9 33 2 0 0 0 0 10 25 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 55 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 56 1 0 0 0 0 26 29 1 0 0 0 0 26 32 2 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 34 2 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 35 1 0 0 0 0 32 69 1 0 0 0 0 33 37 1 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 38 2 0 0 0 0 38 74 1 0 0 0 0 M END $$$$ D00116 -OEChem-05072121452D 52 54 0 1 0 0 0 0 0999 V2000 2.0000 -5.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 52 1 0 0 0 0 4 27 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$ D00117 -OEChem-05072121452D 30 32 0 1 0 0 0 0 0999 V2000 2.0000 -1.3429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5883 -1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7350 1.3984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -0.1595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4762 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 0.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8751 -0.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4984 2.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 0.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 2.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 -0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -1.7655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0971 -2.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 0.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 1.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1757 0.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6802 -0.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 -0.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 2.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7279 0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 1.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 2.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1012 3.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0678 0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -0.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 -2.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 -2.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -3.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 2 1 1 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 1 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END $$$$ D00118 -OEChem-05072121452D 68 71 0 1 0 0 0 0 0999 V2000 7.9506 -3.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.0226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.5226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.2821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -2.5710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.5641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -2.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 3.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 1 61 1 0 0 0 0 24 2 1 6 0 0 0 2 65 1 0 0 0 0 3 28 1 0 0 0 0 3 68 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 6 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 6 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 33 1 1 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 6 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END $$$$ D00119 -OEChem-05072121452D 38 38 0 0 0 0 0 0 0999 V2000 2.8660 4.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 4.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 4.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 38 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 17 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 M END $$$$ D00120 -OEChem-05072121452D 35 37 0 1 0 0 0 0 0999 V2000 7.6574 0.3068 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 0.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 0.1837 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2115 -1.8408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 -2.4001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8873 0.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8873 -1.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 1.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 -1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6121 2.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9235 3.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8801 0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8801 -2.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 1.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 1.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 -1.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 2.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 3.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 3.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -3.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2049 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -3.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 11 2 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$ D00121 -OEChem-05072121452D 48 49 0 1 0 0 0 0 0999 V2000 2.0000 -4.0068 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2622 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 1.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -1.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 -0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 3.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 4.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 4.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 17 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 M END $$$$ D00122 -OEChem-05072121452D 23 24 0 0 0 0 0 0 0999 V2000 3.4030 1.2327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -1.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 17 2 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 21 1 0 0 0 0 M END $$$$ D00123 -OEChem-05072121452D 38 39 0 1 0 0 0 0 0999 V2000 4.5981 -3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 2 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$ D00124 -OEChem-05072121452D 40 42 0 0 0 0 0 0 0999 V2000 8.1962 -0.9585 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.9827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 1.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0121 2.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 2.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 18 2 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$ D00125 -OEChem-05072121452D 30 30 0 0 0 0 0 0 0999 V2000 3.0000 -4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ D00126 -OEChem-05072121452D 33 35 0 1 0 0 0 0 0999 V2000 7.9184 2.4528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 0.4634 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 1.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 1.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 -0.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -0.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 1.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 1.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 2.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 0.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1006 -0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 13 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$ D00127 -OEChem-05072121452D 15 16 0 0 0 0 0 0 0999 V2000 2.0000 0.8030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 11 15 1 0 0 0 0 M END $$$$ D00128 -OEChem-05072121452D 72 74 0 1 0 0 0 0 0999 V2000 2.0000 -4.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.4582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.4087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 4.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 5.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 1.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 2.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9896 4.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3963 3.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 3.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6025 3.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 4.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8845 5.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 5.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 5.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 5.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 6 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 6 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 30 1 6 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 6 0 0 0 8 37 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 18 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 2 0 0 0 0 18 55 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 27 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 M END $$$$ D00129 -OEChem-05072121452D 54 57 0 0 0 0 0 0 0999 V2000 7.9160 1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1782 -0.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 0.4153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 0.2111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.8196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 -0.1315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 -0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 -1.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1684 0.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 -1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 -0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 -1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 1.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5801 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 1.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5801 0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3121 1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6861 1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3121 0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6861 -0.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 -0.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 -0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -1.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6584 0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 0.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -2.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -2.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4829 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2395 -0.0988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3168 -1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8523 2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0552 2.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7127 0.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5843 2.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 2.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6477 0.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 0.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0476 2.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9227 1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5242 1.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6933 2.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4461 -0.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6933 -0.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2443 0.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 25 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$ D00130 -OEChem-05072121452D 33 33 0 0 0 0 0 0 0999 V2000 3.5665 -1.0999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 -4.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 1.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 -2.8225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 2.4497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 4.9813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 -2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -4.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4647 0.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -0.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 1.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 -4.9813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 1.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -3.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -4.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -4.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6462 -3.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8578 3.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0392 3.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 8 1 0 0 0 0 4 14 2 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 17 3 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END $$$$ D00131 -OEChem-05072121452D 48 50 0 1 0 0 0 0 0999 V2000 4.0000 -4.0173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.0173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5981 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 2.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2241 5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 4.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -0.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 0.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0201 0.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 1.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 2.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 4.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 5.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 3.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6659 4.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 5 4 1 1 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 22 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END $$$$ D00132 -OEChem-05072121452D 42 45 0 0 0 0 0 0 0999 V2000 4.2639 1.4572 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -0.5911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 1.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 -1.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 -2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1864 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 -1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 0.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -1.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 -0.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -0.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -2.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 23 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$ D00133 -OEChem-05072121452D 45 47 0 1 0 0 0 0 0999 V2000 9.6504 1.8609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 1.8378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.4846 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1030 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2204 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 -0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9276 1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8404 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 2.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 1.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 0.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -2.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -2.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 1.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1969 -0.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8638 2.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 2.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 3.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 2.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$ D00134 -OEChem-05072121452D 121123 0 1 0 0 0 0 0999 V2000 5.4641 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -3.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 4.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 3.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 3.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 4.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -3.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 -4.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -4.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9965 4.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 4.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 1.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7745 1.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 4.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -5.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 22 1 1 1 0 0 0 18 2 1 1 0 0 0 25 2 1 6 0 0 0 17 3 1 6 0 0 0 3 46 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 27 7 1 6 0 0 0 7 52 1 0 0 0 0 26 8 1 6 0 0 0 8106 1 0 0 0 0 30 9 1 6 0 0 0 9107 1 0 0 0 0 32 10 1 6 0 0 0 10108 1 0 0 0 0 34 11 1 6 0 0 0 11109 1 0 0 0 0 12 35 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 1 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 6 0 0 0 20 58 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 6 0 0 0 21 59 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 33 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 36 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 43 1 6 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 36 47 1 1 0 0 0 36 77 1 0 0 0 0 37 48 1 1 0 0 0 37 78 1 0 0 0 0 38 45 1 1 0 0 0 38 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 51 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 M END $$$$ D00135 -OEChem-05072121452D 50 52 0 1 0 0 0 0 0999 V2000 3.0000 -3.6574 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 2.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 2.0747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5933 2.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 3.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 3.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0000 -0.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3377 1.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 3.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 2.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 4.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8757 4.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7921 2.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 3.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 0.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 0.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 1.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 1.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 1.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 0.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 1.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 11 2 1 6 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 18 45 1 0 0 0 0 19 23 2 0 0 0 0 19 46 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 24 50 1 0 0 0 0 M END $$$$ D00136 -OEChem-05072121452D 60 61 0 1 0 0 0 0 0999 V2000 2.8940 -1.6302 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -1.6302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -4.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -3.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.4576 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6261 -0.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.4086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 0.8698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5691 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6261 -1.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4921 -3.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8479 3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -3.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7601 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -3.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2242 -2.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7601 -2.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 4.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 4.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 3.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 2.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2282 -2.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 2.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 3.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -3.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 4.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 3.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -4.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -4.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5305 4.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 5.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 5.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 -3.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 6 0 0 0 21 2 1 6 0 0 0 2 27 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 16 4 1 1 0 0 0 4 52 1 0 0 0 0 18 5 1 1 0 0 0 5 53 1 0 0 0 0 20 6 1 6 0 0 0 6 57 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 15 9 1 1 0 0 0 9 19 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 6 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 1 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 6 0 0 0 15 22 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 24 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 M END $$$$ D00137 -OEChem-05072121452D 34 36 0 0 0 0 0 0 0999 V2000 7.0444 0.0492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 0.1486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -2.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -1.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 1.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 3.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$ D00138 -OEChem-05072121452D 57 59 0 0 0 0 0 0 0999 V2000 4.5981 4.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 9 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 14 16 2 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 23 2 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$ D00139 -OEChem-05072121452D 45 47 0 0 0 0 0 0 0999 V2000 2.0000 0.2348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8817 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0352 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2677 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4956 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0329 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9797 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3231 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4597 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6371 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0356 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8902 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1367 3.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4857 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9069 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2897 -2.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5166 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END $$$$ D00140 -OEChem-05072121452D 32 34 0 0 0 0 0 0 0999 V2000 5.5096 0.5528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 -0.6327 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0405 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 -0.1360 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3802 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -1.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 18 1 0 0 0 0 11 19 2 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$ D00141 -OEChem-05072121452D 23 24 0 0 0 0 0 0 0999 V2000 2.0000 -0.4547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 2.0398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.6386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 2.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 2.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5956 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6823 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 M END $$$$ D00142 -OEChem-05072121452D 37 39 0 1 0 0 0 0 0999 V2000 2.8660 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.0547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 1 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$ D00143 -OEChem-05072121452D 33 35 0 1 0 0 0 0 0999 V2000 8.9747 -0.1360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 -2.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5288 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7513 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1106 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7069 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2408 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1964 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6464 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5219 2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3343 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 19 1 0 0 0 0 3 33 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 16 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END $$$$ D00145 -OEChem-05072121452D 42 45 0 0 0 0 0 0 0999 V2000 8.7204 -1.2603 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 0.5044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 2.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -0.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -2.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -1.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 2.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 3.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 3.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -3.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -3.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -3.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -2.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 36 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$ D00146 -OEChem-05072121452D 107111 0 1 0 0 0 0 0999 V2000 9.6448 3.6239 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 -1.6192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 4.2820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 -0.0101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.2125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 4.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5516 5.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 5.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -4.1048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -4.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -6.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1046 2.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6109 4.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1627 5.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4813 6.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4654 6.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5994 6.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4622 5.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3040 0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 -0.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 50 1 0 0 0 0 2 54 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 34 1 0 0 0 0 5 46 1 0 0 0 0 6 33 2 0 0 0 0 7 34 2 0 0 0 0 15 8 1 6 0 0 0 8 24 1 0 0 0 0 8 68 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 18 10 1 1 0 0 0 10 34 1 0 0 0 0 10 75 1 0 0 0 0 19 11 1 6 0 0 0 11 33 1 0 0 0 0 11 80 1 0 0 0 0 12 33 1 0 0 0 0 12 42 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 48 2 0 0 0 0 14 53 1 0 0 0 0 14 54 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 23 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 19 61 1 0 0 0 0 20 27 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 22 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 30 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 25 28 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 26 29 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 31 81 1 0 0 0 0 32 38 2 0 0 0 0 32 82 1 0 0 0 0 35 40 1 0 0 0 0 35 83 1 0 0 0 0 36 41 2 0 0 0 0 36 84 1 0 0 0 0 37 39 2 0 0 0 0 37 85 1 0 0 0 0 38 39 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 40 43 2 0 0 0 0 40 90 1 0 0 0 0 41 43 1 0 0 0 0 41 91 1 0 0 0 0 42 45 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 45 47 2 0 0 0 0 46 50 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 98 1 0 0 0 0 48 49 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 99 1 0 0 0 0 50 53 2 0 0 0 0 51100 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 52103 1 0 0 0 0 52104 1 0 0 0 0 52105 1 0 0 0 0 53106 1 0 0 0 0 54107 1 0 0 0 0 M END $$$$ D00147 -OEChem-05072121452D 51 54 0 1 0 0 0 0 0999 V2000 12.1847 2.8057 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 -0.1943 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 -2.1943 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 2.8057 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -2.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 0.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -0.6943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.1766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 0.8057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 -1.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 -1.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1566 -0.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9886 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 -0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8546 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 -0.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 -2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5866 2.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 2.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3187 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3187 2.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 0.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 -2.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4626 -1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 -2.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 0.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -1.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 -2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 0.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 0.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 -0.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 -2.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3176 -2.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 -2.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1837 1.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 0.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4526 3.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8556 0.9957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 45 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 1 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$ D00148 -OEChem-05072121452D 43 47 0 1 0 0 0 0 0999 V2000 2.2314 -0.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.1411 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.6655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.1411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3370 -0.6655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.1411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5133 -2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -1.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 0.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -2.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -3.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 14 2 1 6 0 0 0 2 40 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 1 0 0 0 7 11 1 0 0 0 0 7 24 1 6 0 0 0 8 14 1 0 0 0 0 8 25 1 1 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D00149 -OEChem-05072121452D 54 56 0 1 0 0 0 0 0999 V2000 5.3788 -2.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9077 -2.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 -0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 1.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 3.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 2.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 1.3783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8786 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2796 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3786 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 -1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1491 -0.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1408 -2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 -1.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 3.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 -0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 -4.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 1.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4372 1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 1.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0607 0.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 1.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 2.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7046 -0.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3652 1.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -1.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6097 -1.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1327 4.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 4.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0155 3.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6749 -3.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -3.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9102 -3.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5351 -4.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -3.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0781 -2.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 -1.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 -1.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -1.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 -2.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 24 1 0 0 0 0 4 29 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 8 7 1 1 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$ D00150 -OEChem-05072121462D 106101 0 1 0 0 0 0 0999 V2000 8.2471 2.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 8.3260 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 9.6131 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 5.7690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3312 6.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 10.2919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 14.0319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 6.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 5.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 6.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 6.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 5.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 6.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 5.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 5.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 0.8660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.7953 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 6.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2471 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 10.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 5.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 9.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 13.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 14.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 13.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7365 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6025 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2656 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 5.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 4.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 6.9450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 7.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 6.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 4.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3059 5.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1316 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9976 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 6.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7297 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9326 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9976 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7987 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1316 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4617 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2656 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 10.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 6.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5307 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3278 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6025 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7987 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 5.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6747 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1053 9.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3322 10.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4853 10.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 10.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6957 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2208 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0632 6.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 1.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 0.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8705 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 9.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 10.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 5.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 6.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 10.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 9.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3346 13.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1316 13.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 14.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 13.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 14.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 12.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 13.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2106 1 0 0 0 0 4 28 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 6 75 1 0 0 0 0 7 26 1 0 0 0 0 7 32 1 0 0 0 0 7 86 1 0 0 0 0 8 37 1 0 0 0 0 8102 1 0 0 0 0 8103 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 21 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 22 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 23 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 24 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 26 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 29 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 31 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 28 82 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 31 35 2 0 0 0 0 31 89 1 0 0 0 0 32 34 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 90 1 0 0 0 0 33 91 1 0 0 0 0 34 36 2 0 0 0 0 34 94 1 0 0 0 0 35 95 1 0 0 0 0 35 96 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 38 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38 39 2 0 0 0 0 38101 1 0 0 0 0 39104 1 0 0 0 0 39105 1 0 0 0 0 M CHG 2 3 -1 5 1 M END $$$$ D00151 -OEChem-05252109502D 38 36 0 0 0 0 0 0 0999 V2000 5.2331 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 M END $$$$ D00152 -OEChem-05072121462D 59 62 0 1 0 0 0 0 0999 V2000 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 1.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9586 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0973 2.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2315 2.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 51 1 0 0 0 0 2 17 2 0 0 0 0 3 22 2 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 6 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 1 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 1 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 32 1 6 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 1 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$ D00153 -OEChem-05252109482D 53 56 0 0 0 0 0 0 0999 V2000 2.0000 0.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5047 2.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.9944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -0.2081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9643 1.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5824 1.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 2.5332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2734 2.5332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 -1.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4557 2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 -3.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -2.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 0.9944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5444 -0.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 1.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 1.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -1.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6794 -2.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 -2.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0796 -1.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 2.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 1.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -3.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -3.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1496 -3.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3704 -1.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 3.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 -0.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 -1.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9089 3.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 49 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 9 2 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 29 2 0 0 0 0 6 8 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 53 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 23 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$ D00154 -OEChem-05072121462D 52 55 0 1 0 0 0 0 0999 V2000 7.4888 3.5047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0246 3.5047 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 5.5047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.1977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.9383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -1.3317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -0.4953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.0047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -1.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 2.5047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4888 0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 3.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 2.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 4.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 4.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 5.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 5.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 5.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -2.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 -4.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 -3.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -2.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -3.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 -5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -4.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -3.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 -4.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -5.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 0.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -1.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 1.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5807 2.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 1.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 1.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 5.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 0.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 6.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 22 4 1 6 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 40 1 0 0 0 0 7 17 2 0 0 0 0 8 20 2 0 0 0 0 8 23 1 0 0 0 0 9 23 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 49 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$ D00156 -OEChem-05072121462D 42 44 0 0 0 0 0 0 0999 V2000 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4199 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 8 1 0 0 0 0 3 12 2 0 0 0 0 4 9 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$ D00157 -OEChem-05072121462D 29 29 0 1 0 0 0 0 0999 V2000 5.0000 -2.7320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.7321 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.8660 1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3985 3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 -1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$ D00158 -OEChem-05072121462D 13 13 0 1 0 0 0 0 0999 V2000 4.5691 -0.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 1.2007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.3917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2601 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 0.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 0.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 5 4 1 6 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ D00159 -OEChem-05072121462D 196196 0 1 0 0 0 0 0999 V2000 9.1236 -5.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 -4.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 -3.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6361 -0.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2259 -4.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4683 3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 6.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 -2.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1476 7.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 0.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4222 6.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -3.2509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -4.0859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3372 -1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7590 1.9227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 -3.2509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0706 6.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 4.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 1.9227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -1.0110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5278 4.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0344 6.2211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5075 -3.7091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8372 -1.8770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5570 -3.9909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8791 -4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3678 -4.9728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6518 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7129 -5.7285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5480 -3.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1824 -2.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8066 0.9238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6473 -2.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6643 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8055 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5976 -3.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -6.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 -4.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2610 -5.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6943 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 -5.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -5.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2469 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0627 -3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2273 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9227 -2.6328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3010 5.3088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5233 2.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 6.4104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5356 0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7419 2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5818 2.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3851 -7.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7489 2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 6.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9575 7.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1079 3.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6368 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2326 -3.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 5.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3729 8.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 -1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0525 6.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 -0.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0545 7.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2984 0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9628 5.8494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9739 4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -8.3743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 7.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 -4.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7928 9.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3684 8.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 5.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3562 2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4210 6.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 -9.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0884 -3.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4431 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0664 -4.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2655 -4.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9537 -4.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1411 -2.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8685 -1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2450 1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2876 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5660 0.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6737 1.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -7.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5818 -6.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7807 -5.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4827 -4.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 -4.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7736 -5.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8777 -5.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7483 -5.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2454 1.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4154 -4.4274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2722 -4.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4585 -3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 -4.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1222 -5.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 -6.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -5.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5525 -5.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1725 -5.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9893 -1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8108 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5044 -0.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4987 -3.7193 0.0000 H 0 0 0 0 0 0 0 0 0 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0 0 0 2.1251 1.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 1.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 2.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 1.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -0.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 -1.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9721 6.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 7.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 7.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 -8.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -9.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5259 -9.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 6 0 0 0 1127 1 0 0 0 0 2 31 2 0 0 0 0 3 32 2 0 0 0 0 4 35 2 0 0 0 0 5 37 2 0 0 0 0 6 50 2 0 0 0 0 7 62 2 0 0 0 0 8 64 2 0 0 0 0 9 66 2 0 0 0 0 10 67 2 0 0 0 0 11 71 2 0 0 0 0 12 79 2 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 42 1 0 0 0 0 14 26 1 0 0 0 0 14 31 1 0 0 0 0 14 44 1 0 0 0 0 15 25 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 33 1 0 0 0 0 16 50 1 0 0 0 0 16 56 1 0 0 0 0 17 37 1 0 0 0 0 17 48 1 0 0 0 0 17125 1 0 0 0 0 18 51 1 0 0 0 0 18 62 1 0 0 0 0 18 75 1 0 0 0 0 19 49 1 0 0 0 0 19 66 1 0 0 0 0 19151 1 0 0 0 0 20 54 1 0 0 0 0 20 71 1 0 0 0 0 20 82 1 0 0 0 0 21 64 1 0 0 0 0 21 68 1 0 0 0 0 21 83 1 0 0 0 0 22 59 1 0 0 0 0 22 79 1 0 0 0 0 22154 1 0 0 0 0 23 67 1 0 0 0 0 23 72 1 0 0 0 0 23172 1 0 0 0 0 24 27 1 1 0 0 0 24 31 1 0 0 0 0 24 86 1 0 0 0 0 25 29 1 1 0 0 0 25 32 1 0 0 0 0 25 87 1 0 0 0 0 26 28 1 0 0 0 0 26 37 1 0 0 0 0 26 88 1 6 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 89 1 0 0 0 0 28 30 1 0 0 0 0 28 90 1 0 0 0 0 29 34 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 38 1 0 0 0 0 30 43 1 1 0 0 0 30 93 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 1 0 0 0 33 94 1 0 0 0 0 34 46 1 0 0 0 0 34 47 1 0 0 0 0 34 95 1 0 0 0 0 36 41 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 38 55 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 39102 1 0 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 41 52 1 0 0 0 0 41 53 1 0 0 0 0 41106 1 0 0 0 0 42107 1 0 0 0 0 42108 1 0 0 0 0 42109 1 0 0 0 0 43110 1 0 0 0 0 43111 1 0 0 0 0 43112 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 44115 1 0 0 0 0 45116 1 0 0 0 0 45117 1 0 0 0 0 45118 1 0 0 0 0 46119 1 0 0 0 0 46120 1 0 0 0 0 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 47124 1 0 0 0 0 48 61 1 1 0 0 0 48 64 1 0 0 0 0 48126 1 0 0 0 0 49 57 1 1 0 0 0 49 62 1 0 0 0 0 49128 1 0 0 0 0 50 59 1 0 0 0 0 51 58 1 1 0 0 0 51 67 1 0 0 0 0 51129 1 0 0 0 0 52131 1 0 0 0 0 52132 1 0 0 0 0 52133 1 0 0 0 0 53134 1 0 0 0 0 53135 1 0 0 0 0 53136 1 0 0 0 0 54 60 1 1 0 0 0 54 66 1 0 0 0 0 54130 1 0 0 0 0 55 74 2 0 0 0 0 55137 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 56140 1 0 0 0 0 57 69 1 0 0 0 0 57 70 1 0 0 0 0 57141 1 0 0 0 0 58 63 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59 73 1 6 0 0 0 59144 1 0 0 0 0 60 65 1 0 0 0 0 60145 1 0 0 0 0 60146 1 0 0 0 0 61 76 1 0 0 0 0 61147 1 0 0 0 0 61148 1 0 0 0 0 63 77 1 0 0 0 0 63 78 1 0 0 0 0 63149 1 0 0 0 0 65 80 1 0 0 0 0 65 81 1 0 0 0 0 65150 1 0 0 0 0 68 71 1 0 0 0 0 68152 1 0 0 0 0 68153 1 0 0 0 0 69155 1 0 0 0 0 69156 1 0 0 0 0 69157 1 0 0 0 0 70158 1 0 0 0 0 70159 1 0 0 0 0 70160 1 0 0 0 0 72 79 1 0 0 0 0 72 84 1 1 0 0 0 72161 1 0 0 0 0 73162 1 0 0 0 0 73163 1 0 0 0 0 73164 1 0 0 0 0 74 85 1 0 0 0 0 74165 1 0 0 0 0 75166 1 0 0 0 0 75167 1 0 0 0 0 75168 1 0 0 0 0 76169 1 0 0 0 0 76170 1 0 0 0 0 76171 1 0 0 0 0 77173 1 0 0 0 0 77174 1 0 0 0 0 77175 1 0 0 0 0 78176 1 0 0 0 0 78177 1 0 0 0 0 78178 1 0 0 0 0 80179 1 0 0 0 0 80180 1 0 0 0 0 80181 1 0 0 0 0 81182 1 0 0 0 0 81183 1 0 0 0 0 81184 1 0 0 0 0 82185 1 0 0 0 0 82186 1 0 0 0 0 82187 1 0 0 0 0 83188 1 0 0 0 0 83189 1 0 0 0 0 83190 1 0 0 0 0 84191 1 0 0 0 0 84192 1 0 0 0 0 84193 1 0 0 0 0 85194 1 0 0 0 0 85195 1 0 0 0 0 85196 1 0 0 0 0 M END $$$$ D00160 -OEChem-05072121462D 43 46 0 0 0 0 0 0 0999 V2000 4.8830 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D00161 -OEChem-05072121462D 11 10 0 0 0 0 0 0 0999 V2000 2.5369 0.5600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ D00162 -OEChem-05072121462D 87 90 0 0 0 0 0 0 0999 V2000 17.0920 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0920 -0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 1.4028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.2067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5920 -1.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5920 0.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5920 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0920 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5920 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0920 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0920 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5920 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5920 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 0.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4843 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1746 -2.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4843 -2.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5094 -3.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1997 -4.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0094 -3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6997 -3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 2.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5117 2.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 2.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6746 -3.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9843 -3.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 -0.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6746 -1.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9843 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0551 -4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9020 -5.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1289 -4.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2820 1.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 1.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2820 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 4.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2120 0.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 41 1 0 0 0 0 2 26 2 0 0 0 0 3 39 1 0 0 0 0 3 45 1 0 0 0 0 4 39 2 0 0 0 0 5 41 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 32 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 0 0 0 0 9 63 1 0 0 0 0 10 32 1 0 0 0 0 10 43 2 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 79 1 0 0 0 0 12 40 2 0 0 0 0 12 84 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 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0 0 0 0 M END $$$$ D00163 -OEChem-05072121462D 55 58 0 0 0 0 0 0 0999 V2000 5.9641 3.4604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9216 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 1.2222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 1.5823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 -0.0650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 5.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 4.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 3.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3831 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 5.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 5.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 4.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 4.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6869 5.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8209 5.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2029 4.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 3.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9317 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 3.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3791 2.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -0.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1303 -0.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 28 1 0 0 0 0 3 21 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 23 1 0 0 0 0 9 46 1 0 0 0 0 10 22 2 0 0 0 0 10 32 1 0 0 0 0 11 31 1 0 0 0 0 11 32 2 0 0 0 0 12 32 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 31 2 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 33 1 0 0 0 0 30 34 2 0 0 0 0 31 50 1 0 0 0 0 33 35 2 0 0 0 0 33 51 1 0 0 0 0 34 35 1 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M END $$$$ D00164 -OEChem-05072121462D 104109 0 1 0 0 0 0 0999 V2000 3.7827 4.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -5.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 8.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5383 -5.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 8.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3573 -6.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 5.1621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7859 -7.4847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 2.4509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 -5.7246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 3.4020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -6.6757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 6.7582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 -5.9712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 4.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7859 -7.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7859 4.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -8.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 5.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -9.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 5.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 -8.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 3.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 -6.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5258 5.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -6.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 6.4492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3682 -6.7802 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0611 7.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -7.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 1.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -5.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 8.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 6.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 -7.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1872 -8.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 2.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 -5.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -4.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 7.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 -6.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 -3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 0.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 -2.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5642 -0.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 -5.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9464 4.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1718 -6.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7211 3.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3924 4.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -8.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 -8.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 4.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 5.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 -9.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 -9.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 6.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 6.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 -8.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6613 -8.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 6.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9848 -6.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 7.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1584 -7.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 2.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -5.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 6.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7038 -5.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4596 8.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 8.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2467 7.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8206 6.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 6.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 7.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7047 -8.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3861 -7.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8343 -7.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -8.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8228 -9.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6888 -8.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 2.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 -5.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -3.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 0.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -3.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -0.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -2.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -0.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2952 -2.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 9.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 9.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 8.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4680 -5.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1494 -5.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5977 -4.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 26 2 0 0 0 0 3 41 1 0 0 0 0 3 53 1 0 0 0 0 4 42 1 0 0 0 0 4 54 1 0 0 0 0 5 41 2 0 0 0 0 6 42 2 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 23 1 0 0 0 0 9 31 1 0 0 0 0 9 73 1 0 0 0 0 10 24 1 0 0 0 0 10 32 1 0 0 0 0 10 74 1 0 0 0 0 11 23 2 0 0 0 0 11 37 1 0 0 0 0 12 24 2 0 0 0 0 12 38 1 0 0 0 0 27 13 1 1 0 0 0 13 41 1 0 0 0 0 13 75 1 0 0 0 0 28 14 1 1 0 0 0 14 42 1 0 0 0 0 14 76 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 15 55 1 6 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 16 56 1 6 0 0 0 17 19 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 71 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 30 72 1 0 0 0 0 31 37 2 0 0 0 0 31 39 1 0 0 0 0 32 38 2 0 0 0 0 32 40 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 39 43 2 0 0 0 0 39 45 1 0 0 0 0 40 44 2 0 0 0 0 40 46 1 0 0 0 0 43 49 1 0 0 0 0 43 91 1 0 0 0 0 44 50 1 0 0 0 0 44 92 1 0 0 0 0 45 51 2 0 0 0 0 45 93 1 0 0 0 0 46 52 2 0 0 0 0 46 94 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 47 51 1 0 0 0 0 48 50 2 0 0 0 0 48 52 1 0 0 0 0 49 95 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 52 98 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 54102 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 M END $$$$ D00165 -OEChem-05072121462D 52 56 0 1 0 0 0 0 0999 V2000 8.7316 -1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 2.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0356 0.4149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0436 -0.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1256 0.9218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2596 0.4218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3935 0.9218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1415 -1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0316 -0.9365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2435 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0187 0.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1256 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 -0.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 1.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0513 -1.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2596 2.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 -1.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 2.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5935 1.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6607 -2.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1157 1.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8584 1.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9924 -0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 -1.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6343 -0.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 -1.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5537 1.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 1.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7362 1.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0971 -0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0907 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4313 -1.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 -2.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6713 -1.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 2.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 2.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -0.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.0827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7735 -0.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 -0.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 -0.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 3.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1508 -2.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 -0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1657 -2.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 1 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 6 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 6 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 1 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 6 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 25 3 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 M END $$$$ D00166 -OEChem-05072121462D 33 35 0 0 0 0 0 0 0999 V2000 4.7199 -0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 4.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 -5.3646 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6629 -5.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 3.2058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 4.7446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 2.3968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -4.8646 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2601 3.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 4.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3379 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 1.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -3.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 -3.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6629 -3.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 3.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 2.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9276 -0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 5.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 -2.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -2.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 1.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 -3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -3.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 27 1 0 0 0 0 8 20 2 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 20 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 19 23 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$ D00167 -OEChem-05072121462D 53 55 0 1 0 0 0 0 0999 V2000 4.5981 -1.4050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 5.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 5.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 8 3 1 1 0 0 0 3 36 1 0 0 0 0 9 4 1 6 0 0 0 4 37 1 0 0 0 0 10 5 1 6 0 0 0 5 38 1 0 0 0 0 6 14 1 0 0 0 0 6 44 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 1 0 0 0 11 32 1 0 0 0 0 12 14 1 1 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$ D00168 -OEChem-05072121462D 29 30 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 4 16 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 M END $$$$ D00169 -OEChem-05072121462D 62 66 0 1 0 0 0 0 0999 V2000 3.9655 1.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 0.0551 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2858 2.1950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.3915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9836 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 -0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 -0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -2.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -2.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4207 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5151 1.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6697 1.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -0.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 -0.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 1.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 -0.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8253 -0.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8943 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 -0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 1.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 2.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 2.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -2.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -2.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -1.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -3.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3745 0.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5861 0.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -2.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 -1.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 -0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 33 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 17 22 2 0 0 0 0 17 46 1 0 0 0 0 18 23 2 0 0 0 0 18 47 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 26 2 0 0 0 0 20 50 1 0 0 0 0 21 27 2 0 0 0 0 21 51 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 53 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 31 2 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END $$$$ D00170 -OEChem-05072121462D 75 78 0 1 0 0 0 0 0999 V2000 6.3238 1.8811 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1779 -5.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 -5.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8689 -2.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -0.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -3.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 2.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 1.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 -1.7152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 1.1379 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.0003 4.8536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1290 -4.1343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1290 -5.1343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1779 -3.8253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0752 -3.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5901 -4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6588 -4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -1.5073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2946 -0.5563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8907 -2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -2.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3675 2.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -2.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9929 2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3894 2.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0366 3.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -1.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -2.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 2.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 3.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6402 3.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3530 4.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 -3.2843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 -5.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 -3.7283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6126 -3.5203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8242 -3.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 -4.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 -5.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1197 -5.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1197 -4.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -1.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 0.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3454 -0.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9966 -1.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7022 -2.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 1.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 0.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 2.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 0.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 3.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 2.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2604 1.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 2.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4515 3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5759 3.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 -0.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -3.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 1.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0775 3.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 -0.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -3.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2467 3.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8087 5.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6068 4.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 14 4 1 6 0 0 0 4 20 1 0 0 0 0 19 5 1 6 0 0 0 5 58 1 0 0 0 0 6 20 2 0 0 0 0 18 9 1 1 0 0 0 9 20 1 0 0 0 0 9 52 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 11 38 1 0 0 0 0 11 74 1 0 0 0 0 11 75 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 1 0 0 0 13 40 1 1 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 57 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 33 1 0 0 0 0 29 65 1 0 0 0 0 30 34 2 0 0 0 0 30 66 1 0 0 0 0 31 36 1 0 0 0 0 31 67 1 0 0 0 0 32 37 2 0 0 0 0 32 68 1 0 0 0 0 33 35 2 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 35 73 1 0 0 0 0 36 38 2 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 72 1 0 0 0 0 M END $$$$ D00171 -OEChem-05072121462D 59 62 0 0 0 0 0 0 0999 V2000 5.4791 -4.5609 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.0963 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 6.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -3.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 4.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 2.4915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.9915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.5085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.5085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 -4.7699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 3.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 3.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 5.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 5.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -0.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -3.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -5.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -3.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 -6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -5.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 -7.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 -6.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -6.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -7.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 4.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 4.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 2.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 3.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 3.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 2.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 6.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 5.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6192 5.4089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 6.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1381 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 7.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 -1.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -0.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -3.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 -4.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0067 -7.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6118 -5.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -6.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -7.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 -6.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 -7.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 47 1 0 0 0 0 4 28 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 48 1 0 0 0 0 10 23 2 0 0 0 0 10 26 1 0 0 0 0 11 25 1 0 0 0 0 11 28 1 0 0 0 0 11 53 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END $$$$ D00172 -OEChem-05072121462D 43 46 0 0 0 0 0 0 0999 V2000 6.9654 2.4508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 3.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -3.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 0.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 1.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 2.0636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1733 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6381 -0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -1.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5891 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3323 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 4.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -0.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 -0.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -2.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 2.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5851 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7180 -1.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9219 -0.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 5.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 4.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4262 2.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2357 4.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 41 1 0 0 0 0 2 17 1 0 0 0 0 2 42 1 0 0 0 0 3 28 1 0 0 0 0 3 43 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 12 17 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 15 22 2 0 0 0 0 16 23 1 0 0 0 0 16 31 1 0 0 0 0 17 25 2 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 27 2 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$ D00173 -OEChem-05072121462D 19 19 0 0 0 0 0 0 0999 V2000 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ D00174 -OEChem-05072121462D 63 67 0 1 0 0 0 0 0999 V2000 8.4073 -2.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6261 -1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.2445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -1.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.5293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6831 -1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -2.0456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 1.0293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.0639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1763 -2.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5224 -0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -1.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 1.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9237 -3.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 -2.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4290 -2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6959 -0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8338 0.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9679 0.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 25 1 0 0 0 0 16 2 1 1 0 0 0 2 53 1 0 0 0 0 3 22 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 30 2 0 0 0 0 6 31 2 0 0 0 0 7 11 1 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 34 1 1 0 0 0 11 15 1 0 0 0 0 11 22 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 6 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 1 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 1 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 31 32 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END $$$$ D00175 -OEChem-05072121462D 42 45 0 0 0 0 0 0 0999 V2000 6.4060 -0.5346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 2.5242 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7524 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6242 0.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6573 0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8864 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2883 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 0.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8155 1.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 0.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -1.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -0.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4016 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5573 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5573 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2894 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 3 26 1 0 0 0 0 4 30 1 0 0 0 0 5 13 1 0 0 0 0 5 36 1 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 40 1 0 0 0 0 8 27 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 11 25 1 0 0 0 0 11 29 2 0 0 0 0 12 29 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 28 30 2 0 0 0 0 28 39 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$ D00176 -OEChem-05072121462D 60 63 0 0 0 0 0 0 0999 V2000 2.8660 -1.4010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -1.0350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.7058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 0.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 2.4291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 3.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 3.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 -0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3349 0.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 -1.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 0.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 0.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0500 0.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 2.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3230 -0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 -0.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1700 2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3230 1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 32 1 0 0 0 0 2 16 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 42 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 15 1 0 0 0 0 9 26 2 0 0 0 0 10 27 1 0 0 0 0 10 57 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 44 1 0 0 0 0 23 28 2 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 24 46 1 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ D00177 -OEChem-05072121462D 45 48 0 1 0 0 0 0 0999 V2000 2.8680 -0.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 1.0410 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 -0.4499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 0.0501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 1.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1950 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0002 0.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 1.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 0.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -1.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7858 -0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3786 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 1.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 -2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 -2.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 -2.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7922 -1.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 1.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 0.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -0.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 6 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 6 0 0 0 5 10 1 0 0 0 0 5 22 1 6 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 M END $$$$ D00178 -OEChem-05072121462D 53 56 0 1 0 0 0 0 0999 V2000 10.5194 -2.0023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -1.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -2.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 13 2 1 6 0 0 0 2 39 1 0 0 0 0 19 3 1 1 0 0 0 3 46 1 0 0 0 0 4 18 2 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 24 1 0 0 0 0 6 48 1 0 0 0 0 7 21 2 0 0 0 0 8 30 1 0 0 0 0 8 53 1 0 0 0 0 9 29 2 0 0 0 0 16 10 1 6 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 29 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 6 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 25 1 0 0 0 0 25 30 2 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END $$$$ D00179 -OEChem-05072121462D 42 44 0 0 0 0 0 0 0999 V2000 4.8830 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -1.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ D00180 -OEChem-05072121462D 41 44 0 0 0 0 0 0 0999 V2000 2.0000 2.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 0.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 2.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 2.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 2.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 1.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 1.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 0.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -2.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -2.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 3.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 3.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 3.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 3.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 0.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 1.9282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 0.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 35 1 0 0 0 0 3 11 1 0 0 0 0 3 22 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00181 -OEChem-05072121462D 146148 0 1 0 0 0 0 0999 V2000 7.2966 8.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 8.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 8.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 11.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 15.1496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7608 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0909 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6799 19.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8139 18.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 10.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 7.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 13.1933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 14.1204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2966 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 15.5097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8802 15.4075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4154 13.7603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 10.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1986 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 9.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 8.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4033 11.5460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4306 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 11.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 12.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 12.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 5.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5133 13.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8326 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 3.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5646 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 13.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 4.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1627 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0287 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7608 5.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3328 14.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7608 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 14.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2627 5.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5646 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4928 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4363 6.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 5.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4928 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6703 7.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5569 6.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7306 7.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2249 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2249 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 19.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8139 19.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7926 9.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 11.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5921 11.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 11.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 11.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8176 9.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 10.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0277 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6057 10.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 11.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 9.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0321 9.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 11.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 11.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 13.4472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 12.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5996 12.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 13.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 13.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9676 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 14.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 13.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6427 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6393 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2408 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5656 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8166 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 4.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 5.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7608 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0253 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8947 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5636 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1005 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 16.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 15.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0189 6.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2153 4.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4698 15.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 15.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 13.9519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2865 13.1538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9559 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6986 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7779 8.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9743 5.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2556 7.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7618 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6278 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 20.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 19.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6379 19.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2169 19.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 2 52 1 0 0 0 0 3 35 2 0 0 0 0 4 36 2 0 0 0 0 5 41 2 0 0 0 0 6 43 2 0 0 0 0 7 48 2 0 0 0 0 8 51 2 0 0 0 0 9 54 2 0 0 0 0 10 59 2 0 0 0 0 11 60 2 0 0 0 0 12 63 2 0 0 0 0 13 65 2 0 0 0 0 14 76 1 0 0 0 0 14142 1 0 0 0 0 15 78 1 0 0 0 0 15146 1 0 0 0 0 16 78 2 0 0 0 0 17 31 1 0 0 0 0 17 34 1 0 0 0 0 17 36 1 0 0 0 0 18 35 1 0 0 0 0 38 18 1 1 0 0 0 18 87 1 0 0 0 0 19 37 1 0 0 0 0 19 43 1 0 0 0 0 19 91 1 0 0 0 0 20 41 1 0 0 0 0 20 49 1 0 0 0 0 20101 1 0 0 0 0 21 44 1 0 0 0 0 21 48 1 0 0 0 0 21102 1 0 0 0 0 22 45 1 0 0 0 0 22 61 2 0 0 0 0 23 47 1 0 0 0 0 23 54 1 0 0 0 0 23108 1 0 0 0 0 24 53 1 0 0 0 0 24 60 1 0 0 0 0 24119 1 0 0 0 0 25 58 1 0 0 0 0 25 63 1 0 0 0 0 25122 1 0 0 0 0 26 51 1 0 0 0 0 26123 1 0 0 0 0 26124 1 0 0 0 0 27 59 1 0 0 0 0 27125 1 0 0 0 0 27126 1 0 0 0 0 28 61 1 0 0 0 0 28129 1 0 0 0 0 28130 1 0 0 0 0 29 61 1 0 0 0 0 29131 1 0 0 0 0 29132 1 0 0 0 0 30 65 1 0 0 0 0 30135 1 0 0 0 0 30136 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 6 0 0 0 31 79 1 0 0 0 0 32 33 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 34 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 37 36 1 6 0 0 0 37 39 1 0 0 0 0 37 86 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 42 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 42 45 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 44 1 0 0 0 0 44 46 1 1 0 0 0 44 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 51 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 1 0 0 0 47103 1 0 0 0 0 49 59 1 0 0 0 0 49104 1 0 0 0 0 49105 1 0 0 0 0 50 55 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 52 56 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53 54 1 0 0 0 0 53 57 1 6 0 0 0 53111 1 0 0 0 0 55 65 1 0 0 0 0 55112 1 0 0 0 0 55113 1 0 0 0 0 56 63 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 57 64 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 58 60 1 0 0 0 0 58 62 1 1 0 0 0 58118 1 0 0 0 0 62 66 1 0 0 0 0 62120 1 0 0 0 0 62121 1 0 0 0 0 64 67 2 0 0 0 0 64 68 1 0 0 0 0 66 69 2 0 0 0 0 66 70 1 0 0 0 0 67 71 1 0 0 0 0 67127 1 0 0 0 0 68 72 2 0 0 0 0 68128 1 0 0 0 0 69 74 1 0 0 0 0 69133 1 0 0 0 0 70 75 2 0 0 0 0 70134 1 0 0 0 0 71 73 2 0 0 0 0 71137 1 0 0 0 0 72 73 1 0 0 0 0 72138 1 0 0 0 0 73139 1 0 0 0 0 74 76 2 0 0 0 0 74140 1 0 0 0 0 75 76 1 0 0 0 0 75141 1 0 0 0 0 77 78 1 0 0 0 0 77143 1 0 0 0 0 77144 1 0 0 0 0 77145 1 0 0 0 0 M END $$$$ D00182 -OEChem-05072121462D 44 45 0 1 0 0 0 0 0999 V2000 2.6200 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2540 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6569 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9300 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 33 1 0 0 0 0 2 19 1 0 0 0 0 2 44 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 M END $$$$ D00183 -OEChem-05252109482D 55 56 0 1 0 0 0 0 0999 V2000 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 5 4 1 6 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 31 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 2 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 17 22 2 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 M END $$$$ D00184 -OEChem-05072121462D 50 52 0 1 0 0 0 0 0999 V2000 7.0244 3.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 -1.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 0.0374 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1463 0.5374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9303 1.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9223 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7983 2.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1463 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2802 -0.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 -1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5303 2.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6585 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 0.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9315 2.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1268 -0.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 0.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 2.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 1.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 -1.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1986 2.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 2.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7477 -1.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5448 -1.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1981 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 -2.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8382 1.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0684 2.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2224 2.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 0.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6561 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2785 0.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 2.1816 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5640 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.2400 1.5592 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.6224 -3.1067 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4891 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.2400 -2.4843 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 6 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 M ISO 6 45 2 46 2 47 2 48 2 49 2 50 2 M END $$$$ D00185 -OEChem-05072121462D 57 60 0 1 0 0 0 0 0999 V2000 5.0182 -0.2293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 11 2 1 6 0 0 0 2 50 1 0 0 0 0 15 3 1 1 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 57 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 1 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 22 1 6 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 1 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$ D00186 -OEChem-05072121462D 38 39 0 1 0 0 0 0 0999 V2000 4.5981 -3.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 2 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$ D00187 -OEChem-05072121462D 39 41 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 11.7619 -2.8621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -1.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -2.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 10 1 6 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$ D00188 -OEChem-05072121462D 36 37 0 1 0 0 0 0 0999 V2000 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2002 1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 6 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 6 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END $$$$ D00189 -OEChem-05072121462D 23 23 0 1 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 M END $$$$ D00190 -OEChem-05072121462D 33 35 0 0 0 0 0 0 0999 V2000 7.0444 0.0492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -2.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.0740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -1.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 1.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 3.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$ D00191 -OEChem-05072121462D 22 22 0 0 0 0 0 0 0999 V2000 2.0000 0.4050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -2.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 7 2 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 M END $$$$ D00192 -OEChem-05072121462D 30 31 0 0 0 0 0 0 0999 V2000 2.0000 -1.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$ D00193 -OEChem-05072121462D 47 50 0 1 0 0 0 0 0999 V2000 2.7896 2.4144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -0.4948 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 0.8016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 -1.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5346 -2.5106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1819 -1.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 -0.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8261 3.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 -0.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 1.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 0.4926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4825 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 -0.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9354 0.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9354 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5577 1.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 1.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 2.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 3.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8124 1.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4564 -1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1744 1.0688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 0.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 1.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9271 -1.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 -0.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 -0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3915 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -3.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8884 2.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 1.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -1.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5296 -0.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 41 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 15 10 1 1 0 0 0 10 20 1 0 0 0 0 10 40 1 0 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 6 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 6 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$ D00194 -OEChem-05072121462D 57 58 0 0 0 0 0 0 0999 V2000 5.5000 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6736 0.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5924 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7057 -0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3584 1.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4718 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2981 0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8737 -1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 -1.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -1.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4766 -1.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 -1.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 0.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 0.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 -1.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -1.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -2.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9219 -3.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 -3.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4766 -2.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6684 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8835 1.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7818 -0.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0544 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 -3.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3985 -3.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9181 0.7633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4058 1.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -0.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 2.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 M END $$$$ D00195 -OEChem-05072121462D 29 31 0 1 0 0 0 0 0999 V2000 4.9395 0.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -1.0237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -2.6332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 -0.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4775 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5287 1.5449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2213 2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9133 -0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 -0.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0942 0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 1.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 1.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 2.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 2.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -1.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 3.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 8 4 1 6 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 6 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$ D00196 -OEChem-05072121462D 34 34 0 1 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 M END $$$$ D00197 -OEChem-05072121462D 26 27 0 0 0 0 0 0 0999 V2000 6.8671 0.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$ D00198 -OEChem-05072121462D 119126 0 1 0 0 0 0 0999 V2000 18.3182 -1.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4387 2.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5591 3.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3186 3.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3144 -0.3888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4503 -0.8921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5823 -0.3954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3105 0.6112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6743 -0.9058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6703 -1.9474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4426 1.1079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5785 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2556 0.9196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2618 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4704 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5744 -2.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8423 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7453 -0.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3067 1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7370 -2.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6782 0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7994 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5626 1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9731 2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5130 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5108 3.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 0.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1913 -1.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3168 0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6768 -2.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9044 1.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3642 1.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9683 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8677 1.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0129 -1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8003 -0.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6906 -2.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0791 -1.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1789 -2.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9771 -2.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3047 -0.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3015 0.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 0.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9267 1.6136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3043 2.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6867 1.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3415 -2.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1398 -2.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2981 0.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6805 0.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0582 0.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5926 -0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1882 -0.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2589 -1.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8564 -1.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9006 2.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5114 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5132 2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0153 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.0751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 84 1 0 0 0 0 21 2 1 1 0 0 0 2 85 1 0 0 0 0 33 3 1 1 0 0 0 38 3 1 1 0 0 0 4 35 1 0 0 0 0 4 37 1 0 0 0 0 5 38 1 0 0 0 0 5 41 1 0 0 0 0 6 37 2 0 0 0 0 40 7 1 6 0 0 0 7 98 1 0 0 0 0 42 8 1 6 0 0 0 44 8 1 1 0 0 0 9 44 1 0 0 0 0 9 47 1 0 0 0 0 48 10 1 6 0 0 0 50 10 1 6 0 0 0 46 11 1 6 0 0 0 11108 1 0 0 0 0 12 50 1 0 0 0 0 12 53 1 0 0 0 0 52 13 1 1 0 0 0 13118 1 0 0 0 0 54 14 1 1 0 0 0 14119 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 56 1 1 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 57 1 6 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 29 1 1 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 31 1 1 0 0 0 20 26 1 0 0 0 0 20 30 1 0 0 0 0 20 58 1 1 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 27 1 0 0 0 0 23 34 1 1 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 32 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 33 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 33 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 37 1 0 0 0 0 36 88 1 0 0 0 0 38 39 1 0 0 0 0 38 89 1 0 0 0 0 39 40 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 42 1 0 0 0 0 40 92 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 1 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 44 45 1 0 0 0 0 44 99 1 0 0 0 0 45 46 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 46 48 1 0 0 0 0 46102 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 1 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 49105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 50 51 1 0 0 0 0 50109 1 0 0 0 0 51 52 1 0 0 0 0 51110 1 0 0 0 0 51111 1 0 0 0 0 52 54 1 0 0 0 0 52112 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 6 0 0 0 53113 1 0 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 M END $$$$ D00199 -OEChem-05072121462D 80 87 0 1 0 0 0 0 0999 V2000 4.3933 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 4.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 1.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.1448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -1.6251 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2345 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8945 -5.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 2.1498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2830 1.5652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0244 -3.1666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8904 -2.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4996 1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 2.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3666 0.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1063 -1.6182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1144 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 3.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -3.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 -4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7782 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -5.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3743 -4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 -5.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 4.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 4.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 5.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 5.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 6.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -3.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 -2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5712 -1.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 -2.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 -3.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 4.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 3.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4094 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6111 -0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 -3.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 0.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 -0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -4.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9922 -4.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1805 -6.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 -6.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -6.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 4.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 4.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 6.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 6.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 6.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 12 2 1 6 0 0 0 2 67 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 8 32 1 0 0 0 0 17 9 1 6 0 0 0 9 28 1 0 0 0 0 9 61 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 10 73 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 1 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 45 1 6 0 0 0 14 25 1 0 0 0 0 14 46 1 1 0 0 0 15 21 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 6 0 0 0 16 49 1 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 28 1 1 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 30 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 29 2 0 0 0 0 26 34 1 0 0 0 0 27 36 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 35 2 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 37 2 0 0 0 0 34 38 2 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 40 42 2 0 0 0 0 40 77 1 0 0 0 0 41 43 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 M END $$$$ D00200 -OEChem-05072121462D 55 57 0 1 0 0 0 0 0999 V2000 5.9088 -0.8608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 1.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 -3.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 1.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 4.0163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 -0.6382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5000 0.2627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9339 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 2.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3104 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 -0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 1.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5846 -0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6757 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 -0.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -3.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 -2.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 4.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 4.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0634 -2.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 -4.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1387 -1.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 2.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 2.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 3.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0619 2.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 -1.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -2.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0264 1.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0264 -0.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2788 -3.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -1.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 5.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 5.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 4.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 3.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1688 4.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3936 4.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -5.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 -4.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 9 2 1 1 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$ D00201 -OEChem-05072121462D 61 63 0 0 0 0 0 0 0999 V2000 5.9674 2.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.2386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 1.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 3.4247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 1.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7056 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 13.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 11.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 12.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 12.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 11.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 12.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 9.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5764 4.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9516 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 14.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 13.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 13.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 14.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 14.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 7.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 10.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 4.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3026 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5295 3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 12.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 0 0 0 0 8 43 1 0 0 0 0 9 15 1 0 0 0 0 9 31 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 17 2 0 0 0 0 11 19 1 0 0 0 0 12 18 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 16 21 1 0 0 0 0 17 26 1 0 0 0 0 17 39 1 0 0 0 0 18 27 1 0 0 0 0 18 40 1 0 0 0 0 19 28 2 0 0 0 0 19 41 1 0 0 0 0 20 29 2 0 0 0 0 20 42 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 32 2 0 0 0 0 26 53 1 0 0 0 0 27 33 2 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 33 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$ D00202 -OEChem-05072121472D 18 17 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ D00203 -OEChem-05072121472D 40 41 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END $$$$ D00204 -OEChem-05072121472D 76 79 0 0 0 0 0 0 0999 V2000 4.2690 -3.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 0.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2536 3.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 -2.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 1.0519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -2.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4756 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7322 -3.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 -3.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5923 -4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 2.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1319 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0849 -2.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 -1.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 -3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5134 -4.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6694 -4.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0759 -3.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 4.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 4.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 -4.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 -4.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 0.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6655 0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 2.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7832 1.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -1.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 1.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7289 1.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4717 1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8676 2.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 0.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 3.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 73 1 0 0 0 0 2 34 1 0 0 0 0 2 74 1 0 0 0 0 3 35 1 0 0 0 0 3 75 1 0 0 0 0 4 36 1 0 0 0 0 4 76 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 23 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 7 27 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 25 1 0 0 0 0 9 27 2 0 0 0 0 10 26 1 0 0 0 0 10 28 2 0 0 0 0 11 27 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END $$$$ D00205 -OEChem-05072121472D 54 55 0 1 0 0 0 0 0999 V2000 2.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3204 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0106 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7130 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0230 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 3 24 2 0 0 0 0 4 12 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 23 2 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 M END $$$$ D00206 -OEChem-05072121472D 36 35 0 0 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 M END $$$$ D00207 -OEChem-05252109482D 26 26 0 1 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ D00208 -OEChem-05072121472D 56 57 0 1 0 0 0 0 0999 V2000 7.1962 6.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 7.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 5.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -7.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 28 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 29 1 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 19 1 0 0 0 0 9 45 1 0 0 0 0 10 23 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 18 21 2 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$ D00209 -OEChem-05072121472D 44 48 0 1 0 0 0 0 0999 V2000 7.5236 0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6352 -0.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 2.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5708 0.7026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9979 0.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0204 1.6395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4027 0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9419 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0692 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 1.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7397 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0763 0.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7105 -0.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 0.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6391 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5678 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 -0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3535 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2821 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 -0.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 2.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 0.2263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3581 -0.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9451 1.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 0.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 -0.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 1.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8641 2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 2.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 2.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3767 1.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0465 1.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9921 -1.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0005 -0.6775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 -2.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 -2.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 1 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 6 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ D00210 -OEChem-05072121472D 49 52 0 1 0 0 0 0 0999 V2000 2.0000 -1.4458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 -4.4391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8785 1.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1186 4.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 4.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 1.5608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9846 2.5883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 1.5883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.0642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9846 1.5883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8785 3.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7846 2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1186 1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7846 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1186 3.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8669 4.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 1.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3586 3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 2.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5884 1.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 -0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -1.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -2.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 3.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3954 2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9936 3.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 0.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 0.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9936 0.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3954 1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4869 4.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8598 4.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 4.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3658 0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 4.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -0.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 -3.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1420 -3.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 30 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 16 2 0 0 0 0 5 20 1 0 0 0 0 5 43 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 44 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 6 0 0 0 12 13 1 0 0 0 0 12 18 1 6 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 M END $$$$ D00211 -OEChem-05072121472D 57 60 0 1 0 0 0 0 0999 V2000 5.8550 2.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.1651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 1.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4096 0.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -0.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -0.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 -1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -0.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 0.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2356 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -3.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9379 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7479 -2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 18 21 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$ D00212 -OEChem-05072121472D 22 22 0 0 0 0 0 0 0999 V2000 4.2690 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ D00213 -OEChem-05072121472D 58 62 0 1 0 0 0 0 0999 V2000 12.4602 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2202 -0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1263 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1263 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9836 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3822 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2130 2.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2130 -0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6620 1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6620 0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 28 1 0 0 0 0 4 32 1 0 0 0 0 5 29 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 17 2 0 0 0 0 8 20 1 0 0 0 0 9 17 1 0 0 0 0 9 23 2 0 0 0 0 10 23 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 25 2 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 30 1 0 0 0 0 25 46 1 0 0 0 0 26 29 1 0 0 0 0 26 47 1 0 0 0 0 27 31 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$ D00214 -OEChem-05072121472D 74 76 0 1 0 0 0 0 0999 V2000 2.0000 -4.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.4582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.4087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 3.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 4.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 5.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 4.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 3.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 2.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 3.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 4.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8845 5.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 5.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 5.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 5.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25 1 1 6 0 0 0 1 73 1 0 0 0 0 26 2 1 1 0 0 0 2 74 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 1 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 6 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 6 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 12 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 14 1 6 0 0 0 9 15 1 0 0 0 0 9 39 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 2 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 18 20 2 0 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 1 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 55 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 30 2 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 M END $$$$ D00215 -OEChem-05072121472D 56 59 0 1 0 0 0 0 0999 V2000 6.9338 -1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 0.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 -2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 -1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 41 1 0 0 0 0 14 2 1 6 0 0 0 2 42 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 4 50 1 0 0 0 0 5 22 1 0 0 0 0 5 51 1 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 56 1 0 0 0 0 8 30 2 0 0 0 0 15 9 1 6 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 6 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 6 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D00216 -OEChem-05072121472D 42 43 0 1 0 0 0 0 0999 V2000 5.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ D00217 -OEChem-05072121472D 53 55 0 1 0 0 0 0 0999 V2000 8.9942 -2.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.6016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9942 -0.1016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7702 -0.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7783 0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3602 -2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 -1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -2.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8723 2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -1.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5931 -1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7270 0.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 -0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3819 0.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9918 1.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 1.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8233 -2.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6702 -3.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8972 -2.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 -2.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4802 -1.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8602 -0.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2414 -2.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8699 3.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2523 2.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7924 -0.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -2.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 -2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -1.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -1.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 1.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -2.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -2.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -1.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -1.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 6 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 1 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END $$$$ D00218 -OEChem-05072121472D 83 85 0 0 0 0 0 0 0999 V2000 2.8660 -2.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5010 -0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0794 2.1561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3900 3.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7472 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1009 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3685 3.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7257 1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7902 0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6792 4.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3936 0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8117 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -3.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6577 4.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3721 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -3.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -0.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5225 -0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8547 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -1.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -4.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3695 3.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7762 3.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2209 1.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9785 0.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0803 2.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4870 2.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3891 2.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9824 3.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2521 1.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4945 2.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8108 0.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4040 0.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6586 4.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0654 4.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8672 0.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6248 0.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7911 1.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1979 0.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 -2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7523 -2.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -4.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7856 3.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2644 4.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5299 5.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4999 0.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9787 1.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2442 1.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 -3.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 -2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 0.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 -2.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0473 0.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6259 -1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 -4.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 -5.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -4.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 39 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 26 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 30 1 0 0 0 0 8 80 1 0 0 0 0 9 12 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 13 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 14 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 23 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 24 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 25 2 0 0 0 0 21 28 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 32 1 0 0 0 0 26 29 1 0 0 0 0 27 38 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 30 2 0 0 0 0 28 70 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 33 2 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 36 1 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END $$$$ D00219 -OEChem-05072121472D 26 26 0 1 0 0 0 0 0999 V2000 3.4030 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 15 1 0 0 0 0 4 26 1 0 0 0 0 5 12 2 0 0 0 0 8 6 1 1 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$ D00220 -OEChem-05072121472D 40 42 0 1 0 0 0 0 0999 V2000 4.6551 -2.0857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 -3.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5997 -3.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 4 2 1 6 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 20 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$ D00221 -OEChem-05072121472D 67 71 0 1 0 0 0 0 0999 V2000 12.2533 0.1910 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3298 1.6031 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8412 0.2674 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2463 4.6568 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 4.5803 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 3.2446 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 1.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -4.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 0.5228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -1.9386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -0.9386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.4386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -2.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -3.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.4871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6451 -4.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2713 2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2283 2.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5855 0.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5605 3.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9141 3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -1.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 -0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -0.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -1.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -4.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -1.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -1.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0425 0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 2.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8350 2.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7531 3.9637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 37 1 0 0 0 0 5 37 1 0 0 0 0 6 37 1 0 0 0 0 7 27 2 0 0 0 0 8 29 2 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 9 62 1 0 0 0 0 10 27 1 0 0 0 0 10 30 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 1 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 39 1 1 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 6 0 0 0 15 22 1 0 0 0 0 15 25 1 1 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 1 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 6 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 2 0 0 0 0 26 61 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 32 33 2 0 0 0 0 32 65 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 36 67 1 0 0 0 0 M END $$$$ D00222 -OEChem-05072121472D 30 32 0 1 0 0 0 0 0999 V2000 2.0000 0.4649 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5301 -1.2430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 0.1230 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.2430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.4890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 -2.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -2.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 -3.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.4890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5301 -1.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0301 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 2.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -2.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -2.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -3.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -3.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6407 -3.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 3.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 2.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 19 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 11 16 1 0 0 0 0 12 14 3 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 17 20 2 0 0 0 0 17 27 1 0 0 0 0 18 21 2 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$ D00223 -OEChem-05072121472D 53 56 0 1 0 0 0 0 0999 V2000 4.5981 0.1970 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 0.4881 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8744 -1.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 1.1585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5719 2.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5662 1.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7725 0.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7993 -0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 0.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7019 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9826 2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1830 2.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5673 2.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0237 0.4198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3625 1.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 1.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1828 -0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7335 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4158 -0.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 1 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$ D00224 -OEChem-05072121472D 65 67 0 1 0 0 0 0 0999 V2000 7.1962 0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 1.3641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 3.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3596 4.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5506 2.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8814 3.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 1.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 4.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 5.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 2.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8606 2.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 5.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 3.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 1.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2051 1.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2051 2.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8033 3.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 47 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 12 6 1 6 0 0 0 6 15 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 24 2 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END $$$$ D00225 -OEChem-05072121472D 55 58 0 0 0 0 0 0 0999 V2000 6.5238 -3.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 6.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0813 4.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.6791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 -1.8131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 -0.9767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 0.0233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -1.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -4.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -5.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7637 -0.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 3.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 3.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 4.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 4.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 5.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 5.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 -1.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -3.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 -4.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -5.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 0.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6348 0.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -4.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -5.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -6.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 -6.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -6.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8862 1.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8862 3.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -0.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 3.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8862 0.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 4.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 5.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 1.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7523 6.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 23 1 0 0 0 0 2 54 1 0 0 0 0 3 33 1 0 0 0 0 3 55 1 0 0 0 0 4 33 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 24 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 30 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 31 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D00226 -OEChem-05072121472D 77 80 0 1 0 0 0 0 0999 V2000 6.0704 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 5.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -5.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 6.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 5.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 1.6940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 -0.0381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 3.3690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 1.7510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -5.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 2.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5704 -0.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0704 -0.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5704 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9364 -3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -3.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 -3.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8025 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3384 -1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0704 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 3.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 3.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 -4.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5704 5.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 5.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 4.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 5.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7604 2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 -0.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6719 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 -1.0646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 1.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 1.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1074 3.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 3.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0335 3.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 0.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -0.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 3.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4734 -3.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 -3.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9504 3.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3804 2.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 -2.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4925 -1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6484 -1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 -1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 -2.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1904 3.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 2.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 4.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 3.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 5.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -6.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 -5.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 5.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 4.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1904 5.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5704 5.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6904 6.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 34 1 0 0 0 0 2 42 1 0 0 0 0 3 35 2 0 0 0 0 4 38 1 0 0 0 0 4 77 1 0 0 0 0 5 38 2 0 0 0 0 11 6 1 6 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 12 7 1 1 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 54 1 0 0 0 0 9 17 2 0 0 0 0 9 30 1 0 0 0 0 10 35 1 0 0 0 0 10 71 1 0 0 0 0 10 72 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 23 1 0 0 0 0 20 28 1 0 0 0 0 21 24 2 0 0 0 0 21 29 1 0 0 0 0 22 30 2 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 35 1 0 0 0 0 26 31 1 0 0 0 0 26 57 1 0 0 0 0 27 33 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 34 2 0 0 0 0 31 38 1 0 0 0 0 32 36 2 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 36 39 1 0 0 0 0 36 67 1 0 0 0 0 37 40 2 0 0 0 0 37 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 70 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 M END $$$$ D00227 -OEChem-05072121472D 54 56 0 1 0 0 0 0 0999 V2000 4.6038 3.9104 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.9104 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -3.6071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 0.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -1.1071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2564 -2.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -2.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -3.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -2.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 0.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 3.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 3.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 3.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8534 -1.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -2.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 -2.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9138 -2.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -4.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 -3.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4324 -2.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6594 -1.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8124 -1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 1.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 1.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 0.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -3.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 -2.1336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -2.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -2.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 3.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 0.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 4.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 47 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 20 2 0 0 0 0 6 25 1 0 0 0 0 6 53 1 0 0 0 0 7 25 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 42 1 0 0 0 0 17 22 2 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 21 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$ D00228 -OEChem-05072121472D 26 27 0 1 0 0 0 0 0999 V2000 3.2320 -1.8123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7265 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -3.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9230 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8198 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 9 6 1 1 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 2 0 0 0 0 8 16 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 1 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 M END $$$$ D00229 -OEChem-05072121472D 55 56 0 1 0 0 0 0 0999 V2000 6.3301 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 3.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2242 3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 3.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 45 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 13 7 1 1 0 0 0 15 7 1 1 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 1 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END $$$$ D00230 -OEChem-05072121472D 50 52 0 0 0 0 0 0 0999 V2000 2.0000 1.1550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5210 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.7890 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.8450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -0.8450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 15 1 0 0 0 0 7 43 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 19 2 0 0 0 0 10 21 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 11 44 1 0 0 0 0 12 20 1 0 0 0 0 12 21 2 0 0 0 0 13 22 2 0 0 0 0 13 26 1 0 0 0 0 14 28 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 20 22 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 29 2 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 30 2 0 0 0 0 26 32 1 0 0 0 0 27 31 2 0 0 0 0 27 47 1 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$ D00231 -OEChem-05072121472D 37 37 0 0 0 0 0 0 0999 V2000 4.5981 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 20 1 0 0 0 0 2 36 1 0 0 0 0 3 21 1 0 0 0 0 3 37 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 22 3 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$ D00232 -OEChem-05072121472D 35 37 0 1 0 0 0 0 0999 V2000 6.0873 2.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 3.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.6989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.3084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.2516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3452 1.5590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3947 1.8696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8055 1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 2.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1515 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 2.1715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 1.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 0.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4261 1.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7515 2.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 -0.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 2.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5547 3.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 30 1 0 0 0 0 2 14 1 0 0 0 0 2 32 1 0 0 0 0 3 19 2 0 0 0 0 9 4 1 1 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 20 2 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 33 1 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 2 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ D00233 -OEChem-05072121472D 27 27 0 1 0 0 0 0 0999 V2000 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 1 21 1 0 0 0 0 3 2 1 1 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 M END $$$$ D00234 -OEChem-05072121472D 26 26 0 1 0 0 0 0 0999 V2000 3.4030 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 12 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M END $$$$ D00235 -OEChem-05072121472D 60 65 0 1 0 0 0 0 0999 V2000 3.3022 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 2.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 -0.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -4.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1684 -0.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0345 0.3728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1684 1.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0345 1.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3024 0.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1524 -1.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3024 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 2.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9445 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7715 2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3664 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2004 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 3.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 -2.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 3.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1192 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 0.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8114 1.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4524 0.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 1.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -0.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 2.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 3.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 1.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 -1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -1.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1766 3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -0.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 -1.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -2.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -3.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 4.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8528 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0699 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 11 1 0 0 0 0 14 2 1 1 0 0 0 2 28 1 0 0 0 0 3 24 1 0 0 0 0 3 30 1 0 0 0 0 4 24 2 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 1 0 0 0 10 16 1 0 0 0 0 10 32 1 6 0 0 0 11 13 1 0 0 0 0 11 33 1 1 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 1 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 6 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END $$$$ D00236 -OEChem-05072121472D 54 56 0 0 0 0 0 0 0999 V2000 7.8078 -1.6194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9635 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 -2.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.8679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 2.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3014 3.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 0.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 3.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 4.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4988 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3078 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1168 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8078 -1.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 2.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 1.8033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 3.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 4.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 3.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3928 -1.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 4.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 5.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 5.0834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8388 0.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 0.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3078 0.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7064 -0.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 -2.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0924 -2.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 30 1 0 0 0 0 2 26 1 0 0 0 0 2 53 1 0 0 0 0 3 26 2 0 0 0 0 4 28 1 0 0 0 0 4 54 1 0 0 0 0 5 28 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$ D00237 -OEChem-05072121472D 73 75 0 1 0 0 0 0 0999 V2000 2.0000 -4.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4103 1.4582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.4087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.7717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2993 4.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 3.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -4.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 4.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 5.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 1.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 2.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 3.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 3.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1136 2.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 4.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 3.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 2.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 2.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1180 3.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -5.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4057 4.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8845 5.0563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1500 5.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0929 5.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 5.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 6 0 0 0 1 73 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 1 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 30 1 6 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 6 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 13 1 6 0 0 0 8 14 1 0 0 0 0 8 38 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 2 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 2 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 1 0 0 0 18 53 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 54 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 23 29 2 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 M END $$$$ D00238 -OEChem-05072121472D 78 85 0 1 0 0 0 0 0999 V2000 4.3933 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 4.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.1448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 1.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2345 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -1.6251 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8945 -5.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 2.1498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2830 1.5652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4996 1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 2.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6617 3.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 0.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4844 3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 -1.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8904 -2.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2384 -1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -3.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -3.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 -4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7782 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 4.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 4.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -5.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3743 -4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 5.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 5.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 -5.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 6.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 4.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 3.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 0.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5712 -1.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 -2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4094 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6111 -0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 -3.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -2.9760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 -0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 4.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 4.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9922 -4.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -4.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1805 -6.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 -6.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 6.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 6.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -6.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 6.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 12 2 1 6 0 0 0 2 54 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 17 8 1 6 0 0 0 8 24 1 0 0 0 0 8 55 1 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 33 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 73 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 44 1 1 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 6 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 1 0 0 0 22 26 1 0 0 0 0 22 29 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 60 1 1 0 0 0 25 34 2 0 0 0 0 25 35 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 37 2 0 0 0 0 32 36 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 40 1 0 0 0 0 34 69 1 0 0 0 0 35 41 2 0 0 0 0 35 70 1 0 0 0 0 36 39 2 0 0 0 0 37 71 1 0 0 0 0 38 42 2 0 0 0 0 38 72 1 0 0 0 0 39 42 1 0 0 0 0 39 74 1 0 0 0 0 40 43 2 0 0 0 0 40 75 1 0 0 0 0 41 43 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 M END $$$$ D00239 -OEChem-05072121472D 52 54 0 0 0 0 0 0 0999 V2000 5.4641 0.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.6974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.3718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.8163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 -1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7932 -2.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6765 -0.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 -2.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5367 -1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5251 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6418 -3.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6302 -4.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 -1.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -0.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0772 -0.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0584 -2.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 5.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 5.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 4.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6231 -5.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 9 1 0 0 0 0 6 18 2 0 0 0 0 7 13 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 3 0 0 0 0 29 52 1 0 0 0 0 M END $$$$ D00240 -OEChem-05072121472D 55 58 0 1 0 0 0 0 0999 V2000 6.5000 -1.4895 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9869 4.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 0.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 4.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -3.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 3.3401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4647 2.3742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6903 3.0290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2437 1.5085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4146 2.0677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1225 2.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9823 4.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6894 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0164 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2753 -0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2412 -0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9142 -0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 -1.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1389 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7248 -2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3978 -2.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 -2.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9154 -4.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1742 -5.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0817 2.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 1.0991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 2.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7164 2.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3174 3.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 4.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 4.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 3.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1028 0.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 0.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1087 5.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8369 -0.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 -0.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9682 0.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5773 -0.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2864 -3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9966 -2.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 -4.1438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9695 -3.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 -5.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3347 -5.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7731 -5.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 11 4 1 6 0 0 0 4 38 1 0 0 0 0 12 5 1 6 0 0 0 5 39 1 0 0 0 0 13 6 1 1 0 0 0 6 40 1 0 0 0 0 7 15 1 0 0 0 0 7 43 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 6 0 0 0 10 12 1 0 0 0 0 10 16 1 1 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$ D00241 -OEChem-05072121472D 118120 0 1 0 0 0 0 0999 V2000 5.4641 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -3.8132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 4.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8910 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 3.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 3.5528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 3.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 3.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4886 4.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 0.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 -0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.5779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 1.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -0.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 -3.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1182 -4.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -4.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9965 4.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 4.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9807 4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 4.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 4.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 2.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -5.2162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 22 1 1 1 0 0 0 18 2 1 1 0 0 0 23 2 1 6 0 0 0 17 3 1 6 0 0 0 3 79 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 23 1 0 0 0 0 5 34 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 24 7 1 6 0 0 0 7 51 1 0 0 0 0 26 8 1 6 0 0 0 8103 1 0 0 0 0 30 9 1 6 0 0 0 9104 1 0 0 0 0 32 10 1 6 0 0 0 10105 1 0 0 0 0 35 11 1 6 0 0 0 11106 1 0 0 0 0 12 36 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 1 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 1 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 6 0 0 0 20 57 1 0 0 0 0 21 36 1 0 0 0 0 21 41 1 6 0 0 0 21 58 1 0 0 0 0 22 26 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 33 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 34 1 0 0 0 0 30 71 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 43 1 6 0 0 0 31 72 1 0 0 0 0 32 35 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 46 1 1 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 37 47 1 1 0 0 0 37 77 1 0 0 0 0 38 45 1 1 0 0 0 38 78 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 50 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 M END $$$$ D00242 -OEChem-05072121472D 45 47 0 1 0 0 0 0 0999 V2000 9.6504 1.8609 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 1.8378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1030 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2204 0.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 1.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1332 -0.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9276 1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8404 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 2.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1696 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1257 1.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 0.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -2.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -2.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 1.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 2.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 1.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1969 -0.9233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8638 2.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5092 0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 2.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 3.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 2.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 3 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$ D00243 -OEChem-05072121472D 38 40 0 1 0 0 0 0 0999 V2000 3.9491 1.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -2.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 2.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.3494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -2.8494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 0.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3830 0.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 0.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -1.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 2.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 3.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7129 1.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 1.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 0.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -2.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -0.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -1.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 -0.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -1.7598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -3.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -2.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 3.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8096 4.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 21 1 0 0 0 0 2 17 2 0 0 0 0 3 21 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$ D00244 -OEChem-05072121472D 43 45 0 1 0 0 0 0 0999 V2000 7.9939 0.1690 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 11.4939 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 8 1 1 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$ D00245 -OEChem-05072121472D 32 35 0 0 0 0 0 0 0999 V2000 2.0000 -0.5391 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.8661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 0.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -2.1525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -3.0275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 -0.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -2.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 2.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 -0.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 0.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 0.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -3.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -2.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 0.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 2.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 3.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 8 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 14 2 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$ D00246 -OEChem-05072121472D 44 47 0 1 0 0 0 0 0999 V2000 9.1857 2.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.8575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.6425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -0.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 1.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 1.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -0.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -2.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7924 2.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -2.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 40 1 0 0 0 0 2 20 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 6 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 1 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 6 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$ D00247 -OEChem-05072121472D 60 63 0 1 0 0 0 0 0999 V2000 3.7205 -3.4627 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.9781 3.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 -0.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.9661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 2.0796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7213 1.0796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8552 0.5796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9892 1.0796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6675 2.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8552 2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6675 0.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2511 1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 3.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 0.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9732 -0.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1524 1.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 0.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -1.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -2.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8112 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5946 0.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7253 1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 2.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 3.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4567 3.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4164 0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2049 0.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7772 2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 1.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 1.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0893 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4804 -0.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3413 3.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7213 3.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1013 3.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 -1.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3742 -1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 1.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -1.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 0.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8021 -2.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2033 -1.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 0.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 0.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5145 -1.8793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -2.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -1.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -1.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 11 3 1 1 0 0 0 3 49 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 25 2 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 6 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 1 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 6 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M END $$$$ D00248 -OEChem-05072121472D 44 46 0 1 0 0 0 0 0999 V2000 3.7320 -1.4701 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4634 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.2461 2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.9667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2287 -2.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 1.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9892 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1232 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 0.0789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1232 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9354 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2572 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9354 1.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5190 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 2.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1392 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2412 -1.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3391 -1.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4203 0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 -0.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0792 -0.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5217 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 2.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9933 0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6844 -0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4728 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 1.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 0.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 0.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9892 2.6989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3692 2.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 -1.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8439 -2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 -2.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 0.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 -2.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 6 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 29 1 6 0 0 0 12 19 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ D00249 -OEChem-05072121472D 62 65 0 1 0 0 0 0 0999 V2000 1.4022 1.1692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9163 4.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 0.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 7.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 9.9951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6594 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7934 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9273 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7934 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9273 3.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 4.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1892 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0905 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1343 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 9.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 8.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 9.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 8.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5328 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6635 3.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1919 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1430 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 4.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 3.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0275 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 3.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6594 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0394 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3124 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1024 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0763 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 10.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 9.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 9.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 10.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9031 7.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 8.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 8.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 7.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 7.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 10.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 2 17 2 0 0 0 0 3 26 1 0 0 0 0 4 52 1 0 0 0 0 7 28 1 0 0 0 0 7 30 1 0 0 0 0 7 61 1 0 0 0 0 8 27 1 0 0 0 0 8 29 1 0 0 0 0 8 62 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 6 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 1 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 33 1 6 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END $$$$ D00250 -OEChem-05072121472D 44 47 0 1 0 0 0 0 0999 V2000 9.2619 -2.2732 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3426 0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -4.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.1769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.4072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 1.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 2.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.4685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3211 0.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -3.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 2.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 1.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6308 0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 1.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 3.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 2.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4678 2.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3035 2.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 -1.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 3.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 4.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 4.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 15 2 1 6 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 20 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 19 2 0 0 0 0 9 24 1 0 0 0 0 10 21 2 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 25 2 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 M END $$$$ D00251 -OEChem-05072121472D 31 31 0 0 0 0 0 0 0999 V2000 2.0000 1.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 9 2 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 6 19 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 2 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END $$$$ D00252 -OEChem-05072121482D 38 37 0 1 0 0 0 0 0999 V2000 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 12 1 0 0 0 0 2 38 1 0 0 0 0 5 3 1 1 0 0 0 3 7 1 0 0 0 0 3 21 1 0 0 0 0 6 4 1 1 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 M END $$$$ D00253 -OEChem-05072121482D 21 21 0 0 0 0 0 0 0999 V2000 2.8660 1.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 2 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ D00254 -OEChem-05072121482D 21 21 0 1 0 0 0 0 0999 V2000 5.5202 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.1030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.4358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2601 0.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 0.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 0.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8801 1.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 1.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 1.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 9 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 M END $$$$ D00255 -OEChem-05072121482D 27 28 0 1 0 0 0 0 0999 V2000 5.1588 0.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 2.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -0.1307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2077 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8987 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 -0.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 2.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6461 3.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 3.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5133 2.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -3.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$ D00256 -OEChem-05072121482D 19 18 0 0 0 0 0 0 0999 V2000 4.8520 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3520 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 M END $$$$ D00257 -OEChem-05072121482D 42 44 0 1 0 0 0 0 0999 V2000 7.6255 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3478 1.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8317 -0.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9071 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3036 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 -2.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -2.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3687 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 1.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -2.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 2.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -2.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 1.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 1.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -0.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -2.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 1.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 1.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 0.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9396 1.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 42 1 0 0 0 0 3 17 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ D00258 -OEChem-05072121482D 74 80 0 1 0 0 0 0 0999 V2000 4.2690 -0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.7902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 3.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -0.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 3.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -4.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 -4.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.7846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.7846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -1.7846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 0.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6041 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.7154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 2.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2250 -2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 -3.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 2.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -3.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 -3.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 4.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -4.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1471 5.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3140 0.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 -1.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2111 1.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 0.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0018 3.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 1.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5576 -3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2496 2.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 2.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 4.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 -5.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 5.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 5.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 5.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -2.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -1.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -4.7477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -5.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 22 1 1 1 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 25 1 0 0 0 0 4 35 1 0 0 0 0 5 21 2 0 0 0 0 24 6 1 6 0 0 0 6 61 1 0 0 0 0 7 30 1 0 0 0 0 7 35 1 0 0 0 0 26 8 1 1 0 0 0 8 62 1 0 0 0 0 9 31 1 0 0 0 0 9 38 1 0 0 0 0 10 32 1 0 0 0 0 10 38 1 0 0 0 0 11 36 1 0 0 0 0 11 41 1 0 0 0 0 12 37 1 0 0 0 0 12 42 1 0 0 0 0 13 39 1 0 0 0 0 13 68 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 14 43 1 6 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 44 1 1 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 28 2 0 0 0 0 19 29 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 33 2 0 0 0 0 23 34 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 1 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 27 53 1 6 0 0 0 28 31 1 0 0 0 0 28 54 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 33 37 1 0 0 0 0 33 58 1 0 0 0 0 34 36 2 0 0 0 0 34 59 1 0 0 0 0 35 40 1 6 0 0 0 35 60 1 0 0 0 0 36 39 1 0 0 0 0 37 39 2 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 M END $$$$ D00259 -OEChem-05072121482D 43 45 0 0 0 0 0 0 0999 V2000 3.7320 2.8450 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 37 1 0 0 0 0 4 17 2 0 0 0 0 4 18 1 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 21 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 27 3 0 0 0 0 8 28 3 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 27 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ D00260 -OEChem-05072121482D 151154 0 1 0 0 0 0 0999 V2000 8.2865 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1658 -1.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 3.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 -0.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6916 0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0194 2.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 -4.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8113 1.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 -0.1040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 1.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -0.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 2.9112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8075 0.3227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5734 -0.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9811 1.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 -1.3049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4602 -1.6470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6941 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2151 1.9502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2151 2.9502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3491 1.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 3.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 3.4112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5512 0.9292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6774 0.4112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3468 -2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 -1.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4329 0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 4.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4289 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9922 -2.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 3.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 3.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 4.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 4.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 1.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 3.6914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8113 1.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1880 1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 -3.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 -1.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2583 4.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 2.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 2.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.1183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9453 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 1.4112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6344 3.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -0.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2133 -1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 0.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -0.0888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8831 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -1.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1152 0.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3901 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1560 -0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -0.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5637 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2911 1.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 -1.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 -2.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1115 -0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3841 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6782 2.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9512 2.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 1.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8121 1.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6591 0.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 3.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 3.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2092 3.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1481 1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2392 -2.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7268 -2.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9641 -1.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 0.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6442 1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6357 -1.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0402 -0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7333 4.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3347 4.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3816 -2.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8845 -3.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 -3.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8894 2.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 3.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 5.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4128 5.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 4.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8894 4.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 -2.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0759 -2.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 4.0689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6660 1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5829 2.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 2.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2809 -4.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 -3.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 -0.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8572 4.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 5.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 4.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 2.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1258 -4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 1.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3253 -2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 -2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 -0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 3.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 4.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 3.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9100 0.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 0.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4859 -0.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -0.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2133 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -0.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -0.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 -1.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 0.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4252 1.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5782 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 1.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 1 30 1 0 0 0 0 20 2 1 1 0 0 0 2 36 1 0 0 0 0 3 24 1 0 0 0 0 3 33 1 0 0 0 0 4 29 1 0 0 0 0 4 31 1 0 0 0 0 29 5 1 6 0 0 0 5116 1 0 0 0 0 6 33 2 0 0 0 0 7 37 2 0 0 0 0 8 42 2 0 0 0 0 9 46 1 0 0 0 0 9121 1 0 0 0 0 10 44 2 0 0 0 0 47 11 1 1 0 0 0 11 57 1 0 0 0 0 52 12 1 6 0 0 0 12138 1 0 0 0 0 55 13 1 1 0 0 0 13 68 1 0 0 0 0 14 58 2 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 1 0 0 0 16 69 1 0 0 0 0 17 20 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 22 1 0 0 0 0 18 72 1 0 0 0 0 18 73 1 0 0 0 0 19 23 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 20 21 1 0 0 0 0 20 76 1 0 0 0 0 21 22 1 0 0 0 0 21 77 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 1 0 0 0 23 80 1 0 0 0 0 24 26 1 0 0 0 0 24 81 1 1 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 37 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 87 1 1 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 45 1 6 0 0 0 28 88 1 0 0 0 0 29 42 1 0 0 0 0 30 46 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 35 1 0 0 0 0 31 41 1 0 0 0 0 31 91 1 6 0 0 0 32 35 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 34 39 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 35 94 1 0 0 0 0 35 95 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 36100 1 0 0 0 0 37 43 1 0 0 0 0 38 40 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39 40 1 0 0 0 0 39103 1 0 0 0 0 39104 1 0 0 0 0 40105 1 0 0 0 0 40106 1 0 0 0 0 41 47 1 0 0 0 0 41107 1 0 0 0 0 41108 1 0 0 0 0 42 44 1 0 0 0 0 43 48 1 1 0 0 0 43 49 1 0 0 0 0 43109 1 0 0 0 0 45110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 46113 1 0 0 0 0 46114 1 0 0 0 0 47 50 1 0 0 0 0 47115 1 0 0 0 0 48117 1 0 0 0 0 48118 1 0 0 0 0 48119 1 0 0 0 0 49 51 2 0 0 0 0 49120 1 0 0 0 0 50 53 1 0 0 0 0 50 54 2 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 55 1 0 0 0 0 52122 1 0 0 0 0 53123 1 0 0 0 0 53124 1 0 0 0 0 53125 1 0 0 0 0 54 60 1 0 0 0 0 54126 1 0 0 0 0 55 58 1 0 0 0 0 55127 1 0 0 0 0 56128 1 0 0 0 0 56129 1 0 0 0 0 56130 1 0 0 0 0 57131 1 0 0 0 0 57132 1 0 0 0 0 57133 1 0 0 0 0 58 59 1 0 0 0 0 59 61 1 0 0 0 0 59 63 1 1 0 0 0 59134 1 0 0 0 0 60 64 2 0 0 0 0 60135 1 0 0 0 0 61 62 1 0 0 0 0 61136 1 0 0 0 0 61137 1 0 0 0 0 62 65 1 0 0 0 0 62 66 1 6 0 0 0 62139 1 0 0 0 0 63140 1 0 0 0 0 63141 1 0 0 0 0 63142 1 0 0 0 0 64 67 1 0 0 0 0 64143 1 0 0 0 0 65 67 2 0 0 0 0 65144 1 0 0 0 0 66145 1 0 0 0 0 66146 1 0 0 0 0 66147 1 0 0 0 0 67148 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 68151 1 0 0 0 0 M END $$$$ D00261 -OEChem-05072121482D 46 49 0 1 0 0 0 0 0999 V2000 8.6500 2.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.0930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 1.4070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.4070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.0998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -1.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 1.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -1.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 1.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 2.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 2.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.9049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 1.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 0.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1132 -2.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 -2.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 6 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 1 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 6 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 1 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 21 2 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 M END $$$$ D00262 -OEChem-05072121482D 51 54 0 1 0 0 0 0 0999 V2000 2.0000 0.3435 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 4.6736 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 2.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 0.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -4.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4142 0.3435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7071 -0.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4142 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -1.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9142 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 1.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5731 -1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 2.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5731 -2.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -2.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7071 -3.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 2.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 3.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4142 3.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 -0.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1343 -0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 -0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9968 0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0219 1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 1.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5342 1.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -1.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -1.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1101 -3.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -3.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0342 0.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 2.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7242 1.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 4.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5342 2.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -4.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 3 10 2 0 0 0 0 14 4 1 1 0 0 0 4 44 1 0 0 0 0 5 22 1 0 0 0 0 5 51 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 1 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 24 2 0 0 0 0 18 41 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 29 2 0 0 0 0 26 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$ D00263 -OEChem-05072121482D 40 41 0 0 0 0 0 0 0999 V2000 5.1350 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$ D00264 -OEChem-05072121482D 42 43 0 0 0 0 0 0 0999 V2000 7.3239 1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 2.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.8461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.4556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 -0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 2.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9487 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 3.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2594 2.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 0.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 -1.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 -0.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -0.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 1.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 -0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -2.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5560 3.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1593 4.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3774 3.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8487 2.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4520 3.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ D00265 -OEChem-05072121482D 38 39 0 0 0 0 0 0 0999 V2000 3.7891 1.9571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 3.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 4.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -4.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -5.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 4.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 4.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 22 1 0 0 0 0 3 38 1 0 0 0 0 4 22 2 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 21 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$ D00266 -OEChem-05072121482D 31 31 0 0 0 0 0 0 0999 V2000 5.4641 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$ D00267 -OEChem-05072121482D 44 45 0 1 0 0 0 0 0999 V2000 8.1810 1.4836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 0.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$ D00268 -OEChem-05072121482D 46 47 0 0 0 0 0 0 0999 V2000 8.9282 4.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -2.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -3.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -2.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -0.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 9 2 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 13 18 2 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$ D00269 -OEChem-05072121482D 37 38 0 0 0 0 0 0 0999 V2000 8.0622 4.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -3.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -0.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 35 1 0 0 0 0 4 10 2 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$ D00270 -OEChem-05072121482D 32 33 0 1 0 0 0 0 0999 V2000 2.8660 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 M END $$$$ D00271 -OEChem-05072121482D 53 55 0 0 0 0 0 0 0999 V2000 2.0000 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 20 1 0 0 0 0 15 41 1 0 0 0 0 16 21 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 M END $$$$ D00272 -OEChem-05072121482D 67 68 0 1 0 0 0 0 0999 V2000 4.5981 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 25 1 0 0 0 0 2 67 1 0 0 0 0 3 27 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 7 6 1 6 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 35 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 36 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 37 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 50 1 0 0 0 0 18 23 1 0 0 0 0 18 51 1 0 0 0 0 19 24 2 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 2 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 M END $$$$ D00273 -OEChem-05072121482D 76 79 0 1 0 0 0 0 0999 V2000 4.1350 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 3.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 5.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 3.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 5.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 5.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 3.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 5.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 3.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 5.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 8.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7550 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 -5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 65 1 0 0 0 0 3 37 1 0 0 0 0 3 76 1 0 0 0 0 4 37 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 38 1 0 0 0 0 7 10 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 11 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 1 0 0 0 0 17 54 1 0 0 0 0 18 23 1 0 0 0 0 18 55 1 0 0 0 0 19 24 2 0 0 0 0 19 56 1 0 0 0 0 20 25 2 0 0 0 0 20 57 1 0 0 0 0 21 26 1 0 0 0 0 21 58 1 0 0 0 0 22 27 2 0 0 0 0 22 59 1 0 0 0 0 23 28 2 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 33 1 0 0 0 0 29 66 1 0 0 0 0 30 34 2 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 M END $$$$ D00274 -OEChem-05072121482D 146149 0 1 0 0 0 0 0999 V2000 4.2690 -9.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3016 -1.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 6.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0632 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 6.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -6.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -5.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7212 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6732 0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2865 -1.2340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0524 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4432 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1002 6.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2532 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 6.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1386 0.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5091 -0.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 0.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 9.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 9.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0906 0.3483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8852 -0.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 0.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1305 -2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0244 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7798 -1.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4510 -1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 -0.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6538 -0.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -8.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -7.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9031 -0.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 69 1 0 0 0 0 2 70 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 25 4 1 6 0 0 0 28 4 1 1 0 0 0 22 5 1 1 0 0 0 5 32 1 0 0 0 0 23 6 1 6 0 0 0 6 85 1 0 0 0 0 24 7 1 6 0 0 0 7 86 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 34 9 1 6 0 0 0 9 53 1 0 0 0 0 36 10 1 1 0 0 0 10 55 1 0 0 0 0 39 11 1 1 0 0 0 11 51 1 0 0 0 0 35 12 1 1 0 0 0 12113 1 0 0 0 0 13 32 2 0 0 0 0 47 14 1 6 0 0 0 14131 1 0 0 0 0 15 57 1 0 0 0 0 15 63 1 0 0 0 0 16 53 2 0 0 0 0 61 17 1 6 0 0 0 17141 1 0 0 0 0 18 63 2 0 0 0 0 19 66 1 0 0 0 0 19145 1 0 0 0 0 20 71 1 0 0 0 0 20146 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 73 1 0 0 0 0 23 24 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 75 1 0 0 0 0 25 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 83 1 0 0 0 0 29 31 1 6 0 0 0 29 33 1 0 0 0 0 29 84 1 0 0 0 0 30 40 1 0 0 0 0 30 41 2 0 0 0 0 31 43 1 0 0 0 0 31 87 1 0 0 0 0 31 88 1 0 0 0 0 32 37 1 0 0 0 0 33 42 2 0 0 0 0 33 89 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 34 90 1 0 0 0 0 35 36 1 0 0 0 0 35 91 1 0 0 0 0 36 39 1 0 0 0 0 36 92 1 0 0 0 0 37 45 1 0 0 0 0 37 46 1 0 0 0 0 37 94 1 0 0 0 0 38 44 1 1 0 0 0 38 93 1 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 48 1 0 0 0 0 41 99 1 0 0 0 0 42 47 1 0 0 0 0 42 49 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 44105 1 0 0 0 0 45106 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 50 1 0 0 0 0 47112 1 0 0 0 0 48 52 2 0 0 0 0 48 54 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 50 59 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 51 58 1 0 0 0 0 51119 1 0 0 0 0 51120 1 0 0 0 0 52 56 1 0 0 0 0 52121 1 0 0 0 0 53 60 1 0 0 0 0 54125 1 0 0 0 0 54126 1 0 0 0 0 54127 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 56 57 1 0 0 0 0 56128 1 0 0 0 0 56129 1 0 0 0 0 57 61 1 0 0 0 0 57130 1 1 0 0 0 58 62 2 0 0 0 0 58 63 1 0 0 0 0 59 64 2 0 0 0 0 59132 1 0 0 0 0 60 65 2 0 0 0 0 60 66 1 0 0 0 0 61 67 1 0 0 0 0 61133 1 0 0 0 0 62 64 1 0 0 0 0 62134 1 0 0 0 0 64135 1 0 0 0 0 65 68 1 0 0 0 0 65 69 1 0 0 0 0 66 70 2 0 0 0 0 67136 1 0 0 0 0 67137 1 0 0 0 0 67138 1 0 0 0 0 68 72 1 0 0 0 0 68139 1 0 0 0 0 68140 1 0 0 0 0 69 71 2 0 0 0 0 70 71 1 0 0 0 0 72142 1 0 0 0 0 72143 1 0 0 0 0 72144 1 0 0 0 0 M END $$$$ D00275 -OEChem-05072121482D 63 66 0 1 0 0 0 0 0999 V2000 7.9821 2.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.9203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 1.6393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.8222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.1778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -1.3222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.3290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 0.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6451 -2.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.4331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2498 3.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8897 2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 2.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 0.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -3.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.9767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0425 1.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8391 3.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4424 4.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6605 3.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6970 1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 2.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0823 2.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1812 3.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3993 3.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 2.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 23 2 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 3 52 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 28 1 6 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 6 0 0 0 9 16 1 0 0 0 0 9 19 1 1 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 1 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 6 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 M END $$$$ D00276 -OEChem-05072121482D 55 55 0 0 0 0 0 0 0999 V2000 4.8301 5.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 3.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 4.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9127 4.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2225 5.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -5.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 5.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 3.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 51 1 0 0 0 0 2 8 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 M END $$$$ D00277 -OEChem-05072121482D 54 57 0 0 0 0 0 0 0999 V2000 3.6972 -0.0174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 1.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 0.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 4.5271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -2.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -3.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 -4.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -4.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 3.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 3.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 0.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 -2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -3.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3437 -3.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 -2.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -3.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 -4.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -4.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -3.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 -5.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -4.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6298 -0.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 -1.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 -1.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3181 -0.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 1.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 4.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 3.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3479 2.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5748 3.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7279 4.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 2.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 -0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 1.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3069 0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$ D00278 -OEChem-05072121482D 48 49 0 1 0 0 0 0 0999 V2000 3.3660 0.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -2.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 7 18 2 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$ D00279 -OEChem-05072121482D 49 52 0 0 0 0 0 0 0999 V2000 5.5172 5.1705 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 5.0941 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 3.7584 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.8645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.0366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.9717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.5812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 3.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 -0.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 -1.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 0.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -1.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.4016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.9339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9356 2.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6027 1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 3.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 4.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 17 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$ D00280 -OEChem-05072121482D 34 36 0 0 0 0 0 0 0999 V2000 2.0000 -0.3512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 1.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 -0.8457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 -0.1876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 0.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 0.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 1.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 18 2 0 0 0 0 8 21 1 0 0 0 0 9 19 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END $$$$ D00281 -OEChem-05072121482D 13 13 0 0 0 0 0 0 0999 V2000 2.5369 1.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 9 11 1 0 0 0 0 M END $$$$ D00282 -OEChem-05072121482D 56 59 0 1 0 0 0 0 0999 V2000 5.0182 0.3722 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 11 2 1 6 0 0 0 2 49 1 0 0 0 0 14 3 1 1 0 0 0 3 52 1 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 56 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 29 1 1 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END $$$$ D00283 -OEChem-05072121482D 40 41 0 1 0 0 0 0 0999 V2000 7.3301 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$ D00284 -OEChem-05072121482D 53 56 0 1 0 0 0 0 0999 V2000 5.0182 0.6870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 1.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.9209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 2.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.9406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 2.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 9 2 1 1 0 0 0 2 49 1 0 0 0 0 12 3 1 1 0 0 0 3 52 1 0 0 0 0 4 24 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 6 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 26 1 1 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 1 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 M END $$$$ D00285 -OEChem-05072121482D 56 59 0 0 0 0 0 0 0999 V2000 7.1962 -4.2927 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5904 -1.7652 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2296 -3.1326 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2229 -1.4044 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -4.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -4.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -4.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -4.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 17 1 0 0 0 0 5 54 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$ D00286 -OEChem-05072121482D 50 52 0 0 0 0 0 0 0999 V2000 7.0444 1.7043 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5096 2.3932 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -0.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -3.0734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.5811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 -2.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5774 -3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -3.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4885 -4.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 3.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 4.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 4.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 -1.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -1.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7515 -1.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -2.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -3.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -3.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 -3.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 -2.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 1.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 0.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -4.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 -5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 -4.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -4.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 -4.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -4.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -0.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 3.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 4.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 4.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 19 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 20 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 22 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$ D00287 -OEChem-05072121482D 31 32 0 1 0 0 0 0 0999 V2000 2.0000 0.9050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 M END $$$$ D00288 -OEChem-05072121482D 30 30 0 0 0 0 0 0 0999 V2000 3.5981 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$ D00289 -OEChem-05072121482D 56 58 0 1 0 0 0 0 0999 V2000 5.9209 4.0355 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -4.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.4374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2619 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -2.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -2.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -3.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -2.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -2.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -4.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 18 2 1 1 0 0 0 2 54 1 0 0 0 0 21 3 1 1 0 0 0 3 55 1 0 0 0 0 4 30 1 0 0 0 0 4 56 1 0 0 0 0 5 30 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 12 20 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$ D00290 -OEChem-05072121482D 43 43 0 0 0 0 0 0 0999 V2000 6.1350 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 11 2 0 0 0 0 7 22 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00291 -OEChem-05072121482D 51 53 0 1 0 0 0 0 0999 V2000 15.5875 -0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 -3.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 -3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.2329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.7496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.3117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -0.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8516 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 -2.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 0.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 -1.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 -1.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 0.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 2.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 0.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 47 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 26 1 0 0 0 0 4 49 1 0 0 0 0 5 26 2 0 0 0 0 6 31 2 0 0 0 0 14 7 1 6 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 9 27 1 0 0 0 0 9 28 2 0 0 0 0 10 29 1 0 0 0 0 10 30 2 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 48 1 0 0 0 0 12 30 1 0 0 0 0 12 32 2 0 0 0 0 13 32 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 26 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 27 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$ D00292 -OEChem-05072121482D 75 77 0 1 0 0 0 0 0999 V2000 4.5981 -1.4462 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.4198 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 4.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4462 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.5538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.5538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 5.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 4.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 5.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 4.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 6.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 5.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6657 3.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4773 3.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 6.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9533 6.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.1362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 3.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 2.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 2 0 0 0 0 15 3 1 1 0 0 0 22 4 1 1 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 8 72 1 0 0 0 0 9 73 1 0 0 0 0 10 27 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 16 13 1 1 0 0 0 13 27 1 0 0 0 0 13 49 1 0 0 0 0 14 39 1 0 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 0 0 0 0 21 30 2 0 0 0 0 21 31 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 22 50 1 0 0 0 0 23 32 2 0 0 0 0 23 33 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 34 1 0 0 0 0 30 63 1 0 0 0 0 31 35 2 0 0 0 0 31 64 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 33 37 2 0 0 0 0 33 66 1 0 0 0 0 34 38 2 0 0 0 0 34 67 1 0 0 0 0 35 38 1 0 0 0 0 35 68 1 0 0 0 0 36 39 2 0 0 0 0 36 69 1 0 0 0 0 37 39 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 M END $$$$ D00293 -OEChem-05072121482D 85 87 0 1 0 0 0 0 0999 V2000 7.1168 1.9172 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.3644 1.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 2.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 3.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 0.4037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -1.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4467 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.4037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5807 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -4.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8213 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 2.6217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6303 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5258 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1004 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 0.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2814 3.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 -2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 -1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 4.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0393 -3.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0574 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9529 -3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8637 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -1.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 -1.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -1.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 -1.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -3.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -4.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -4.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -3.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -4.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -4.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 0.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5218 1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1976 1.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 0.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -0.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9021 0.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 -1.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -1.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0356 0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1652 2.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 1.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6639 -3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3132 -0.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0401 4.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 4.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -4.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 -1.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4544 -3.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7989 3.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4804 3.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 4.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 61 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 7 25 1 0 0 0 0 7 32 1 0 0 0 0 8 32 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 1 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 21 1 1 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 26 28 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 76 1 0 0 0 0 34 37 2 0 0 0 0 34 77 1 0 0 0 0 35 39 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 2 0 0 0 0 36 80 1 0 0 0 0 37 38 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 M END $$$$ D00294 -OEChem-05072121482D 35 37 0 1 0 0 0 0 0999 V2000 8.4097 -2.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 1.5952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 -1.2654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 -1.0612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -0.5196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6657 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3507 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0356 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0562 -0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7224 -1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 -0.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4394 -1.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1957 -1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 0.9615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 1.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 1.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8507 2.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1728 -1.8543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 -1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8599 1.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 -0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -0.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -1.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 0.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1144 -1.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8952 -0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 5 3 1 6 0 0 0 3 16 1 0 0 0 0 3 27 1 0 0 0 0 4 18 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 M END $$$$ D00295 -OEChem-05072121482D 32 33 0 0 0 0 0 0 0999 V2000 2.0000 1.8644 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8644 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -3.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -3.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 6 18 1 0 0 0 0 6 32 1 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$ D00296 -OEChem-05072121482D 29 29 0 0 0 0 0 0 0999 V2000 5.8100 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 0.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -0.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -0.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 0.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 -1.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 -1.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7274 1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 29 1 0 0 0 0 2 12 2 0 0 0 0 3 11 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ D00297 -OEChem-05072121482D 42 45 0 1 0 0 0 0 0999 V2000 4.8885 0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -1.9881 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2493 0.0390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7341 0.9612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4664 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 -1.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 1.8973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2493 -2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 1.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 -2.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 1.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -0.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6288 -0.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 2.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -2.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -2.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3539 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -3.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1381 -3.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 -2.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2728 2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 14 2 1 1 0 0 0 2 39 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 6 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 16 2 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$ D00298 -OEChem-05072121482D 31 32 0 0 0 0 0 0 0999 V2000 7.3704 0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 2.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.7294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -2.3389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 1.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 0.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 0.3085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 0.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 1.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 2.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -1.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5769 2.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 3.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 29 1 0 0 0 0 4 17 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 12 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 27 1 0 0 0 0 9 18 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$ D00299 -OEChem-05072121482D 55 58 0 0 0 0 0 0 0999 V2000 12.3739 -3.5272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.1174 -2.5473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -0.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2687 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2572 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 -2.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4157 0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8092 -0.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 31 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 48 1 0 0 0 0 8 21 1 0 0 0 0 8 25 2 0 0 0 0 9 23 2 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 47 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 49 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$ D00300 -OEChem-05072121482D 40 40 0 0 0 0 0 0 0999 V2000 3.7320 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D00301 -OEChem-05072121482D 48 51 0 1 0 0 0 0 0999 V2000 8.6651 1.9349 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6517 0.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -0.1134 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8950 -0.1239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2414 -0.3552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1405 -2.3434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7432 -1.3200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7658 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5802 0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2465 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1464 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6466 0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 -0.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 -1.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -2.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2176 -1.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 -1.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1458 -1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6986 -1.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0832 0.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2723 0.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5442 -2.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1872 -2.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 2.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3905 -2.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5069 -1.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7090 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2634 0.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5842 1.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 27 1 0 0 0 0 4 45 1 0 0 0 0 5 27 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 19 2 0 0 0 0 10 22 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 39 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 26 2 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$ D00302 -OEChem-05072121482D 68 70 0 0 0 0 0 0 0999 V2000 4.8198 2.8807 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 3.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8198 2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -4.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -2.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 5.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 3.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -4.1193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 6.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 7.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 5.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 6.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 7.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -5.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1756 -6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -3.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7688 -7.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 7.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 5.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 5.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8945 5.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 7.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0194 7.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0194 4.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 4.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3398 7.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9413 6.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4600 6.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 7.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 7.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1489 5.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 4.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -4.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 -4.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 -6.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 -6.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0319 -1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 -1.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7418 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -1.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -6.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -6.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -6.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 1.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 -7.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -7.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -7.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 5 23 2 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 18 1 0 0 0 0 8 49 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 9 27 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 63 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 24 34 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 M END $$$$ D00303 -OEChem-05072121482D 58 60 0 0 0 0 0 0 0999 V2000 4.5981 2.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 7.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 6.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 5.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 6.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 7.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -7.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -7.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 5 26 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 53 1 0 0 0 0 9 27 2 0 0 0 0 9 30 1 0 0 0 0 10 28 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D00304 -OEChem-05072121492D 61 63 0 0 0 0 0 0 0999 V2000 6.3301 -6.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 6 26 2 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 45 1 0 0 0 0 9 17 1 0 0 0 0 9 46 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$ D00305 -OEChem-05072121492D 52 53 0 1 0 0 0 0 0999 V2000 3.2809 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.9030 6.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 5.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 7.4860 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4908 7.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 6.9860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4418 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 6.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2120 7.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 7.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 8.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 8.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 7.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7508 8.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 8.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 8.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 6.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5707 5.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0584 6.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8505 6.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 5.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 5.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 7.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 7.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 7.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2839 7.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 8.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 9.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 9.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 8.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 6.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 7.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4418 8.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3405 8.2455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 9.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 8.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 6.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 11 1 0 0 0 0 3 47 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 23 2 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$ D00306 -OEChem-05072121492D 41 43 0 1 0 0 0 0 0999 V2000 6.5792 1.3858 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -1.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -0.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -4.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5687 3.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -1.0354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6786 -1.5354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6786 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4106 -1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4106 -2.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0654 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 -1.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0721 4.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 -0.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -2.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 -3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5861 -1.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 -1.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8014 -2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9475 -2.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 2.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8326 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6796 -1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 2.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 2.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 1.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 4.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 4.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5339 3.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 8 2 1 6 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 16 2 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 25 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 17 2 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$ D00307 -OEChem-05072121492D 28 28 0 1 0 0 0 0 0999 V2000 4.5981 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$ D00308 -OEChem-05072121492D 24 24 0 0 0 0 0 0 0999 V2000 2.0000 -1.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 15 2 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$ D00309 -OEChem-05072121492D 9 8 0 0 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 M END $$$$ D00310 -OEChem-05072121492D 49 51 0 0 0 0 0 0 0999 V2000 6.5981 6.2320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 3.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 5.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 26 1 0 0 0 0 3 6 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 2 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 M END $$$$ D00311 -OEChem-05072121492D 20 21 0 0 0 0 0 0 0999 V2000 4.6660 -0.9573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 11 2 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ D00312 -OEChem-05072121492D 25 26 0 0 0 0 0 0 0999 V2000 3.4030 1.2327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -1.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 0.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 1.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 M END $$$$ D00313 -OEChem-05072121492D 43 47 0 1 0 0 0 0 0999 V2000 2.2314 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.4511 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3370 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 1 0 0 0 7 12 1 0 0 0 0 7 24 1 6 0 0 0 8 16 1 0 0 0 0 8 25 1 1 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 17 20 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D00314 -OEChem-05072121492D 56 59 0 1 0 0 0 0 0999 V2000 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 49 1 0 0 0 0 13 2 1 1 0 0 0 2 52 1 0 0 0 0 3 22 2 0 0 0 0 4 26 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 28 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 6 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 1 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$ D00315 -OEChem-05072121492D 40 44 0 1 0 0 0 0 0999 V2000 2.2314 -0.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.2611 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3370 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 40 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 1 0 0 0 7 12 1 0 0 0 0 7 23 1 6 0 0 0 8 16 1 0 0 0 0 8 24 1 1 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 20 2 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$ D00316 -OEChem-05072121492D 49 50 0 1 0 0 0 0 0999 V2000 2.0000 -4.6618 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.8623 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 -1.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -4.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2622 1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -4.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -4.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -4.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 -0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 -0.2203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 0.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -0.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 1.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -1.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 3.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 2.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -2.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 -1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 2.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 3.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1703 1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 2.1723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 2.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -2.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -4.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -5.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -2.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 4.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 49 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 M END $$$$ D00317 -OEChem-05072121492D 9 8 0 0 0 0 0 0 0999 V2000 5.1350 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 5 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ D00318 -OEChem-05072121492D 53 55 0 1 0 0 0 0 0999 V2000 2.0000 -5.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 53 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 20 2 0 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$ D00319 -OEChem-05072121492D 42 41 0 1 0 0 0 0 0999 V2000 5.1432 -2.1168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -3.1168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -3.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -1.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -2.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -3.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 -1.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -4.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 -0.1232 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2772 -2.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 4.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -0.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2608 -0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 1.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 0.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 3.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -4.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 3.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -0.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -2.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -3.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 -2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 4.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 4.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 4.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END $$$$ D00320 -OEChem-05072121492D 33 33 0 1 0 0 0 0 0999 V2000 4.5981 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 33 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END $$$$ D00321 -OEChem-05072121492D 58 57 0 0 0 0 0 0 0999 V2000 3.7320 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 6 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 10 12 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 23 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$ D00322 -OEChem-05072121492D 49 53 0 1 0 0 0 0 0999 V2000 2.9176 -3.3220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 2.8796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 3.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 -0.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 0.2495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 2.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 4.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 10 4 1 1 0 0 0 4 18 1 0 0 0 0 4 35 1 0 0 0 0 5 11 2 0 0 0 0 5 15 1 0 0 0 0 6 18 2 0 0 0 0 6 31 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 7 44 1 0 0 0 0 8 24 1 0 0 0 0 8 30 2 0 0 0 0 9 24 1 0 0 0 0 9 31 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 28 2 0 0 0 0 23 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$ D00323 -OEChem-05072121492D 58 61 0 0 0 0 0 0 0999 V2000 2.0000 -5.7581 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -5.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0546 1.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7189 2.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -1.1018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -4.7581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -3.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7654 0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0761 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3438 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 3.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 4.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2973 5.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 3.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2758 5.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -3.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 -3.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4473 -2.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 -1.9665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8046 -2.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6910 -2.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5267 -1.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4772 -0.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -1.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -0.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 -0.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3793 -0.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 1.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 1.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7578 1.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2611 3.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5126 3.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 3.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5896 3.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4036 4.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8824 5.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1479 5.8267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 29 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D00324 -OEChem-05072121492D 68 72 0 0 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 23 1 0 0 0 0 5 29 1 0 0 0 0 5 59 1 0 0 0 0 6 29 1 0 0 0 0 6 30 2 0 0 0 0 7 29 2 0 0 0 0 7 33 1 0 0 0 0 8 35 1 0 0 0 0 8 37 2 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 17 19 2 0 0 0 0 17 52 1 0 0 0 0 18 20 2 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END $$$$ D00325 -OEChem-05072121492D 45 47 0 0 0 0 0 0 0999 V2000 4.8830 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 M END $$$$ D00326 -OEChem-05072121492D 57 60 0 1 0 0 0 0 0999 V2000 9.1730 -0.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -4.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8370 -3.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 0.7570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 -3.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 1.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 0.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4718 2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -0.7430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 5.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 -2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 -3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 -3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -3.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9730 -3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5427 0.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 0.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 0.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0918 2.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5379 2.8622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 1.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8303 -0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2288 -0.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3069 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 3.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 2.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 4.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 3.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 5.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 5.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 -1.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0597 -4.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5087 -1.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -5.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 57 1 0 0 0 0 3 29 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 24 1 0 0 0 0 5 29 1 0 0 0 0 5 55 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$ D00327 -OEChem-05072121492D 40 42 0 1 0 0 0 0 0999 V2000 7.2101 -2.9212 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 -2.5088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5088 -1.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9974 -3.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0376 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 1.0871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 -3.2530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.8424 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -1.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 2.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 3.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 4.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 2.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -0.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -3.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -3.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 18 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$ D00328 -OEChem-05072121492D 92 96 0 1 0 0 0 0 0999 V2000 7.6138 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 2.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 0.2062 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.9065 -1.2824 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 0.1256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6208 -4.6720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.4124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2171 -0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9280 -1.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.7443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2566 1.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.2824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6783 -0.8249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8600 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.6296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5743 -2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2637 -2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1742 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2506 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7620 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2852 -3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9315 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -4.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 4.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 4.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6423 -4.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1352 0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7641 -0.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5997 0.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8776 -1.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4293 1.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 1.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 -1.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1592 -2.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 0.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 1.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 2.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6922 0.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -0.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -2.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1213 -2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 -1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -2.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 2.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2277 1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0311 2.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7127 -0.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5882 -0.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6356 0.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6647 1.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7121 1.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8366 1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3480 0.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1761 -0.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8711 -2.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5382 -3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6464 3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 2.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3678 -4.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1497 5.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 4.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 5.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4497 -5.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 69 1 0 0 0 0 20 2 1 6 0 0 0 2 81 1 0 0 0 0 3 19 2 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 18 7 1 6 0 0 0 7 24 1 0 0 0 0 7 67 1 0 0 0 0 8 19 1 0 0 0 0 8 27 1 0 0 0 0 8 68 1 0 0 0 0 9 38 1 0 0 0 0 9 45 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 55 1 0 0 0 0 17 16 1 6 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 21 28 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 26 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 26 1 0 0 0 0 23 29 2 0 0 0 0 25 30 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 28 37 1 0 0 0 0 28 38 2 0 0 0 0 29 35 1 0 0 0 0 29 70 1 0 0 0 0 30 39 2 0 0 0 0 30 40 1 0 0 0 0 31 36 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 36 2 0 0 0 0 35 82 1 0 0 0 0 36 83 1 0 0 0 0 37 41 2 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 42 1 0 0 0 0 39 86 1 0 0 0 0 40 43 2 0 0 0 0 40 87 1 0 0 0 0 41 45 1 0 0 0 0 41 88 1 0 0 0 0 42 44 2 0 0 0 0 42 89 1 0 0 0 0 43 44 1 0 0 0 0 43 90 1 0 0 0 0 44 91 1 0 0 0 0 45 92 1 0 0 0 0 M END $$$$ D00329 -OEChem-05072121492D 41 43 0 0 0 0 0 0 0999 V2000 10.6350 -2.9768 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 3.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 -2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 -3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 -3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 -2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 -0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 -1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -1.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 -4.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$ D00330 -OEChem-05072121492D 60 64 0 0 0 0 0 0 0999 V2000 3.2220 -2.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -2.5574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -1.6063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4389 2.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 4.3045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 2.9033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 3.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -3.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -3.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -1.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0698 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -0.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 -0.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2955 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6467 -0.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7022 1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1145 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 3.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5157 2.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3402 4.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 4.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3575 -3.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1011 -3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 -3.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0885 -4.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -4.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5468 -5.3006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 -0.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 -0.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -1.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8935 -1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6216 -1.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 0.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0949 0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -0.2808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 0.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5818 -0.8139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7115 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3189 1.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 2.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 5.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5391 3.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 5.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 31 2 0 0 0 0 5 7 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 60 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$ D00331 -OEChem-05072121492D 30 31 0 0 0 0 0 0 0999 V2000 4.0981 3.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.4139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.4139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 2.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 3.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 4.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 4.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$ D00332 -OEChem-05072121492D 17 17 0 0 0 0 0 0 0999 V2000 2.0000 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ D00333 -OEChem-05072121492D 24 25 0 1 0 0 0 0 0999 V2000 3.9563 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 -0.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -1.7566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 1.7588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -2.9155 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 2.9155 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8106 1.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.9645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1427 1.9650 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9074 -0.4965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9074 0.5035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9563 -0.8055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8536 0.8083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3685 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 1.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3439 -0.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 0.9045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 0.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 -0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 0.4183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 13 3 1 1 0 0 0 4 10 1 0 0 0 0 14 4 1 6 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 1 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M CHG 4 5 -1 7 -1 9 1 10 1 M END $$$$ D00334 -OEChem-05072121492D 22 23 0 1 0 0 0 0 0999 V2000 3.9563 -1.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 0.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1642 -2.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 2.4011 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9074 -0.0180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9074 -1.0180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9563 0.2910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8536 -1.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3685 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4372 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 0.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -1.8680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3439 0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 -1.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -0.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 -0.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 -0.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7709 -2.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 10 3 1 1 0 0 0 11 4 1 6 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 9 11 1 0 0 0 0 9 15 1 6 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$ D00335 -OEChem-05072121492D 50 50 0 0 0 0 0 0 0999 V2000 9.0622 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -1.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 4.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 50 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$ D00336 -OEChem-05072121492D 48 50 0 1 0 0 0 0 0999 V2000 3.7320 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.0053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 15 2 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$ D00337 -OEChem-05072121492D 87 93 0 1 0 0 0 0 0999 V2000 3.4403 -2.1397 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -5.1397 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -1.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6403 1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 2.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4446 2.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 2.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.7796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1509 4.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7689 4.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4599 5.1397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4814 -0.1887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6724 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 3.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 2.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5056 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7993 2.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1998 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9919 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7200 3.8796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1724 -4.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 3.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4631 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4599 5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9279 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4142 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 1.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 3.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 3.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 1.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 1.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 4.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -1.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 0.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -2.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 0.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8793 3.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 2.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4527 2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5856 5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -3.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -3.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2592 3.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 5.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9746 4.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 5.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3215 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0568 2.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5344 3.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2226 3.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0038 4.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6058 4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 43 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 24 1 0 0 0 0 5 31 1 0 0 0 0 6 44 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 41 1 0 0 0 0 10 36 1 0 0 0 0 10 44 1 0 0 0 0 10 47 1 0 0 0 0 11 46 2 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 44 1 0 0 0 0 13 41 2 0 0 0 0 13 46 1 0 0 0 0 14 47 2 0 0 0 0 15 22 1 6 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 6 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 39 1 0 0 0 0 28 40 2 0 0 0 0 28 65 1 0 0 0 0 29 34 1 0 0 0 0 29 66 1 0 0 0 0 30 35 2 0 0 0 0 30 67 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 37 1 0 0 0 0 32 68 1 0 0 0 0 33 38 2 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 43 2 0 0 0 0 39 74 1 0 0 0 0 40 43 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 42 45 1 0 0 0 0 42 48 1 0 0 0 0 42 77 1 0 0 0 0 45 49 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 46 80 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 49 85 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 M END $$$$ D00338 -OEChem-05072121492D 70 73 0 1 0 0 0 0 0999 V2000 2.2568 -1.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7705 -3.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1800 3.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2243 0.9360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2243 2.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3696 0.2281 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3696 1.9602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8696 -0.6379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1285 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3696 0.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9308 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8696 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -2.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 -2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3696 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8696 -0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8035 1.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8035 2.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5602 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 3.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5602 2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 2.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3602 1.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3602 2.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 -3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2205 -0.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2205 3.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4842 -0.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2861 -2.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 -1.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4772 0.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 0.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7716 -0.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 1.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6037 -3.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 0.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 2.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 2.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3326 -0.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1796 -1.1749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4065 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1990 0.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8035 0.4392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5094 0.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2631 0.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2631 3.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5094 3.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4470 0.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4470 3.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5992 0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -0.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 -4.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -4.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 -3.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 -0.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2181 -0.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8405 -0.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8405 3.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2181 4.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6005 3.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 31 1 0 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 3 23 2 0 0 0 0 4 29 1 0 0 0 0 4 33 1 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 1 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 M END $$$$ D00339 -OEChem-05072121492D 57 59 0 0 0 0 0 0 0999 V2000 8.9962 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2282 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6162 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9962 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3762 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9042 1.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2842 2.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6913 0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5382 0.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7651 0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7651 2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9182 2.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 51 1 0 0 0 0 2 20 2 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 4 50 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 5 53 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 30 1 0 0 0 0 11 19 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$ D00340 -OEChem-05072121492D 136142 0 1 0 0 0 0 0999 V2000 14.5590 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7656 -1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 1.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8710 5.5421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9247 5.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2291 5.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0395 1.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6895 -1.3502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3523 -2.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2762 -2.5678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6134 -0.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 -0.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4067 -1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0267 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9723 -1.1242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1028 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2218 -3.9419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9683 4.0196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3510 3.0957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5896 4.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0696 -3.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0484 -1.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0152 -4.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6234 4.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9769 4.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2979 -4.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7422 2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3815 2.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0220 3.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9605 5.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2550 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8846 -5.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 3.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1245 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0129 3.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 1.6936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3767 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 1.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 2.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.2021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9905 0.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2768 2.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 2.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 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0 0 0 0 0 0 0 0 16.6065 -4.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3014 -4.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3828 5.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0607 -3.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7251 -4.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5352 -4.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6121 2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7889 5.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 5.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7181 -1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2699 -5.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8037 -6.1568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -5.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3818 5.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 2.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 0.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9296 3.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6273 3.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0962 4.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8441 5.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1197 2.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 3.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 1.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3005 0.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 0.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6805 1.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 2.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 2.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0395 1.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 3.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 2.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 1.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -0.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 34 1 0 0 0 0 4 27 1 0 0 0 0 4 37 1 0 0 0 0 25 5 1 1 0 0 0 5 96 1 0 0 0 0 31 6 1 6 0 0 0 6102 1 0 0 0 0 7 34 2 0 0 0 0 42 8 1 1 0 0 0 46 8 1 1 0 0 0 9 46 1 0 0 0 0 9 51 1 0 0 0 0 47 10 1 1 0 0 0 54 10 1 1 0 0 0 48 11 1 6 0 0 0 11 61 1 0 0 0 0 12 54 1 0 0 0 0 12 59 1 0 0 0 0 56 13 1 6 0 0 0 13 62 1 0 0 0 0 57 14 1 1 0 0 0 14133 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 63 1 6 0 0 0 17 20 1 0 0 0 0 17 28 1 6 0 0 0 17 64 1 0 0 0 0 18 20 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 21 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 23 1 0 0 0 0 21 71 1 1 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 22 72 1 1 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 30 1 0 0 0 0 24 33 1 6 0 0 0 24 75 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 26 76 1 6 0 0 0 27 31 1 0 0 0 0 27 77 1 1 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 38 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 30 39 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 31 36 1 0 0 0 0 31 85 1 0 0 0 0 32 37 1 0 0 0 0 32 40 2 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 35 36 2 0 0 0 0 35 89 1 0 0 0 0 36 43 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 41 2 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 45 1 0 0 0 0 40 97 1 0 0 0 0 41 42 1 0 0 0 0 41 52 1 0 0 0 0 42 44 1 0 0 0 0 42 98 1 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44 50 1 0 0 0 0 44 53 1 1 0 0 0 44103 1 0 0 0 0 45 50 2 0 0 0 0 45104 1 0 0 0 0 46 49 1 0 0 0 0 46105 1 0 0 0 0 47 48 1 0 0 0 0 47 51 1 0 0 0 0 47106 1 0 0 0 0 48 49 1 0 0 0 0 48107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 51 58 1 6 0 0 0 51111 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 52114 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 54 55 1 0 0 0 0 54118 1 0 0 0 0 55 56 1 0 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 56 57 1 0 0 0 0 56121 1 0 0 0 0 57 59 1 0 0 0 0 57122 1 0 0 0 0 58123 1 0 0 0 0 58124 1 0 0 0 0 58125 1 0 0 0 0 59 60 1 6 0 0 0 59126 1 0 0 0 0 60127 1 0 0 0 0 60128 1 0 0 0 0 60129 1 0 0 0 0 61130 1 0 0 0 0 61131 1 0 0 0 0 61132 1 0 0 0 0 62134 1 0 0 0 0 62135 1 0 0 0 0 62136 1 0 0 0 0 M END $$$$ D00341 -OEChem-05072121492D 42 42 0 1 0 0 0 0 0999 V2000 2.0000 -2.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 23 1 0 0 0 0 3 38 1 0 0 0 0 4 23 1 0 0 0 0 4 39 1 0 0 0 0 5 14 2 0 0 0 0 6 16 2 0 0 0 0 11 7 1 6 0 0 0 7 14 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$ D00342 -OEChem-05072121492D 64 68 0 1 0 0 0 0 0999 V2000 3.4403 -1.6897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -4.6897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -0.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6403 1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 3.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4446 2.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 3.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -0.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4814 0.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6724 0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 2.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 3.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 1.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7993 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5056 4.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -1.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -0.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 0.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 4.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 3.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 1.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 4.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 4.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 1.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 2.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -1.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 1.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8793 3.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 0.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 3.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -3.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -3.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1121 4.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6345 5.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 4.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 34 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 25 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 29 2 0 0 0 0 10 35 1 0 0 0 0 11 14 1 6 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 6 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 33 2 0 0 0 0 23 52 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 36 1 0 0 0 0 26 30 1 0 0 0 0 26 53 1 0 0 0 0 27 31 2 0 0 0 0 27 54 1 0 0 0 0 28 35 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END $$$$ D00343 -OEChem-05072121492D 33 34 0 1 0 0 0 0 0999 V2000 2.0000 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ D00344 -OEChem-05072121492D 32 34 0 1 0 0 0 0 0999 V2000 8.4299 2.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 2.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -2.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -0.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 1.0928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7244 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4514 2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -1.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 1.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 -0.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8897 -1.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6781 -0.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 2.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -0.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 -3.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -0.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 -3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ D00345 -OEChem-05072121492D 48 49 0 1 0 0 0 0 0999 V2000 6.8671 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 41 1 0 0 0 0 2 20 1 0 0 0 0 2 46 1 0 0 0 0 3 24 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 28 1 0 0 0 0 5 24 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 19 2 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END $$$$ D00346 -OEChem-05072121492D 36 36 0 1 0 0 0 0 0999 V2000 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 8 2 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 6 5 1 6 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END $$$$ D00347 -OEChem-05072121492D 26 27 0 1 0 0 0 0 0999 V2000 2.3660 -1.8123 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 -3.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0570 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9538 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 13 2 0 0 0 0 8 5 1 1 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 1 0 0 0 0 6 15 2 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 1 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 M END $$$$ D00348 -OEChem-05072121492D 23 24 0 0 0 0 0 0 0999 V2000 6.0010 1.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 12 1 0 0 0 0 4 16 2 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 M END $$$$ D00349 -OEChem-05072121492D 39 41 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.7619 -2.8621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -1.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3959 -2.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$ D00350 -OEChem-05072121492D 14 9 0 0 0 0 0 0 0999 V2000 3.7071 2.0096 0.0000 La 0 1 0 0 0 0 0 0 0 0 0 0 4.6037 -1.3365 0.0000 La 0 1 0 0 0 0 0 0 0 0 0 0 3.7071 3.0096 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7071 2.0096 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4142 1.3024 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8625 -0.3706 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3108 -2.0436 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6378 -1.5953 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 0.0777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7591 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1554 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 M CHG 8 1 3 2 3 3 -1 4 -1 5 -1 6 -1 7 -1 8 -1 M END $$$$ D00351 -OEChem-05072121492D 66 70 0 0 0 0 0 0 0999 V2000 12.3832 -2.2696 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -2.3673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6957 -3.8195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -2.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1267 -1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7215 -0.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6859 0.7503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 3.8195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6036 2.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3148 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0715 2.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2055 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 2.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 1.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6228 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 2.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 3.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0715 3.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 1.7502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -3.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 3.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5461 0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6036 3.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 -0.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4179 0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2665 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2781 0.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9984 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8586 -1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8470 -2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7304 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7072 -2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5905 -1.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5790 -2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -1.9677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 -1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3635 -0.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 -1.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6728 -0.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 -0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 0.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0062 1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 2.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 3.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9404 -3.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -3.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0732 -3.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 4.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1454 0.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9941 -1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 1.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1393 3.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8185 0.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4024 -0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6054 -0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3066 -2.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7375 -0.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1310 -1.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1123 -2.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 2 25 1 0 0 0 0 3 38 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 7 31 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 47 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 56 1 0 0 0 0 10 22 1 0 0 0 0 10 28 2 0 0 0 0 11 24 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 17 21 2 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 59 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 63 1 0 0 0 0 37 39 2 0 0 0 0 37 64 1 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 M END $$$$ D00352 -OEChem-05072121492D 28 29 0 0 0 0 0 0 0999 V2000 4.6261 4.0194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 3.0194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6261 3.0194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -4.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.9806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -4.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 0.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0291 1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 1.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1588 -2.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -2.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -2.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -3.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 18 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 16 19 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$ D00353 -OEChem-05072121492D 32 34 0 1 0 0 0 0 0999 V2000 4.9889 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.5887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.2774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 0.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 1.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -1.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 1.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 27 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$ D00354 -OEChem-05072121492D 38 41 0 0 0 0 0 0 0999 V2000 8.5472 -1.9424 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -1.9424 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -2.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -1.3243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -1.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 -3.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 -3.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 3.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6531 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 0.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6531 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 -0.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4531 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4531 -0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -2.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -2.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3860 2.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8697 2.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3947 3.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1794 3.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3841 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 1.9910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5399 -1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 1.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 -0.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -3.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -2.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 38 1 0 0 0 0 4 24 2 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 21 2 0 0 0 0 7 22 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ D00355 -OEChem-05072121502D 69 73 0 1 0 0 0 0 0999 V2000 2.9176 1.9396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.0950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 -1.4610 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 0.2710 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 -2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7703 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1503 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 25 1 0 0 0 0 5 40 1 0 0 0 0 6 28 1 0 0 0 0 6 63 1 0 0 0 0 7 28 2 0 0 0 0 8 36 1 0 0 0 0 8 41 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 15 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 28 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 26 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 2 0 0 0 0 24 53 1 0 0 0 0 25 34 1 0 0 0 0 26 32 2 0 0 0 0 27 33 2 0 0 0 0 27 54 1 0 0 0 0 29 36 1 0 0 0 0 29 55 1 0 0 0 0 30 37 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 39 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 36 38 2 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 M END $$$$ D00356 -OEChem-05072121502D 33 35 0 0 0 0 0 0 0999 V2000 3.5827 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 3.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 20 2 0 0 0 0 3 13 2 0 0 0 0 3 20 1 0 0 0 0 4 21 3 0 0 0 0 5 22 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 16 2 0 0 0 0 11 26 1 0 0 0 0 12 17 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$ D00357 -OEChem-05072121502D 57 59 0 1 0 0 0 0 0999 V2000 13.8116 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 3.2726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 1.7171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 3.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 3.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 2.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2650 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5910 3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 2.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 31 2 0 0 0 0 4 33 1 0 0 0 0 4 56 1 0 0 0 0 5 33 2 0 0 0 0 6 34 1 0 0 0 0 6 57 1 0 0 0 0 7 34 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 40 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 41 1 0 0 0 0 11 19 1 0 0 0 0 11 23 2 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 12 43 1 0 0 0 0 24 13 1 1 0 0 0 13 31 1 0 0 0 0 13 51 1 0 0 0 0 14 23 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 33 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 32 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D00358 -OEChem-05072121502D 26 26 0 1 0 0 0 0 0999 V2000 5.4921 0.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2320 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -1.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -1.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ D00359 -OEChem-05072121502D 26 25 0 1 0 0 0 0 0999 V2000 4.5981 -0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7220 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2220 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -0.9540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ D00360 -OEChem-05072121502D 52 54 0 1 0 0 0 0 0999 V2000 2.0000 -5.0600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 52 1 0 0 0 0 4 27 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 11 5 1 6 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$ D00361 -OEChem-05072121502D 46 49 0 1 0 0 0 0 0999 V2000 6.3301 2.6342 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -2.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8008 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -1.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -1.9351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -2.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 -1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 -2.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -1.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2431 -2.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5074 -3.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 46 1 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 1 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ D00362 -OEChem-05072121502D 40 41 0 1 0 0 0 0 0999 V2000 4.5981 1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9641 0.8730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4641 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 -0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 0.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 2.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 5 6 1 0 0 0 0 5 7 1 6 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D00363 -OEChem-05072121502D 51 54 0 1 0 0 0 0 0999 V2000 8.0319 1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0037 1.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 2.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8371 2.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 2.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2171 1.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 47 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 6 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 33 1 1 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 2 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 3 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 51 1 0 0 0 0 M END $$$$ D00364 -OEChem-05072121502D 42 45 0 1 0 0 0 0 0999 V2000 2.5381 -0.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 1.0410 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0682 -0.4499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 0.0501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9343 1.0501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8652 -0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 -1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8443 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9502 -2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8523 -1.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7203 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6704 0.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3593 1.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 0.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4431 -1.3759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8342 -2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 -0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0488 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4668 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6697 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 1.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1751 0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5493 -2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 -2.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0659 -2.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4623 -1.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 1.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8492 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1138 2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 2.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 42 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 1 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 20 1 1 0 0 0 5 10 1 0 0 0 0 5 21 1 1 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 M END $$$$ D00365 -OEChem-05072121502D 35 35 0 1 0 0 0 0 0999 V2000 6.0010 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 8 19 2 0 0 0 0 9 25 1 0 0 0 0 9 35 1 0 0 0 0 12 10 1 1 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 19 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 2 5 1 7 -1 M END $$$$ D00366 -OEChem-05072121502D 180185 0 1 0 0 0 0 0999 V2000 18.4156 -7.0622 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7375 -1.7641 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.0795 -7.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 -3.3007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4156 1.6075 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1086 2.5592 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5721 1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7925 4.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7333 -3.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7236 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0584 4.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3671 -2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0025 1.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2680 2.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3226 -1.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3586 5.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 -4.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 -7.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1989 -8.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6343 -6.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 6.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0597 -7.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7423 4.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9119 6.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 4.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0312 8.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7209 2.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9879 3.8174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7959 -1.6562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 2.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9889 -3.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0228 0.7810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7920 2.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0469 -1.0124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6769 -3.5821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -5.5219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -7.1266 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4341 -9.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3678 -9.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 4.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9947 -2.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2737 -0.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1624 6.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0525 6.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 7.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 7.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 -7.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -1.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 6.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1718 8.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 7.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 9.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 5.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 9.6043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 57 1 0 0 0 0 2 4 1 0 0 0 0 2 60 1 0 0 0 0 3 71 1 0 0 0 0 4 73 1 0 0 0 0 5 6 1 0 0 0 0 5 63 1 0 0 0 0 6 84 1 0 0 0 0 7 47 2 0 0 0 0 8 48 2 0 0 0 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6.0234 0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 0.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -3.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.0469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4543 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 2.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -4.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -4.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 4.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 2.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 1.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 0.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -3.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -3.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 2.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -5.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -4.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -4.8843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -5.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -0.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 3.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 5.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 6.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 5.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 18 2 0 0 0 0 5 23 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 14 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ D00368 -OEChem-05072121502D 35 36 0 1 0 0 0 0 0999 V2000 6.0010 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 6 17 2 0 0 0 0 7 23 1 0 0 0 0 7 35 1 0 0 0 0 10 8 1 1 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$ D00369 -OEChem-05072121502D 44 44 0 1 0 0 0 0 0999 V2000 6.0010 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 7 2 1 1 0 0 0 2 11 1 0 0 0 0 2 30 1 0 0 0 0 6 3 1 6 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 M END $$$$ D00370 -OEChem-05072121502D 60 61 0 1 0 0 0 0 0999 V2000 6.8671 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5043 3.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 1.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 3.0278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5010 3.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 2.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 4.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6256 3.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 2.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 4.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 3.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 1 0 0 0 0 2 52 1 0 0 0 0 3 18 2 0 0 0 0 4 22 1 0 0 0 0 4 57 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 13 7 1 1 0 0 0 16 7 1 1 0 0 0 7 40 1 0 0 0 0 8 23 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 1 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 M END $$$$ D00371 -OEChem-05072121502D 6 3 0 0 0 0 0 0 0999 V2000 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 4 1 -1 2 -1 5 1 6 1 M END $$$$ D00372 -OEChem-05072121502D 31 31 0 0 0 0 0 0 0999 V2000 5.4641 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 13 2 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ D00373 -OEChem-05072121502D 67 70 0 0 0 0 0 0 0999 V2000 7.8660 5.4820 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.0179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 -2.8241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -4.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7057 -2.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 -3.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -5.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 2.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 1.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3426 1.4103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 2.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -0.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 -0.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3426 0.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 -1.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 -0.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -0.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 -1.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 2.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 2.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 5.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4860 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -5.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -5.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1043 -2.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 -1.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 -1.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5028 -3.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2211 -4.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7240 -3.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -6.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 6 1 0 0 0 0 2 47 1 0 0 0 0 3 17 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 17 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 22 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 18 24 1 0 0 0 0 18 48 1 0 0 0 0 19 25 2 0 0 0 0 19 49 1 0 0 0 0 20 27 1 0 0 0 0 20 50 1 0 0 0 0 21 28 1 0 0 0 0 21 51 1 0 0 0 0 22 29 2 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 27 33 2 0 0 0 0 27 56 1 0 0 0 0 28 34 2 0 0 0 0 28 57 1 0 0 0 0 29 33 1 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 M END $$$$ D00374 -OEChem-05072121502D 50 53 0 0 0 0 0 0 0999 V2000 2.0000 3.2317 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -2.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -2.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 1.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 1.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 2.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5694 -4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 4.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 4.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 4.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 4.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 4.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 4.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 1.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 3.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0928 -3.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4914 -4.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -4.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1064 -4.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8794 -3.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 19 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 13 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 24 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$ D00375 -OEChem-05072121502D 31 33 0 1 0 0 0 0 0999 V2000 8.1647 -0.1360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 0.5528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -2.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3946 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7119 2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 13 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 14 16 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$ D00376 -OEChem-05072121502D 27 28 0 1 0 0 0 0 0999 V2000 7.4747 0.5367 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 0.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8106 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 0.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 -1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -1.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 0.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6106 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 1.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 0.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 -2.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 -1.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 -1.5264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 1.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3893 2.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6469 1.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -2.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1464 -1.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 6 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$ D00377 -OEChem-05072121502D 65 67 0 1 0 0 0 0 0999 V2000 3.7320 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 -1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -2.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 -3.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4920 1.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3981 2.0340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -2.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1777 -2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 2.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 2.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -0.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 -0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -3.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -3.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -3.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 22 3 1 6 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 30 1 6 0 0 0 7 9 1 0 0 0 0 7 11 1 6 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 6 0 0 0 9 33 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 19 15 1 1 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 25 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END $$$$ D00378 -OEChem-05072121502D 120118 0 0 0 0 0 0 0999 V2000 2.2690 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 16.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 15.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 15.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 13.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 13.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 10.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 10.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 17.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 17.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4216 15.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 14.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 17.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 16.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 13.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4216 13.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 15.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 12.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 12.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5691 11.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 13.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 13.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 11.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 11.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 12.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 13.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 12.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4374 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2345 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 10.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 10.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 17.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 17.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 16.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 10 2 0 0 0 0 3 32 1 0 0 0 0 3 43 1 0 0 0 0 4 32 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 8 1 0 0 0 0 6 53 1 0 0 0 0 6 54 1 0 0 0 0 7 10 1 0 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 8 9 2 0 0 0 0 8 57 1 0 0 0 0 9 11 1 0 0 0 0 9 58 1 0 0 0 0 11 12 1 0 0 0 0 11 59 1 0 0 0 0 11 60 1 0 0 0 0 12 13 2 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 13 62 1 0 0 0 0 14 18 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 24 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 32 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 23 2 0 0 0 0 18 71 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 22 2 0 0 0 0 20 74 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 22 75 1 0 0 0 0 23 78 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 24 83 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 79 1 0 0 0 0 25 80 1 0 0 0 0 26 27 2 0 0 0 0 26 84 1 0 0 0 0 27 85 1 0 0 0 0 28 31 1 0 0 0 0 28 34 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 31 2 0 0 0 0 29 88 1 0 0 0 0 30 36 2 0 0 0 0 30 89 1 0 0 0 0 31 90 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 37 2 0 0 0 0 34 93 1 0 0 0 0 35 36 1 0 0 0 0 35 41 1 0 0 0 0 35 94 1 0 0 0 0 35 95 1 0 0 0 0 36 96 1 0 0 0 0 37 97 1 0 0 0 0 38 40 2 0 0 0 0 38 98 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 40101 1 0 0 0 0 41 44 2 0 0 0 0 41102 1 0 0 0 0 42 47 2 0 0 0 0 42103 1 0 0 0 0 43 48 1 0 0 0 0 43104 1 0 0 0 0 43105 1 0 0 0 0 44 45 1 0 0 0 0 44106 1 0 0 0 0 45 49 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46 47 1 0 0 0 0 46 50 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 47111 1 0 0 0 0 48112 1 0 0 0 0 48113 1 0 0 0 0 48114 1 0 0 0 0 49115 1 0 0 0 0 49116 1 0 0 0 0 49117 1 0 0 0 0 50118 1 0 0 0 0 50119 1 0 0 0 0 50120 1 0 0 0 0 M END $$$$ D00379 -OEChem-05072121502D 41 44 0 0 0 0 0 0 0999 V2000 2.0000 -1.4271 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 2.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 -0.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9681 -0.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9107 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0286 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 0.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6298 2.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 2.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 3.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 2.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 -0.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3460 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3122 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ D00380 -OEChem-05072121502D 59 60 0 1 0 0 0 0 0999 V2000 5.0000 -1.5688 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6581 -3.5086 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -3.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8264 -3.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -2.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8349 3.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1886 3.9009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -1.5688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7320 -2.5688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6783 -1.2641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8660 -1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.5688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 -1.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9889 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9674 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2781 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5458 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8564 3.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -0.7236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -3.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2408 -0.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 -0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4675 -0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4272 -3.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2156 -3.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -0.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 -1.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 0.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3751 -0.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9880 -0.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5813 -0.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -2.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -3.1794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3014 -3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2575 1.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6643 0.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 -1.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -1.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2772 0.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8704 0.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -2.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5467 2.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9535 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5663 1.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 2.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0276 3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 13 4 1 6 0 0 0 4 43 1 0 0 0 0 5 15 2 0 0 0 0 6 27 1 0 0 0 0 6 59 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 1 0 0 0 9 12 1 0 0 0 0 9 29 1 6 0 0 0 10 15 1 0 0 0 0 10 16 1 1 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END $$$$ D00381 -OEChem-05072121502D 71 77 0 1 0 0 0 0 0999 V2000 3.4128 -2.9906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1140 -1.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 2.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2572 0.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4984 -0.9714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6190 -1.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -2.9533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2384 1.0420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4973 2.0080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8657 0.4500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5237 1.3897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7606 2.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6374 0.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8962 1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0808 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5303 1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3175 0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5514 0.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6117 0.3554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7251 1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9590 2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 1.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3247 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7323 -0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 -0.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -1.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 -2.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -1.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0184 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7173 2.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 -0.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2330 2.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0785 3.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1475 3.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4425 -0.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2313 0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4902 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0911 2.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8425 -0.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6275 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4438 0.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0291 0.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3077 1.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0351 2.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 1.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5357 0.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 2.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6490 2.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5457 -1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0581 -0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9117 2.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3993 1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 -2.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9447 -1.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4223 0.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9101 -2.6968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 -2.8352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -0.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 -0.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -0.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 0.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 -0.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 31 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 29 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 36 1 1 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 37 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 6 0 0 0 11 16 1 0 0 0 0 11 39 1 6 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 18 17 1 1 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 6 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 68 1 0 0 0 0 33 35 1 0 0 0 0 33 69 1 0 0 0 0 34 35 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 M END $$$$ D00382 -OEChem-05072121502D 52 54 0 0 0 0 0 0 0999 V2000 8.0622 3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 32 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 10 16 1 0 0 0 0 10 26 2 0 0 0 0 11 19 2 0 0 0 0 11 26 1 0 0 0 0 12 29 1 0 0 0 0 12 30 2 0 0 0 0 13 29 2 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 M END $$$$ D00383 -OEChem-05072121502D 44 47 0 0 0 0 0 0 0999 V2000 6.3099 -2.3474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 1.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4355 2.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 3.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8122 0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1545 0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0711 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -0.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0729 1.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 -1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5455 0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8151 1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 -3.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1278 2.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 3.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 2.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 3.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0383 3.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5926 0.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 -0.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4235 -0.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2172 -0.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -0.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2264 2.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4704 2.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0409 -1.3782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2472 -2.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9822 -0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -0.7050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4134 1.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 0.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 -2.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -3.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8906 -3.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 -3.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 1 41 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 19 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$ D00384 -OEChem-05072121502D 78 82 0 1 0 0 0 0 0999 V2000 10.1640 2.5392 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 3.5392 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 3.9052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -0.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -3.0220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4270 -3.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 2.1732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -4.0181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 -2.3735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5614 -1.4075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8703 -2.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 -3.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 -1.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 0.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -2.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 2.1732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0856 -3.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 -1.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 -4.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5568 -0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 -0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 2.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7980 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 2.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2980 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 3.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 4.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 4.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0402 -3.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3414 -0.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9458 -3.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 -3.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6246 -3.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 -1.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 -1.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 -3.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8273 -3.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5685 -2.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9675 -1.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 0.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 0.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 1.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 1.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 -1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 1.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -5.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0882 -5.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9814 -4.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 3.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2658 -0.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1043 -0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 -1.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4973 -1.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -0.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1544 -0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 1.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2154 4.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9057 4.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 1.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 4.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 4.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 2.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 3.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 3.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 5.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 5.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 25 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 18 2 0 0 0 0 19 7 1 1 0 0 0 7 25 1 0 0 0 0 7 55 1 0 0 0 0 8 20 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 38 1 1 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 39 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 21 54 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 33 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 32 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 33 35 1 0 0 0 0 33 74 1 0 0 0 0 34 36 2 0 0 0 0 34 75 1 0 0 0 0 35 37 2 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 M END $$$$ D00385 -OEChem-05072121502D 35 37 0 0 0 0 0 0 0999 V2000 4.5981 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 1.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1890 -2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0360 -2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2629 -1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$ D00386 -OEChem-05072121502D 33 34 0 1 0 0 0 0 0999 V2000 2.5314 -1.0128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 0.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -0.5280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0376 1.0300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7788 0.0641 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3010 2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1777 -0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 0.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0236 0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7968 -0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 2.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6878 2.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0305 0.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6315 1.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 -1.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -0.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 0.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 0.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 0.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 -0.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -1.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 -2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 -1.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -2.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -2.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1339 -2.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 M END $$$$ D00387 -OEChem-05072121502D 55 58 0 1 0 0 0 0 0999 V2000 2.0000 -4.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 7 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 37 1 0 0 0 0 9 12 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 40 1 0 0 0 0 14 20 2 0 0 0 0 14 41 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 16 22 2 0 0 0 0 16 43 1 0 0 0 0 17 23 2 0 0 0 0 17 44 1 0 0 0 0 18 26 1 0 0 0 0 18 45 1 0 0 0 0 19 24 2 0 0 0 0 19 46 1 0 0 0 0 20 24 1 0 0 0 0 20 47 1 0 0 0 0 21 25 2 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$ D00388 -OEChem-05072121502D 30 31 0 0 0 0 0 0 0999 V2000 2.0000 -1.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 3 30 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 10 15 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$ D00389 -OEChem-05072121502D 62 65 0 1 0 0 0 0 0999 V2000 8.0319 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.9245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -3.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -4.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -3.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 -0.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4226 0.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 3.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 3.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 3.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 27 1 0 0 0 0 2 21 2 0 0 0 0 3 25 2 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 18 1 1 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 29 1 6 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 6 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 1 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 6 0 0 0 16 42 1 0 0 0 0 17 23 2 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END $$$$ D00390 -OEChem-05072121502D 33 34 0 0 0 0 0 0 0999 V2000 3.7320 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 33 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 M END $$$$ D00391 -OEChem-05072121502D 42 44 0 1 0 0 0 0 0999 V2000 5.9804 -2.3488 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 -1.9827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 -0.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -3.5173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9999 -2.5058 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 2.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 3.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 -1.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 2.0173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4804 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 1.5173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3464 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 0.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 -1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 -1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4804 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2114 1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 2.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5585 3.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 3.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 3.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0819 3.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 0.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 0.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5466 -1.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$ D00392 -OEChem-05072121502D 60 63 0 1 0 0 0 0 0999 V2000 8.0319 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.9245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0836 -2.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2839 -0.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4226 0.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -3.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -4.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -3.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 3.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 3.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 3.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 27 1 0 0 0 0 2 19 2 0 0 0 0 3 25 2 0 0 0 0 4 27 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 1 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 6 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 30 1 1 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 1 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 23 2 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 M END $$$$ D00393 -OEChem-05072121502D 36 38 0 1 0 0 0 0 0999 V2000 4.6660 -2.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3686 2.1195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -3.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -3.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.8750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 0.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1777 0.7183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 2.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7535 3.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 -2.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 0.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 0.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 1.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3199 2.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0057 3.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1871 3.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 31 1 0 0 0 0 9 20 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$ D00394 -OEChem-05072121502D 37 37 0 1 0 0 0 0 0999 V2000 6.0010 4.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 2.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 37 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 12 6 1 1 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 19 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END $$$$ D00395 -OEChem-05072121502D 34 36 0 1 0 0 0 0 0999 V2000 3.6730 1.5251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.9232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8368 -0.9232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6730 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 -1.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -2.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 -2.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6913 -0.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 1.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ D00396 -OEChem-05072121502D 51 53 0 1 0 0 0 0 0999 V2000 5.4641 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6160 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1160 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 3.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1592 -3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 -4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 -3.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 -3.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 -4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 0.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 44 1 0 0 0 0 19 23 2 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 M CHG 1 4 1 M END $$$$ D00397 -OEChem-05072121502D 39 40 0 0 0 0 0 0 0999 V2000 3.5000 1.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 2.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -0.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 0.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 1.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4718 1.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2981 2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 -0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 0.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 0.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 -0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 -1.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4766 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5234 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 -1.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 0.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 2.2045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 3.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 2.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 2.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 2.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ D00398 -OEChem-05072121502D 33 32 0 0 0 0 0 0 0999 V2000 7.7331 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 0.7155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -1.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 0.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 1.5815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 2.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 14 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 15 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END $$$$ D00399 -OEChem-05072121502D 14 15 0 0 0 0 0 0 0999 V2000 2.8660 1.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 1.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ D00400 -OEChem-05252109482D 45 46 0 1 0 0 0 0 0999 V2000 5.0000 -2.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 1.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 1.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.8049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 2.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 3.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 17 1 0 0 0 0 11 30 1 0 0 0 0 12 18 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 M END $$$$ D00401 -OEChem-05072121512D 18 18 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ D00402 -OEChem-05072121512D 13 11 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$ D00403 -OEChem-05072121512D 32 32 0 1 0 0 0 0 0999 V2000 2.8660 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 15 30 1 0 0 0 0 M END $$$$ D00404 -OEChem-05072121512D 31 32 0 1 0 0 0 0 0999 V2000 5.4071 1.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7891 1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 0.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 1.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 1.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 3.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$ D00405 -OEChem-05072121512D 20 19 0 0 0 0 0 0 0999 V2000 6.0010 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 8 2 0 0 0 0 3 16 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ D00406 -OEChem-05072121512D 50 51 0 1 0 0 0 0 0999 V2000 7.1454 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -0.3008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.3420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6454 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -1.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5115 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7794 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 0.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 1.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4244 1.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 1.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 0.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 -1.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -1.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7239 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 -1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7654 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 -0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 17 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 18 1 0 0 0 0 11 32 1 0 0 0 0 12 19 1 0 0 0 0 12 33 1 0 0 0 0 13 20 2 0 0 0 0 13 34 1 0 0 0 0 14 21 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 2 0 0 0 0 18 45 1 0 0 0 0 19 23 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 M END $$$$ D00408 -OEChem-05072121512D 22 22 0 0 0 0 0 0 0999 V2000 3.2044 0.9862 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 0.1772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 0.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 0.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -1.3616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.7739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 1.7952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 -1.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 0.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1012 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7954 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7464 -0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 -2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 -2.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9122 -2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -1.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3361 -0.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -0.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$ D00409 -OEChem-05072121512D 22 24 0 0 0 0 0 0 0999 V2000 2.8368 -0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.1801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.7033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 1.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 0.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -0.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 0.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 1.2799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -1.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 0.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ D00410 -OEChem-05072121512D 13 13 0 0 0 0 0 0 0999 V2000 4.5691 -0.2414 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.0186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 1.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 1.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ D00411 -OEChem-05072121512D 32 32 0 1 0 0 0 0 0999 V2000 4.5981 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$ D00412 -OEChem-05072121512D 55 57 0 1 0 0 0 0 0999 V2000 15.5875 -0.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 -1.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 -3.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 -3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.7496 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.9914 0.2329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.3117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -0.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8516 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 2.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 -2.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 0.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 -1.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 -1.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -1.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 0.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2909 2.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6733 3.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 2.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 0.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 50 1 0 0 0 0 2 20 2 0 0 0 0 3 23 2 0 0 0 0 4 28 1 0 0 0 0 4 51 1 0 0 0 0 5 28 2 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 27 1 0 0 0 0 14 7 1 6 0 0 0 7 20 1 0 0 0 0 7 39 1 0 0 0 0 8 26 1 0 0 0 0 8 30 2 0 0 0 0 9 29 1 0 0 0 0 9 31 2 0 0 0 0 10 31 1 0 0 0 0 10 33 2 0 0 0 0 11 32 2 0 0 0 0 11 33 1 0 0 0 0 12 32 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 33 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 28 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 26 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 M END $$$$ D00413 -OEChem-05072121512D 24 26 0 0 0 0 0 0 0999 V2000 7.3424 0.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5350 -2.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 -0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7062 1.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 2.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 15 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$ D00414 -OEChem-05072121512D 48 50 0 1 0 0 0 0 0999 V2000 4.7264 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 10.0248 4.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 4.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 5.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7543 3.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 6.6079 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6668 4.6594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4080 5.6253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0395 4.0674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3815 5.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3951 3.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 5.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 4.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 7.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0581 7.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 4.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 4.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7202 3.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 5.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 5.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5307 6.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 5.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 7.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 6.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8868 3.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 6.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8274 3.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5936 5.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7797 3.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 5.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 6.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4891 3.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 7.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9753 8.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6567 7.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 7.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6245 7.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3103 6.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 4.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 3.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7742 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1455 4.5329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 6.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 2.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 7.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 7.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 1 0 0 0 10 2 1 1 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 16 2 0 0 0 0 5 18 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 1 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 6 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$ D00415 -OEChem-05072121512D 28 29 0 1 0 0 0 0 0999 V2000 4.5388 -0.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 2.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.2306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6420 1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4511 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 1.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 1.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 0.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.5112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 -0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 0.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 1.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0195 2.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5481 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 M END $$$$ D00416 -OEChem-05072121512D 31 32 0 1 0 0 0 0 0999 V2000 8.6644 2.0737 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.0979 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 -0.9263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.9504 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 -1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -0.4263 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9323 1.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 0.5737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0663 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 1.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 0.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 1.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2013 -1.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 -0.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -2.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ D00417 -OEChem-05072121512D 28 28 0 1 0 0 0 0 0999 V2000 6.0010 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 2.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 6 5 1 1 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ D00418 -OEChem-05072121512D 50 53 0 1 0 0 0 0 0999 V2000 3.7398 0.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 3.8086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2719 0.3117 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2599 -3.8785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 -0.7298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3898 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1219 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 0.3186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3739 0.8394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1219 -2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 -2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 -2.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 -0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2719 -3.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7398 -3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 -2.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 -4.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -3.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8680 1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 3.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 -0.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7324 -1.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3339 -0.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4706 0.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 1.3123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -1.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6841 1.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8399 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3576 -2.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -2.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5459 -4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3762 -4.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 2.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 -4.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 2.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 1.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 3.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 3.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 2.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 1.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 4.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 24 1 0 0 0 0 2 50 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 17 1 0 0 0 0 22 5 1 1 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 1 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 1 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 M END $$$$ D00419 -OEChem-05072121512D 36 37 0 1 0 0 0 0 0999 V2000 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END $$$$ D00420 -OEChem-05072121512D 57 60 0 1 0 0 0 0 0999 V2000 8.0319 2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 2.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 0.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 1.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -1.9775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 1.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 2.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 2.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 2.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -2.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -3.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 1.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 1.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 48 1 0 0 0 0 12 2 1 1 0 0 0 2 49 1 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 1 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 6 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 47 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 M END $$$$ D00421 -OEChem-05072121512D 52 55 0 1 0 0 0 0 0999 V2000 9.1493 1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 1.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 2.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 49 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 6 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 M END $$$$ D00422 -OEChem-05072121512D 42 42 0 0 0 0 0 0 0999 V2000 6.3301 -3.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 0 0 0 0 6 18 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ D00423 -OEChem-05072121512D 40 42 0 1 0 0 0 0 0999 V2000 3.4022 1.4642 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.5841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 -1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 0.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 0.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0663 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7984 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3964 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3964 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3353 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2013 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 1.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -1.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4884 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9334 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9334 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -1.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 12 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$ D00424 -OEChem-05072121512D 44 44 0 1 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 35 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 M END $$$$ D00425 -OEChem-05072121512D 21 21 0 0 0 0 0 0 0999 V2000 5.3692 -1.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5835 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 2.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.9143 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5032 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -0.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -0.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 -0.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 -0.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 1.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 8 2 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$ D00426 -OEChem-05072121512D 31 32 0 0 0 0 0 0 0999 V2000 2.1340 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 1 0 0 0 0 2 15 2 0 0 0 0 3 14 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 M END $$$$ D00427 -OEChem-05072121512D 27 27 0 1 0 0 0 0 0999 V2000 4.5981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 27 1 0 0 0 0 5 4 1 1 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 M END $$$$ D00428 -OEChem-05072121512D 30 30 0 1 0 0 0 0 0999 V2000 3.7320 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END $$$$ D00429 -OEChem-05072121512D 39 41 0 1 0 0 0 0 0999 V2000 4.5981 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.2888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 2.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 2.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5948 2.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7975 2.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 3.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 20 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$ D00430 -OEChem-05072121512D 36 36 0 1 0 0 0 0 0999 V2000 3.7320 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END $$$$ D00431 -OEChem-05072121512D 73 81 0 1 0 0 0 0 0999 V2000 7.8657 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 -1.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 1.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4637 -0.6474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1477 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -0.0555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8084 -1.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3879 0.3687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1162 -0.4260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1290 1.3346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3390 0.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6974 1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4485 -0.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1056 -1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 -1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 -0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8069 1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4176 -1.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1328 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4891 -0.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7473 1.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9504 -1.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5238 -0.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5915 2.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 -3.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 -1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 2.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1728 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8265 -3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 -3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3660 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3455 3.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7001 0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4413 -0.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4753 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7682 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 2.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9242 0.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 1.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2456 -0.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8072 -1.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0478 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3496 -2.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5206 -2.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 -2.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 3.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1739 -3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7132 -1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5154 -0.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 2.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3910 -1.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -2.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 -2.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -1.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 -3.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 -4.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 4.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8141 3.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 1.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -1.4308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 -0.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 10 2 1 6 0 0 0 2 33 1 0 0 0 0 3 27 2 0 0 0 0 4 32 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 12 7 1 6 0 0 0 7 30 1 0 0 0 0 7 32 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 8 61 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 1 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 6 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 18 26 2 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 20 28 2 0 0 0 0 21 29 2 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 31 2 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 34 1 0 0 0 0 26 54 1 0 0 0 0 28 36 1 0 0 0 0 28 55 1 0 0 0 0 29 35 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 37 1 0 0 0 0 31 60 1 0 0 0 0 32 38 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 69 1 0 0 0 0 40 42 2 0 0 0 0 40 70 1 0 0 0 0 41 43 2 0 0 0 0 41 71 1 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 M END $$$$ D00432 -OEChem-05072121512D 67 71 0 1 0 0 0 0 0999 V2000 8.7010 1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.9509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -1.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0084 0.3538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8184 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6285 1.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4385 2.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -1.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -3.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1167 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 -3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 1.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 2.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 2.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 49 1 0 0 0 0 2 25 2 0 0 0 0 3 29 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 1 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 33 1 6 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 1 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 21 2 0 0 0 0 19 26 3 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 24 56 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END $$$$ D00433 -OEChem-05072121512D 31 31 0 1 0 0 0 0 0999 V2000 6.0010 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 25 1 0 0 0 0 9 2 1 1 0 0 0 2 26 1 0 0 0 0 10 3 1 6 0 0 0 3 29 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 1 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$ D00434 -OEChem-05072121512D 36 36 0 1 0 0 0 0 0999 V2000 6.0010 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1550 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 28 1 0 0 0 0 8 2 1 1 0 0 0 2 29 1 0 0 0 0 9 3 1 6 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 M END $$$$ D00435 -OEChem-05072121512D 40 41 0 1 0 0 0 0 0999 V2000 4.5981 1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9641 0.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4641 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5630 1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 -0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 0.2190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 2.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 1.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D00436 -OEChem-05072121512D 73 72 0 1 0 0 0 0 0999 V2000 16.7224 0.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.5885 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2224 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.2224 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6865 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6865 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3626 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2235 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9965 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1496 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1496 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3765 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2235 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 24 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 25 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 26 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ D00437 -OEChem-05072121512D 60 63 0 1 0 0 0 0 0999 V2000 6.0678 1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -1.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3796 -2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -2.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 -2.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -1.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 -1.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 -2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 41 1 0 0 0 0 2 17 2 0 0 0 0 3 19 1 0 0 0 0 3 48 1 0 0 0 0 4 23 1 0 0 0 0 4 49 1 0 0 0 0 5 20 2 0 0 0 0 6 28 1 0 0 0 0 6 54 1 0 0 0 0 7 29 2 0 0 0 0 15 8 1 6 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 25 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 29 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 6 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 6 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 24 28 2 0 0 0 0 25 30 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 31 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$ D00438 -OEChem-05072121512D 30 31 0 0 0 0 0 0 0999 V2000 4.2690 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 3.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 30 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 3 15 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 14 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 15 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 M END $$$$ D00439 -OEChem-05072121512D 39 42 0 1 0 0 0 0 0999 V2000 4.5438 -0.7951 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8430 -1.9740 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1973 -1.0814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 -0.3612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7732 -0.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 1.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6673 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 2.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 0.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4268 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -0.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5255 -0.3663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1708 -1.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 -2.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 -1.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -2.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6024 1.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6674 -2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -2.8814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 0.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 2.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 1.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 3.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0185 0.4185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 -1.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$ D00440 -OEChem-05072121512D 65 65 0 1 0 0 0 0 0999 V2000 12.2970 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4491 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7689 2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5369 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3459 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0369 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4029 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2689 1.1739 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4029 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7689 0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6309 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4429 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6433 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9999 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1909 1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 0.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3470 1.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7455 1.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2320 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0789 -0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3059 0.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9229 3.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5244 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1489 2.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2130 2.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6116 3.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1338 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 4.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 4.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 43 1 0 0 0 0 2 11 2 0 0 0 0 3 16 1 0 0 0 0 3 55 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 6 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 1 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 M END $$$$ D00441 -OEChem-05072121512D 28 29 0 1 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 18 2 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$ D00442 -OEChem-05072121512D 34 35 0 1 0 0 0 0 0999 V2000 3.7320 0.3450 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 3 19 2 0 0 0 0 4 19 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 16 2 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 M END $$$$ D00443 -OEChem-05072121512D 70 72 0 1 0 0 0 0 0999 V2000 8.1282 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5301 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2622 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7702 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 4.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 3.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0862 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7062 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 4.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 4.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 4.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 0.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 0.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4803 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 19 1 0 0 0 0 2 54 1 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 24 1 0 0 0 0 4 31 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 32 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 15 9 1 1 0 0 0 17 9 1 6 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 1 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 42 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 33 1 0 0 0 0 28 55 1 0 0 0 0 29 34 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END $$$$ D00444 -OEChem-05072121512D 44 46 0 1 0 0 0 0 0999 V2000 2.0000 -0.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1970 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 1.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 2.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 1.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 -0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5594 1.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0382 1.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 2.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 11 2 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 M END $$$$ D00445 -OEChem-05072121512D 77 81 0 1 0 0 0 0 0999 V2000 2.0000 -1.7742 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5923 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6904 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7980 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2730 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1078 -2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5827 -3.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7229 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4549 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3254 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8613 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2273 1.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0004 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1534 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1534 0.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3804 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2273 0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 53 1 0 0 0 0 4 12 2 0 0 0 0 5 23 1 0 0 0 0 5 71 1 0 0 0 0 6 33 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 14 16 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 21 2 0 0 0 0 17 56 1 0 0 0 0 18 22 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 23 1 0 0 0 0 20 26 2 0 0 0 0 21 25 1 0 0 0 0 21 28 1 0 0 0 0 22 25 2 0 0 0 0 22 58 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 31 1 0 0 0 0 26 61 1 0 0 0 0 27 31 2 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 28 69 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 70 1 0 0 0 0 32 33 1 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 34 36 2 0 0 0 0 34 73 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 37 39 1 0 0 0 0 38 40 2 0 0 0 0 38 75 1 0 0 0 0 39 41 2 0 0 0 0 39 76 1 0 0 0 0 40 41 1 0 0 0 0 41 77 1 0 0 0 0 M END $$$$ D00446 -OEChem-05072121512D 55 58 0 0 0 0 0 0 0999 V2000 5.4641 -3.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -2.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.2085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -0.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 -2.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 -2.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 -1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9940 -0.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 -0.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 15 2 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 28 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 23 1 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 26 1 0 0 0 0 21 44 1 0 0 0 0 22 25 2 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$ D00447 -OEChem-05072121512D 40 44 0 1 0 0 0 0 0999 V2000 2.2314 0.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -0.9511 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -0.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3370 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.9511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5133 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.4887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 0.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -2.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 2.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 14 2 1 6 0 0 0 2 39 1 0 0 0 0 3 20 1 0 0 0 0 3 40 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 1 0 0 0 7 11 1 0 0 0 0 7 23 1 6 0 0 0 8 14 1 0 0 0 0 8 24 1 1 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 20 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$ D00448 -OEChem-05072121512D 53 57 0 1 0 0 0 0 0999 V2000 5.0749 1.7832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -1.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5553 2.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2050 1.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 2.8073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 -0.2169 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 -2.2808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 -0.2515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -1.4148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1671 0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5553 -1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 -2.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0453 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 0.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -0.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 1.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3370 1.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 0.2282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5005 -2.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 0.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 0.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -1.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -1.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 0.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.3367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 -1.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9306 -2.7209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1459 -2.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6303 -1.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -2.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -2.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0087 -0.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 -1.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -2.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2509 -2.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7407 1.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 27 2 0 0 0 0 4 28 1 0 0 0 0 4 53 1 0 0 0 0 5 28 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 6 0 0 0 10 12 1 0 0 0 0 10 31 1 6 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$ D00449 -OEChem-05072121512D 62 64 0 0 0 0 0 0 0999 V2000 2.0000 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6542 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3812 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0706 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8195 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6080 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 59 1 0 0 0 0 6 24 2 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END $$$$ D00450 -OEChem-05072121512D 43 44 0 0 0 0 0 0 0999 V2000 11.8610 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5880 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 -0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2774 0.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0264 -1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8148 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 12 1 0 0 0 0 3 39 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 43 1 0 0 0 0 6 23 2 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$ D00451 -OEChem-05072121512D 33 34 0 0 0 0 0 0 0999 V2000 9.8602 1.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4203 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 1.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 M END $$$$ D00452 -OEChem-05072121512D 49 50 0 1 0 0 0 0 0999 V2000 2.0000 1.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 0.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 -2.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 -3.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -1.1422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1893 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 -3.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 -4.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -0.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 -2.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 0.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -4.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4314 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2143 -3.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -3.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 -4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -4.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -1.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 -1.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -2.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 38 1 0 0 0 0 7 2 1 6 0 0 0 2 39 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 15 1 0 0 0 0 4 49 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 18 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 19 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END $$$$ D00453 -OEChem-05072121522D 76 83 0 1 0 0 0 0 0999 V2000 4.0778 3.5158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 1.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 1.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 5.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 -0.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -3.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0071 2.5119 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6701 -0.4147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -3.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -3.9536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.9874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3598 2.5119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1834 2.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0856 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 2.5119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5361 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4383 3.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 4.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6882 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6629 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 4.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6188 1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3950 2.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3598 5.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 5.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 5.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 0.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -1.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -3.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -5.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -6.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -6.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 2.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 4.2896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 3.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 2.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 0.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 1.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 3.8308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 4.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 3.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3453 4.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1679 1.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9298 1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3724 2.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 1.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 1.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9660 2.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 3.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8967 5.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 6.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 1.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 -0.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 6.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -0.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -2.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -2.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2901 -1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 -0.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -4.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -5.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -5.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -7.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -6.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 12 2 1 1 0 0 0 2 56 1 0 0 0 0 3 24 1 0 0 0 0 3 63 1 0 0 0 0 4 29 1 0 0 0 0 4 65 1 0 0 0 0 5 31 2 0 0 0 0 6 10 1 0 0 0 0 6 35 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 64 1 0 0 0 0 9 35 2 0 0 0 0 9 36 1 0 0 0 0 10 36 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 43 1 6 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 24 1 0 0 0 0 15 46 1 1 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 25 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 23 29 2 0 0 0 0 24 25 2 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 62 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 M END $$$$ D00454 -OEChem-05072121522D 99103 0 1 0 0 0 0 0999 V2000 11.7577 7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6824 6.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 10.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -7.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -10.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6869 6.9889 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.2160 7.4644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0396 6.9889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8633 7.4644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3923 6.9889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7655 8.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2160 8.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0396 6.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.0378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8633 8.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2160 5.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1181 8.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0396 8.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3681 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0396 9.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 9.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2160 10.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3427 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0239 5.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1547 6.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5759 6.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9023 8.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2058 8.4287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2517 5.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6502 6.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4739 8.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0754 8.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8175 5.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6145 5.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7103 8.3457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0252 8.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7902 5.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8478 5.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6097 5.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5766 10.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2160 10.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7384 3.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5247 7.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 10.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 4.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 3.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8420 5.1558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6282 5.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 3.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 2.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 0.9552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 0.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -5.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -4.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2521 -4.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -5.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -5.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -6.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -8.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -7.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -9.5448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -8.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -8.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -9.5698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -10.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -11.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -11.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 14 2 1 1 0 0 0 2 60 1 0 0 0 0 20 3 1 6 0 0 0 3 30 1 0 0 0 0 4 28 1 0 0 0 0 4 68 1 0 0 0 0 5 32 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 1 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 47 1 6 0 0 0 16 20 1 0 0 0 0 16 48 1 1 0 0 0 17 23 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 26 31 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 67 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 39 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 41 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 43 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 45 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 M END $$$$ D00455 -OEChem-05072121522D 48 53 0 1 0 0 0 0 0999 V2000 2.2314 -0.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.2611 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3370 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7724 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -1.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3215 -2.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0834 -2.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5260 -1.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -2.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3916 -2.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1196 -0.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2115 -0.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -2.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 7 2 1 1 0 0 0 2 45 1 0 0 0 0 3 19 2 0 0 0 0 4 24 1 0 0 0 0 4 48 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 6 0 0 0 9 19 1 0 0 0 0 9 27 1 1 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$ D00456 -OEChem-05072121522D 31 32 0 1 0 0 0 0 0999 V2000 9.5312 1.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -0.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0912 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9372 0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7070 1.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 6 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 16 27 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END $$$$ D00457 -OEChem-05072121522D 48 50 0 0 0 0 0 0 0999 V2000 3.7320 -0.6064 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.2596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 2.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -2.4111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 0.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6082 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -1.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 -0.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1043 1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2687 0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3181 -0.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9413 2.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3481 1.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1552 1.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9908 1.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 -1.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8404 2.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 3.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 3.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -3.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 M END $$$$ D00458 -OEChem-05072121522D 50 51 0 1 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 1 0 0 0 0 2 47 1 0 0 0 0 3 17 2 0 0 0 0 4 12 1 0 0 0 0 15 4 1 1 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 M END $$$$ D00459 -OEChem-05072121522D 54 57 0 1 0 0 0 0 0999 V2000 15.9885 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3961 0.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7263 -0.3623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2622 -0.3623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5923 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8569 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6601 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 47 1 0 0 0 0 6 11 1 0 0 0 0 6 48 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 46 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 28 2 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$ D00460 -OEChem-05072121522D 65 68 0 0 0 0 0 0 0999 V2000 2.0000 -6.1283 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.5353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 5.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 3.0741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 1.4649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 2.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 5.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 4.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 6.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9316 4.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3383 5.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.0457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 4.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 4.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6429 2.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 2.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 3.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5496 3.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 0.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7002 0.6236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0144 1.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 3.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3916 6.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 3.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 6.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 5.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 17 2 0 0 0 0 3 25 1 0 0 0 0 3 28 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 18 2 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 48 1 0 0 0 0 20 24 2 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 33 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 M END $$$$ D00461 -OEChem-05072121522D 85 88 0 1 0 0 0 0 0999 V2000 8.9962 -0.3730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.6270 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 4.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.6270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8000 1.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 -0.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 3.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 3.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 0.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 3.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 3.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 0.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 3.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 2.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 1.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 1.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 1.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 4.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 5.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3010 5.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 6.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2272 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2272 3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0741 3.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 4.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -3.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -2.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 -3.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -4.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 -0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1312 1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 19 2 0 0 0 0 20 3 1 6 0 0 0 3 61 1 0 0 0 0 4 27 2 0 0 0 0 5 34 1 0 0 0 0 5 85 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 7 59 1 0 0 0 0 21 8 1 6 0 0 0 8 27 1 0 0 0 0 8 64 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 6 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 42 1 6 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 17 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 1 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 31 74 1 0 0 0 0 32 37 1 0 0 0 0 32 75 1 0 0 0 0 33 38 2 0 0 0 0 33 76 1 0 0 0 0 34 39 2 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 39 1 0 0 0 0 36 80 1 0 0 0 0 37 40 2 0 0 0 0 37 81 1 0 0 0 0 38 40 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 M END $$$$ D00462 -OEChem-05072121522D 88 91 0 1 0 0 0 0 0999 V2000 7.0888 0.6070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2644 2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 0.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2825 3.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7095 1.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9186 3.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 -0.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9677 4.2376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 2.6431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8824 1.0494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 5.4343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6821 1.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2699 2.3295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8631 3.2431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6876 1.6251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2808 2.5386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8686 3.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -0.2020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.7409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8100 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1920 -1.1531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1779 2.6317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9870 2.0440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9005 2.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -3.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0050 3.4452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1960 4.0330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.7409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2410 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.2409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3005 5.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6343 2.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 3.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0286 3.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0395 3.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 3.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 -0.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -2.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2485 -0.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7536 -0.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 2.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4885 1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8357 1.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4661 4.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 4.4898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0698 4.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0341 3.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 2.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4832 0.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -1.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2219 -1.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1505 5.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 4.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3840 0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3160 0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2759 2.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6267 -0.1865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2789 6.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7157 5.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -1.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 26 1 1 1 0 0 0 21 2 1 1 0 0 0 30 2 1 1 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 27 4 1 6 0 0 0 33 4 1 6 0 0 0 23 5 1 1 0 0 0 5 65 1 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 33 1 0 0 0 0 7 40 1 0 0 0 0 28 8 1 6 0 0 0 8 71 1 0 0 0 0 32 9 1 6 0 0 0 9 80 1 0 0 0 0 34 10 1 1 0 0 0 10 81 1 0 0 0 0 37 11 1 1 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 83 1 0 0 0 0 39 13 1 6 0 0 0 13 84 1 0 0 0 0 22 14 1 6 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 24 15 1 6 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 31 16 1 1 0 0 0 16 74 1 0 0 0 0 16 75 1 0 0 0 0 36 17 1 6 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 41 1 0 0 0 0 18 85 1 0 0 0 0 18 86 1 0 0 0 0 19 42 1 0 0 0 0 19 87 1 0 0 0 0 19 88 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 38 1 1 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 41 1 6 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 42 1 6 0 0 0 40 70 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$ D00463 -OEChem-05072121522D 69 72 0 0 0 0 0 0 0999 V2000 14.1405 -0.2225 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1174 1.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -0.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -3.3318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3224 -0.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8377 2.7973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5368 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4085 -0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5252 1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2572 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2687 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3854 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -1.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1058 2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9660 3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9544 4.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8146 4.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6979 3.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 4.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -3.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4157 -0.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9847 1.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -4.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3782 2.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -4.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -5.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -5.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8870 3.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4965 2.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4139 4.5910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8074 5.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2384 3.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2197 4.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 3 33 1 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 43 1 0 0 0 0 6 13 1 0 0 0 0 6 20 2 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 7 45 1 0 0 0 0 8 29 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 28 3 0 0 0 0 10 36 1 0 0 0 0 10 39 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 22 27 2 0 0 0 0 22 47 1 0 0 0 0 23 32 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 30 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 36 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 38 40 2 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 M END $$$$ D00464 -OEChem-05072121522D 34 37 0 0 0 0 0 0 0999 V2000 5.8169 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.6128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 1.5779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -0.8991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -0.8991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -2.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -2.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 -2.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 -3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 -3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9656 -2.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 2.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 1.7244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 2.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9518 1.9648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 9 2 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 15 20 2 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$ D00465 -OEChem-05072121522D 64 66 0 1 0 0 0 0 0999 V2000 8.0622 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.2583 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 2.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4344 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 32 1 0 0 0 0 3 16 2 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 37 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 8 29 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 17 24 1 0 0 0 0 17 38 1 0 0 0 0 18 25 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 34 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 35 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$ D00466 -OEChem-05072121522D 14 14 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ D00467 -OEChem-05072121522D 43 44 0 0 0 0 0 0 0999 V2000 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$ D00468 -OEChem-05072121522D 61 65 0 0 0 0 0 0 0999 V2000 2.3660 1.1921 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1739 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.5400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 4.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 3.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 4.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 5.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 3.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 3.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -2.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 5.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 6.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 6.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 22 2 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 27 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 43 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 7 49 1 0 0 0 0 8 27 2 0 0 0 0 8 28 1 0 0 0 0 9 30 1 0 0 0 0 9 32 2 0 0 0 0 10 30 2 0 0 0 0 10 35 1 0 0 0 0 11 37 1 0 0 0 0 11 39 2 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 25 1 0 0 0 0 20 29 1 0 0 0 0 21 44 1 0 0 0 0 23 28 2 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 27 48 1 0 0 0 0 28 31 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 33 37 2 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 36 38 2 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 M END $$$$ D00469 -OEChem-05072121522D 32 33 0 0 0 0 0 0 0999 V2000 4.5981 3.0903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.0903 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 -2.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5903 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 2.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.2461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0903 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4128 -2.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2049 -3.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 -0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -1.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9688 -3.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8158 -2.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5888 -2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 -2.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -3.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8113 -3.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 12 2 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$ D00470 -OEChem-05072121522D 56 57 0 1 0 0 0 0 0999 V2000 3.7320 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$ D00471 -OEChem-05072121522D 44 47 0 1 0 0 0 0 0999 V2000 4.2690 -1.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 1.7245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 0.8585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 0.0538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 0.8585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2988 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -0.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 1.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4888 0.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 -0.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4065 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4065 2.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7162 1.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1912 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8814 -0.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2738 0.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2738 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6088 2.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 -0.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 2.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -0.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 2.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 2.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 1 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$ D00472 -OEChem-05072121522D 52 53 0 1 0 0 0 0 0999 V2000 4.5981 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 16 23 2 0 0 0 0 17 24 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 2 5 -1 8 1 M END $$$$ D00473 -OEChem-05072121522D 30 31 0 0 0 0 0 0 0999 V2000 5.5211 1.2071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6491 3.8807 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2478 2.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 1.2071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 2.9672 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 2.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$ D00474 -OEChem-05072121522D 33 34 0 0 0 0 0 0 0999 V2000 5.5981 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 14 2 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M CHG 2 7 -1 9 1 M END $$$$ D00475 -OEChem-05072121522D 23 24 0 0 0 0 0 0 0999 V2000 3.2733 1.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8606 -4.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7084 -1.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.0546 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 3.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -1.7068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4483 -3.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -0.7068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.1411 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1393 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7574 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8293 -1.7576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -2.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 -3.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -0.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4810 1.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 2.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 8 14 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 17 23 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$ D00476 -OEChem-05072121522D 20 19 0 0 0 0 0 0 0999 V2000 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 M CHG 6 4 -1 6 -1 7 -1 10 1 11 1 12 1 M END $$$$ D00477 -OEChem-05072121522D 42 42 0 0 0 0 0 0 0999 V2000 8.0337 -0.7098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 -0.1189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1590 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 -0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -1.6577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.3705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9912 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7996 -1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5808 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 38 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 30 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$ D00478 -OEChem-05072121522D 48 51 0 1 0 0 0 0 0999 V2000 8.0319 1.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.6286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 0.9333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.8783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 0.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 -0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 44 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 1 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 6 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 1 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 3 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 22 48 1 0 0 0 0 M END $$$$ D00479 -OEChem-05072121522D 41 43 0 0 0 0 0 0 0999 V2000 4.2639 1.2879 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2639 -0.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -1.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6601 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5261 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 0.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3176 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -2.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 -1.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0412 1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 -2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3501 -2.7732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -2.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9701 -1.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 41 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 22 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$ D00480 -OEChem-05072121522D 41 43 0 0 0 0 0 0 0999 V2000 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4199 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -1.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END $$$$ D00481 -OEChem-05072121522D 140142 0 1 0 0 0 0 0999 V2000 16.3933 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1254 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.1254 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2594 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.9914 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2594 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9914 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.8574 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7953 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 19 2 1 1 0 0 0 2 78 1 0 0 0 0 3 22 1 0 0 0 0 3 80 1 0 0 0 0 4 27 1 0 0 0 0 30 4 1 1 0 0 0 5 30 1 0 0 0 0 5 35 1 0 0 0 0 6 26 1 0 0 0 0 6 90 1 0 0 0 0 7 28 1 0 0 0 0 7 92 1 0 0 0 0 8 29 1 0 0 0 0 8 93 1 0 0 0 0 9 28 2 0 0 0 0 31 10 1 6 0 0 0 10101 1 0 0 0 0 34 11 1 1 0 0 0 11104 1 0 0 0 0 12 38 1 0 0 0 0 12107 1 0 0 0 0 13 42 1 0 0 0 0 13112 1 0 0 0 0 14 44 1 0 0 0 0 14121 1 0 0 0 0 15 49 1 0 0 0 0 15 52 1 0 0 0 0 48 16 1 1 0 0 0 16130 1 0 0 0 0 17 52 2 0 0 0 0 33 18 1 6 0 0 0 18 99 1 0 0 0 0 18100 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 66 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 67 1 0 0 0 0 22 23 1 0 0 0 0 22 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 26 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 27 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 29 1 0 0 0 0 26 75 1 0 0 0 0 27 36 1 0 0 0 0 27 76 1 0 0 0 0 29 32 1 0 0 0 0 29 77 1 0 0 0 0 30 31 1 0 0 0 0 30 79 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 32 37 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 33 84 1 0 0 0 0 34 35 1 0 0 0 0 34 85 1 0 0 0 0 35 39 1 6 0 0 0 35 86 1 0 0 0 0 36 41 2 0 0 0 0 36 87 1 0 0 0 0 37 38 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 40 1 0 0 0 0 38 91 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 39 96 1 0 0 0 0 40 42 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 45 1 0 0 0 0 41102 1 0 0 0 0 42 43 1 0 0 0 0 42103 1 0 0 0 0 43 44 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 44 46 1 0 0 0 0 44108 1 0 0 0 0 45 50 2 0 0 0 0 45109 1 0 0 0 0 46 52 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 53 1 6 0 0 0 47113 1 0 0 0 0 48 51 1 0 0 0 0 48114 1 0 0 0 0 49 54 1 6 0 0 0 49115 1 0 0 0 0 50 57 1 0 0 0 0 50117 1 0 0 0 0 51 55 1 6 0 0 0 51 56 1 0 0 0 0 51116 1 0 0 0 0 53118 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55125 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56 58 2 0 0 0 0 56128 1 0 0 0 0 57 59 2 0 0 0 0 57129 1 0 0 0 0 58 60 1 0 0 0 0 58131 1 0 0 0 0 59 61 1 0 0 0 0 59132 1 0 0 0 0 60 62 2 0 0 0 0 60133 1 0 0 0 0 61 65 2 0 0 0 0 61134 1 0 0 0 0 62 63 1 0 0 0 0 62135 1 0 0 0 0 63 64 1 0 0 0 0 63136 1 0 0 0 0 63137 1 0 0 0 0 64 65 1 0 0 0 0 64138 1 0 0 0 0 64139 1 0 0 0 0 65140 1 0 0 0 0 M END $$$$ D00482 -OEChem-05072121522D 74 77 0 1 0 0 0 0 0999 V2000 7.9506 -2.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 4.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 2.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -1.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.5620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.5620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.4380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.0688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -2.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.7427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0789 -2.1035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.6313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.6932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4120 -1.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1847 -3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 2.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -4.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 3.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -2.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0848 -2.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -2.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.4767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 2.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -1.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 -4.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -3.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 1.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 2.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 -3.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 -4.4466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6326 -4.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 3.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 4.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 62 1 0 0 0 0 24 2 1 6 0 0 0 2 71 1 0 0 0 0 3 30 1 0 0 0 0 3 74 1 0 0 0 0 4 30 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 31 1 1 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 6 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 33 1 6 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 1 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 1 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 10 34 1 1 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 35 1 6 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 25 1 6 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 24 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 6 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 29 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 30 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 M END $$$$ D00483 -OEChem-05072121522D 46 49 0 1 0 0 0 0 0999 V2000 6.3301 2.6342 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -0.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -2.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8008 -1.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 -1.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -1.9351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5461 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 -1.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -2.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 -1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9869 -2.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 -1.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -1.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2431 -2.4897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -2.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4544 -3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -2.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5074 -3.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 46 1 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 M END $$$$ D00484 -OEChem-05072121522D 42 45 0 0 0 0 0 0 0999 V2000 3.7230 -2.6610 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 0.5044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 2.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 -0.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -2.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 0.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 1.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1137 1.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -0.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3552 -1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 -1.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 -1.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3796 -2.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 -2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 -0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1322 -2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 -1.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -2.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 0.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -0.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2710 2.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 2.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 3.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 3.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 2.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 -0.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -3.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 -3.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -2.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9534 -1.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5827 -2.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$ D00485 -OEChem-05072121522D 55 59 0 0 0 0 0 0 0999 V2000 8.1301 -0.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 5.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 4.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 -4.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 -5.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3263 -6.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -6.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 -5.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 -2.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -4.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -4.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 -2.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 5.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 4.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 17 2 0 0 0 0 4 29 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 29 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$ D00486 -OEChem-05072121522D 59 62 0 0 0 0 0 0 0999 V2000 2.3644 0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 2.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 0.3252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3233 0.9130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9413 0.9130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6323 1.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6323 1.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 -0.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 -0.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 -1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 -0.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 1.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3668 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -2.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4002 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4002 0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2663 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2663 -2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9983 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 -2.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9983 -2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2007 1.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 1.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1496 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9033 -0.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 -1.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 1.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 1.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -2.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0383 -2.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1313 -0.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 1.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 -3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 -3.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9372 0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 2.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7293 -2.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 -0.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 -3.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5353 -2.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2679 2.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 46 1 0 0 0 0 2 20 1 0 0 0 0 2 54 1 0 0 0 0 3 20 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 32 2 0 0 0 0 7 9 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 59 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 33 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$ D00487 -OEChem-05072121522D 32 33 0 0 0 0 0 0 0999 V2000 2.5369 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 29 1 0 0 0 0 2 16 1 0 0 0 0 2 30 1 0 0 0 0 3 21 1 0 0 0 0 3 31 1 0 0 0 0 4 22 1 0 0 0 0 4 32 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$ D00488 -OEChem-05072121522D 158155 0 0 0 0 0 0 0999 V2000 0.5369 6.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 16.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 15.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 8.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 15.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 16.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 13.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 13.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 12.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 10.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 5.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 8.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 7.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 9.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 9.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 9.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 10.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 10.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2027 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9997 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9091 11.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 11.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 10.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1337 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3366 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9872 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6022 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6022 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9872 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 15.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 15.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9872 14.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9872 13.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5887 13.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 12.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 12.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 17.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 16.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9997 17.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2027 17.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6022 15.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9472 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3457 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6022 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7362 11.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3457 13.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9472 13.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 11.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 11.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 12.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 13.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 10.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 10.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 10.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4471 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8271 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3831 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6231 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 16.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 85 1 0 0 0 0 2 15 2 0 0 0 0 3 31 1 0 0 0 0 3115 1 0 0 0 0 4 31 2 0 0 0 0 5 62 1 0 0 0 0 5158 1 0 0 0 0 6 62 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 67 1 0 0 0 0 7 68 1 0 0 0 0 8 10 1 0 0 0 0 8 69 1 0 0 0 0 8 70 1 0 0 0 0 9 11 1 0 0 0 0 9 71 1 0 0 0 0 9 72 1 0 0 0 0 10 12 1 0 0 0 0 10 73 1 0 0 0 0 10 74 1 0 0 0 0 11 13 1 0 0 0 0 11 75 1 0 0 0 0 11 76 1 0 0 0 0 12 14 1 0 0 0 0 12 77 1 0 0 0 0 12 78 1 0 0 0 0 13 15 1 0 0 0 0 13 79 1 0 0 0 0 13 80 1 0 0 0 0 14 16 2 0 0 0 0 14 81 1 0 0 0 0 16 17 1 0 0 0 0 16 82 1 0 0 0 0 17 18 1 0 0 0 0 17 83 1 0 0 0 0 17 84 1 0 0 0 0 18 19 2 0 0 0 0 18 86 1 0 0 0 0 19 20 1 0 0 0 0 19 87 1 0 0 0 0 20 21 1 0 0 0 0 20 88 1 0 0 0 0 20 89 1 0 0 0 0 21 22 2 0 0 0 0 21 90 1 0 0 0 0 22 23 1 0 0 0 0 22 91 1 0 0 0 0 23 26 1 0 0 0 0 23 92 1 0 0 0 0 23 93 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 94 1 0 0 0 0 24 95 1 0 0 0 0 25 28 1 0 0 0 0 25 96 1 0 0 0 0 25 97 1 0 0 0 0 26 98 1 0 0 0 0 26 99 1 0 0 0 0 26100 1 0 0 0 0 27 31 1 0 0 0 0 27101 1 0 0 0 0 27102 1 0 0 0 0 28 29 2 0 0 0 0 28103 1 0 0 0 0 29 30 1 0 0 0 0 29104 1 0 0 0 0 30 32 1 0 0 0 0 30105 1 0 0 0 0 30106 1 0 0 0 0 32 33 2 0 0 0 0 32107 1 0 0 0 0 33 34 1 0 0 0 0 33108 1 0 0 0 0 34 35 1 0 0 0 0 34109 1 0 0 0 0 34110 1 0 0 0 0 35 37 2 0 0 0 0 35111 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 36112 1 0 0 0 0 36113 1 0 0 0 0 37114 1 0 0 0 0 38 43 1 0 0 0 0 38 45 1 0 0 0 0 38116 1 0 0 0 0 38117 1 0 0 0 0 39 44 1 0 0 0 0 39 46 1 0 0 0 0 39118 1 0 0 0 0 39119 1 0 0 0 0 40 48 2 0 0 0 0 40120 1 0 0 0 0 41 49 1 0 0 0 0 41 50 1 0 0 0 0 41121 1 0 0 0 0 41122 1 0 0 0 0 42 51 1 0 0 0 0 42 53 1 0 0 0 0 42123 1 0 0 0 0 42124 1 0 0 0 0 43 44 2 0 0 0 0 43125 1 0 0 0 0 44126 1 0 0 0 0 45 62 1 0 0 0 0 45127 1 0 0 0 0 45128 1 0 0 0 0 46 49 2 0 0 0 0 46129 1 0 0 0 0 47 48 1 0 0 0 0 47 56 1 0 0 0 0 47130 1 0 0 0 0 47131 1 0 0 0 0 48133 1 0 0 0 0 49132 1 0 0 0 0 50 51 2 0 0 0 0 50134 1 0 0 0 0 51135 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 53 54 2 0 0 0 0 53138 1 0 0 0 0 54139 1 0 0 0 0 55 58 2 0 0 0 0 55140 1 0 0 0 0 56 59 2 0 0 0 0 56143 1 0 0 0 0 57 58 1 0 0 0 0 57 61 1 0 0 0 0 57141 1 0 0 0 0 57142 1 0 0 0 0 58144 1 0 0 0 0 59 60 1 0 0 0 0 59145 1 0 0 0 0 60 65 1 0 0 0 0 60146 1 0 0 0 0 60147 1 0 0 0 0 61 64 2 0 0 0 0 61148 1 0 0 0 0 63 64 1 0 0 0 0 63 66 1 0 0 0 0 63149 1 0 0 0 0 63150 1 0 0 0 0 64151 1 0 0 0 0 65152 1 0 0 0 0 65153 1 0 0 0 0 65154 1 0 0 0 0 66155 1 0 0 0 0 66156 1 0 0 0 0 66157 1 0 0 0 0 M END $$$$ D00489 -OEChem-05072121522D 43 45 0 1 0 0 0 0 0999 V2000 7.9939 0.1690 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.4939 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.9737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.6357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.5630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -1.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 1.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 -2.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -0.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 0.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$ D00490 -OEChem-05072121522D 41 44 0 1 0 0 0 0 0999 V2000 5.3923 -2.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.1642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -1.4922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7824 -0.6886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -0.9507 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0547 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7883 -0.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1186 -2.1642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -0.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9866 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2916 0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 -1.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 -0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 0.5305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 1.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -2.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 -2.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 2.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -1.7468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0514 -2.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -1.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -1.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8298 0.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9837 0.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7535 -0.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00491 -OEChem-05072121522D 88 88 0 1 0 0 0 0 0999 V2000 8.0191 0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 -0.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7112 3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0382 2.7684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 1.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 1.4235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7262 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6921 1.8718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0191 0.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9510 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 2.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4004 -1.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0723 3.0272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3664 -1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6252 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8475 4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5911 -3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8499 -3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5887 5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 3.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8159 -4.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0747 -5.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 2.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 2.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8199 2.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 2.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5317 2.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5345 0.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1468 2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3769 3.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5581 -0.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1217 -0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7593 -0.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 1.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7828 -1.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4204 -1.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 3.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 3.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4311 4.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 4.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5711 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2487 4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2088 -2.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 -2.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 3.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2323 -4.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7959 -4.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1876 5.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 5.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9898 5.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 3.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7020 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 3.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4335 -4.1979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8699 -3.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 4.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -5.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2351 -5.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6735 -5.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 11 2 1 1 0 0 0 2 21 1 0 0 0 0 3 12 2 0 0 0 0 4 21 2 0 0 0 0 5 34 2 0 0 0 0 22 6 1 6 0 0 0 6 34 1 0 0 0 0 6 74 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 36 1 0 0 0 0 8 10 1 1 0 0 0 8 12 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 24 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 23 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 35 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 M END $$$$ D00492 -OEChem-05072121522D 43 44 0 1 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 M END $$$$ D00494 -OEChem-05072121522D 50 50 0 1 0 0 0 0 0999 V2000 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 7 5 1 6 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 8 6 1 1 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END $$$$ D00495 -OEChem-05072121522D 70 73 0 1 0 0 0 0 0999 V2000 5.9209 0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6430 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -5.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 5.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -1.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 1.1544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.3159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -6.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 6.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 4.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 1.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 -0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2845 3.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4489 2.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 4.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5246 4.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6056 2.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0844 2.9770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 3.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 -0.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -6.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -6.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -5.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -1.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 1.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 5.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9775 6.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1956 6.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 5.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 4.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 4.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -1.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 -0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 1.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 1.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6739 1.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9565 -0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 -0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 35 1 0 0 0 0 2 34 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 19 1 0 0 0 0 6 29 1 0 0 0 0 6 53 1 0 0 0 0 7 16 1 0 0 0 0 7 34 1 0 0 0 0 7 54 1 0 0 0 0 8 23 2 0 0 0 0 8 29 1 0 0 0 0 9 29 2 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 2 0 0 0 0 14 25 2 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 16 22 2 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 47 1 0 0 0 0 23 32 1 0 0 0 0 24 30 1 0 0 0 0 24 48 1 0 0 0 0 25 31 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END $$$$ D00496 -OEChem-05072121522D 50 52 0 0 0 0 0 0 0999 V2000 3.7320 4.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 50 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 12 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 30 1 0 0 0 0 11 18 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 20 1 0 0 0 0 13 34 1 0 0 0 0 14 21 2 0 0 0 0 14 35 1 0 0 0 0 15 22 1 0 0 0 0 15 36 1 0 0 0 0 16 23 2 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$ D00497 -OEChem-05072121522D 52 55 0 1 0 0 0 0 0999 V2000 9.1493 1.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.0791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.9209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 1.2257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.6275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.4448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.4188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4103 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2085 -2.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 2.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 1.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 52 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 22 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 6 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 1 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 6 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 1 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 13 32 1 6 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 M END $$$$ D00498 -OEChem-05072121522D 37 39 0 0 0 0 0 0 0999 V2000 3.4543 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 0.2961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7176 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9255 -1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 0.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 2.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 0.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 -2.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -4.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -4.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1784 -0.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 -2.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5152 -1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 20 1 0 0 0 0 2 37 1 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$ D00499 -OEChem-05072121522D 31 33 0 1 0 0 0 0 0999 V2000 8.1647 -0.1360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -2.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -0.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.1602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3946 -0.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 -2.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -2.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 2.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 -2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.8113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 1.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7119 2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 3.0151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 3.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$ D00500 -OEChem-05072121522D 31 33 0 0 0 0 0 0 0999 V2000 3.9491 2.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -1.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.4858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -1.9858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 1.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 1.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 2.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 1.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -1.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -1.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 1.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -0.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -0.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7490 -2.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2859 -1.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$ D00501 -OEChem-05072121522D 57 58 0 1 0 0 0 0 0999 V2000 2.3100 0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -2.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.6651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4440 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -1.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8100 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -0.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -0.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -0.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -0.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -1.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -1.7273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 -2.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 -2.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 3.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 4.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 0.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 0.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7274 -3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4177 -3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -3.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 -4.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 -1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -4.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4300 -3.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -3.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4300 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8100 -1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 38 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 13 2 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 3 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 M END $$$$ D00502 -OEChem-05072121532D 44 48 0 1 0 0 0 0 0999 V2000 2.2314 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 -2.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.4511 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.4511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3370 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -2.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 7 2 1 1 0 0 0 2 36 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 24 1 6 0 0 0 9 17 1 0 0 0 0 9 25 1 1 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 21 2 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$ D00503 -OEChem-05072121532D 41 45 0 1 0 0 0 0 0999 V2000 2.2314 -0.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 -2.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.2611 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6897 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5133 -1.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3370 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2392 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 0.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -3.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -2.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3879 -2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -1.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 7 2 1 1 0 0 0 2 35 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 41 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 1 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 6 0 0 0 9 17 1 0 0 0 0 9 24 1 1 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 21 2 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$ D00504 -OEChem-05072121532D 62 66 0 0 0 0 0 0 0999 V2000 2.8660 -0.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 1.5023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3359 2.4956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.4843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 1.0124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 2.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3320 1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4718 2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 1.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8680 1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -1.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 -1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 -2.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 -2.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 -1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 -3.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -3.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -3.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -3.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 2.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3940 3.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9929 2.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5418 0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9430 1.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8721 3.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0751 3.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8740 2.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1258 -1.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8703 2.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8578 -1.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 22 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 15 2 0 0 0 0 4 25 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 55 1 0 0 0 0 7 20 1 0 0 0 0 7 25 2 0 0 0 0 8 25 1 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 9 30 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 M END $$$$ D00505 -OEChem-05072121532D 58 62 0 1 0 0 0 0 0999 V2000 14.5715 -0.8027 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8031 -3.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 2.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 -2.8152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.6736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.7082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 -1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 -2.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 -0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2823 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9252 -0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5930 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -0.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 0.2562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 -1.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.9090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 0.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 0.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 0.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 0.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -0.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 -0.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 0.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 -0.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 1.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5326 -0.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 1.1366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 2.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 3.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6964 -2.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1178 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 7 1 0 0 0 0 2 26 1 0 0 0 0 3 19 1 0 0 0 0 3 56 1 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 7 15 2 0 0 0 0 8 22 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 24 1 0 0 0 0 17 25 2 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 M END $$$$ D00506 -OEChem-05072121532D 46 50 0 1 0 0 0 0 0999 V2000 2.6947 -0.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 2.2502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -0.1639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9271 2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 0.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1339 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 3.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8192 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 3.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 -1.6639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2928 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 -2.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -0.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -1.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1657 -3.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 -3.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -3.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6508 -2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5448 -3.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -3.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 2.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9996 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 1.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 1.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6346 0.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7797 4.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 3.6972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -0.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3376 0.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 3.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7797 4.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9034 -0.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 -0.0813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 -2.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 -1.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -3.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7743 -3.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 -4.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7325 -4.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 -1.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -4.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -3.5203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 5 3 1 1 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 6 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$ D00507 -OEChem-05072121532D 49 51 0 0 0 0 0 0 0999 V2000 9.1206 4.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.0718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 4.2995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 3.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -1.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -0.6103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -3.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 -1.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -0.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 -0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2928 0.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 1.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 2.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0852 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 3.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 5.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 2 0 0 0 0 2 5 1 0 0 0 0 2 49 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$ D00508 -OEChem-05072121532D 41 43 0 1 0 0 0 0 0999 V2000 8.8600 0.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7774 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$ D00509 -OEChem-05072121532D 74 76 0 1 0 0 0 0 0999 V2000 10.1469 5.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9473 1.2496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5309 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 2.2002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 2.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 2.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 3.5631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 4.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 2.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -4.5551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -5.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7868 4.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 4.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 -0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 -0.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 2.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 3.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 2.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6505 1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 3.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 2.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -3.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 2.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6075 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6549 3.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5942 3.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3761 4.0104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9794 4.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0784 5.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 5.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6931 4.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7536 5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 72 1 0 0 0 0 26 2 1 1 0 0 0 2 73 1 0 0 0 0 27 3 1 6 0 0 0 3 74 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 6 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 15 1 6 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 2 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 1 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 M END $$$$ D00510 -OEChem-05072121532D 87 90 0 1 0 0 0 0 0999 V2000 8.8671 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4548 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2149 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2330 -0.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 -2.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 -1.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 1.7368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8691 0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 1.3865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 3.1186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -2.6089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1646 1.7760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 0.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 0.5205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8671 1.3865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3671 2.2526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 -0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4059 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4548 -1.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4059 0.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1285 -1.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9375 -1.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8510 -1.2076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2149 0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9556 -0.2131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1465 0.3747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2511 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 0.5205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0571 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 2.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 2.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5856 -0.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8933 -1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 0.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 -0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 0.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3711 -1.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5571 3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4871 3.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7862 -1.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1771 1.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4867 0.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8109 0.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0204 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 0.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5607 -2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1011 1.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6326 1.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 -2.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2666 -2.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2264 -1.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3707 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 2.1012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2294 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 1.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 0 0 0 26 1 1 6 0 0 0 21 2 1 6 0 0 0 30 2 1 6 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 27 4 1 1 0 0 0 32 4 1 1 0 0 0 23 5 1 6 0 0 0 5 66 1 0 0 0 0 6 30 1 0 0 0 0 6 36 1 0 0 0 0 7 32 1 0 0 0 0 7 40 1 0 0 0 0 28 8 1 1 0 0 0 8 71 1 0 0 0 0 33 9 1 1 0 0 0 9 80 1 0 0 0 0 35 10 1 6 0 0 0 10 81 1 0 0 0 0 37 11 1 6 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 84 1 0 0 0 0 39 13 1 1 0 0 0 13 83 1 0 0 0 0 14 41 1 0 0 0 0 14 87 1 0 0 0 0 22 15 1 1 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 24 16 1 1 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 31 17 1 6 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 34 18 1 1 0 0 0 18 78 1 0 0 0 0 18 79 1 0 0 0 0 19 42 1 0 0 0 0 19 85 1 0 0 0 0 19 86 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 38 1 6 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 35 1 0 0 0 0 33 57 1 0 0 0 0 34 37 1 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 36 41 1 1 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 65 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 42 1 1 0 0 0 40 70 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$ D00511 -OEChem-05072121532D 44 47 0 1 0 0 0 0 0999 V2000 2.8660 -3.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 0.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 6 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 1 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ D00512 -OEChem-05072121532D 54 57 0 0 0 0 0 0 0999 V2000 3.7320 2.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -2.9597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -1.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6404 -0.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2437 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4618 -0.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9441 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 7 47 1 0 0 0 0 8 19 2 0 0 0 0 8 28 1 0 0 0 0 9 28 2 0 0 0 0 9 31 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$ D00513 -OEChem-05072121532D 50 51 0 1 0 0 0 0 0999 V2000 7.1962 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4806 0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0472 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3036 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5528 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0347 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -0.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 6 0 0 0 2 50 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$ D00514 -OEChem-05072121532D 20 19 0 1 0 0 0 0 0999 V2000 2.5369 -0.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9030 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 6 4 1 1 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 M END $$$$ D00515 -OEChem-05252109482D 42 44 0 1 0 0 0 0 0999 V2000 9.6813 0.4604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 -2.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 -2.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 -0.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 -0.8486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 0.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 0.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2691 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -1.1576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7220 0.1555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7220 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 2.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 0.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 -0.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 0.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 -1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 -1.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5128 -3.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 2.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 35 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 12 8 1 1 0 0 0 8 17 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 6 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$ D00516 -OEChem-05072121532D 53 54 0 1 0 0 0 0 0999 V2000 10.3312 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 1 18 2 0 0 0 0 1 19 2 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 2 20 2 0 0 0 0 2 21 2 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 3 22 2 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 24 2 0 0 0 0 4 25 2 0 0 0 0 26 5 1 1 0 0 0 29 5 1 6 0 0 0 6 29 1 0 0 0 0 6 35 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 27 8 1 6 0 0 0 28 9 1 1 0 0 0 30 10 1 6 0 0 0 31 11 1 1 0 0 0 32 12 1 1 0 0 0 12 48 1 0 0 0 0 34 13 1 6 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 26 36 1 0 0 0 0 27 31 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 38 1 0 0 0 0 29 39 1 0 0 0 0 30 32 1 0 0 0 0 30 40 1 0 0 0 0 31 34 1 0 0 0 0 31 41 1 0 0 0 0 32 35 1 0 0 0 0 32 42 1 0 0 0 0 33 43 1 0 0 0 0 33 44 1 0 0 0 0 34 45 1 0 0 0 0 35 46 1 0 0 0 0 35 47 1 0 0 0 0 M END $$$$ D00517 -OEChem-05072121532D 38 39 0 0 0 0 0 0 0999 V2000 8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7744 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 2 0 0 0 0 3 19 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END $$$$ D00518 -OEChem-05072121532D 35 35 0 0 0 0 0 0 0999 V2000 7.7513 -0.0255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.3857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7545 0.5654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 1.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 0.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 -0.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 -0.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0146 -0.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7088 -0.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 0.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7545 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0635 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5456 0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3116 -0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0058 -1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7855 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3901 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 -1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -0.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1695 0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0105 1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9601 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 M END $$$$ D00519 -OEChem-05072121532D 42 45 0 0 0 0 0 0 0999 V2000 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 25 2 0 0 0 0 4 27 3 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 18 2 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 24 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$ D00520 -OEChem-05072121532D 58 59 0 1 0 0 0 0 0999 V2000 6.6284 1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 4.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 2.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -2.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 2.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -0.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 3.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3930 2.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3392 4.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 3.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5270 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 0.7925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0035 0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.9024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6464 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 4.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 1.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 4.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0882 4.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 2.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 4.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 3.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 1.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 -1.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 -2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -1.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -4.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 -3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -3.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 -4.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -4.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 18 7 1 1 0 0 0 20 7 1 6 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 6 0 0 0 9 13 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 1 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END $$$$ D00521 -OEChem-05072121532D 53 56 0 0 0 0 0 0 0999 V2000 10.7263 -2.2685 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2927 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 -2.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 -4.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -2.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.2899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -1.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -4.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -4.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -4.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -4.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 50 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$ D00522 -OEChem-05072121532D 27 28 0 0 0 0 0 0 0999 V2000 6.3301 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 2 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 M END $$$$ D00523 -OEChem-05072121532D 31 32 0 1 0 0 0 0 0999 V2000 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 1 0 0 0 3 15 1 0 0 0 0 4 8 1 6 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 M END $$$$ D00524 -OEChem-05072121532D 22 22 0 0 0 0 0 0 0999 V2000 3.7320 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$ D00525 -OEChem-05072121532D 29 30 0 0 0 0 0 0 0999 V2000 5.4641 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$ D00526 -OEChem-05072121532D 43 44 0 1 0 0 0 0 0999 V2000 6.3301 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$ D00527 -OEChem-05072121532D 26 26 0 0 0 0 0 0 0999 V2000 4.5981 1.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 1.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 2 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ D00528 -OEChem-05072121532D 25 25 0 1 0 0 0 0 0999 V2000 2.8660 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 1 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ D00529 -OEChem-05072121532D 31 33 0 0 0 0 0 0 0999 V2000 4.2451 2.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 1.8161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 1.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -2.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -0.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 1.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -0.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -3.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END $$$$ D00530 -OEChem-05072121532D 31 32 0 1 0 0 0 0 0999 V2000 5.0032 -1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -2.5252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 0.9160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.5252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.1773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6942 -0.7651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9519 1.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 0.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 -0.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -0.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 0.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -1.5400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -1.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0130 2.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5685 1.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8842 -0.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 -0.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 0.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 1 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 11 13 2 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ D00531 -OEChem-05072121532D 65 67 0 0 0 0 0 0 0999 V2000 2.8660 4.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 49 1 0 0 0 0 18 21 2 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 23 27 1 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END $$$$ D00532 -OEChem-05072121532D 63 67 0 0 0 0 0 0 0999 V2000 10.8600 -1.1963 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4312 5.5830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -4.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.5326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.9936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 3.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 2.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 3.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 -0.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1206 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 1.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 2.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 1.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 1.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -5.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 1.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9391 -0.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1095 0.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 4.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0210 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3951 4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 50 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 52 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 26 2 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 25 56 1 0 0 0 0 26 30 1 0 0 0 0 26 57 1 0 0 0 0 27 31 2 0 0 0 0 27 58 1 0 0 0 0 28 32 2 0 0 0 0 28 59 1 0 0 0 0 29 33 2 0 0 0 0 29 60 1 0 0 0 0 30 34 2 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 M END $$$$ D00533 -OEChem-05072121532D 38 39 0 1 0 0 0 0 0999 V2000 5.4641 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9470 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 34 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 M END $$$$ D00534 -OEChem-05072121532D 45 47 0 1 0 0 0 0 0999 V2000 8.1097 3.2088 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 5.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 3.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 4.8180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 3.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 4.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 10 2 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 37 1 0 0 0 0 6 18 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$ D00535 -OEChem-05072121532D 16 16 0 0 0 0 0 0 0999 V2000 2.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ D00536 -OEChem-05072121532D 25 26 0 0 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 9 2 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ D00537 -OEChem-05072121532D 36 38 0 1 0 0 0 0 0999 V2000 4.6660 -2.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 16 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$ D00538 -OEChem-05072121532D 55 58 0 1 0 0 0 0 0999 V2000 4.6660 3.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8981 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9061 -2.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -2.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5586 -1.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 -3.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -3.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9807 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5058 -1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 -1.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 -1.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 18 2 1 1 0 0 0 2 53 1 0 0 0 0 22 3 1 1 0 0 0 3 54 1 0 0 0 0 4 31 1 0 0 0 0 4 55 1 0 0 0 0 5 31 2 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 29 2 0 0 0 0 26 48 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$ D00539 -OEChem-05072121532D 217218 0 1 0 0 0 0 0999 V2000 7.7331 -2.2965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2965 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7035 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3609 -5.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5281 -4.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6972 -3.4304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2181 -3.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1579 0.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1862 -3.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9931 -6.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5828 3.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5854 -5.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1968 1.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5407 1.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7179 1.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2956 4.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5937 3.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4804 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0578 6.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 -4.7133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0757 -4.1769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5735 -1.7662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.7965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8199 0.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.7965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2989 2.2738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8349 1.6883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8935 -5.2688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1822 3.6580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6501 4.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1711 7.8980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.7965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -6.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2556 -4.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3083 -5.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.7965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 -5.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.7965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5795 -0.7959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7923 -3.5226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2085 -4.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5709 -0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3805 -4.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7060 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1994 -6.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3609 -6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3044 -2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5614 -4.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3218 0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1800 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3640 -0.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.2965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8797 -5.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1114 1.6330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.7035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5470 -4.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.2035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2495 2.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 2.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8193 -5.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.2035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9483 3.0152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2572 2.2638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7746 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8880 3.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3175 2.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3559 4.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5898 5.2855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6540 2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7635 6.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9974 6.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -6.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -7.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -6.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -7.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 -5.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6891 -5.8267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8406 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 -5.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6458 -3.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0445 -1.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0493 -5.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -3.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4043 -3.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3334 -0.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 -8.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -8.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -6.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.4865 0.0000 H 0 0 0 0 0 0 0 0 0 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15.4972 -5.7457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5046 -5.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 1.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3629 3.7557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5780 3.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5296 3.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1054 2.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5996 3.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5756 -7.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3044 1.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1149 5.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3461 6.0583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0735 6.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -1.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1752 5.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5425 4.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0687 2.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6961 8.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7537 8.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 68 1 0 0 0 0 2 91 1 0 0 0 0 3 4 1 0 0 0 0 3 78 1 0 0 0 0 4 92 1 0 0 0 0 5 55 2 0 0 0 0 6 59 2 0 0 0 0 7 63 2 0 0 0 0 8 64 2 0 0 0 0 9 69 2 0 0 0 0 10 71 2 0 0 0 0 11 76 2 0 0 0 0 12 80 2 0 0 0 0 13 90 1 0 0 0 0 13206 1 0 0 0 0 14 83 2 0 0 0 0 15 86 2 0 0 0 0 16 90 2 0 0 0 0 17 94 2 0 0 0 0 18 95 2 0 0 0 0 100 19 1 6 0 0 0 19207 1 0 0 0 0 20102 1 0 0 0 0 20209 1 0 0 0 0 21101 2 0 0 0 0 22102 2 0 0 0 0 23103 2 0 0 0 0 24104 2 0 0 0 0 25108 1 0 0 0 0 25212 1 0 0 0 0 26108 2 0 0 0 0 27109 2 0 0 0 0 28111 1 0 0 0 0 28215 1 0 0 0 0 29111 2 0 0 0 0 30113 2 0 0 0 0 31 49 1 0 0 0 0 31 64 1 0 0 0 0 31121 1 0 0 0 0 32 52 1 0 0 0 0 32 63 1 0 0 0 0 32124 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33125 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34134 1 0 0 0 0 35 57 1 0 0 0 0 35 69 1 0 0 0 0 35145 1 0 0 0 0 36 56 1 0 0 0 0 36 76 1 0 0 0 0 36148 1 0 0 0 0 37 71 1 0 0 0 0 37 77 1 0 0 0 0 37159 1 0 0 0 0 74 38 1 6 0 0 0 38 83 1 0 0 0 0 38163 1 0 0 0 0 39 81 1 0 0 0 0 39 86 1 0 0 0 0 39175 1 0 0 0 0 79 40 1 1 0 0 0 40101 1 0 0 0 0 40180 1 0 0 0 0 84 41 1 6 0 0 0 41 94 1 0 0 0 0 41182 1 0 0 0 0 42 93 1 0 0 0 0 42 95 1 0 0 0 0 42191 1 0 0 0 0 43 87 1 0 0 0 0 43104 1 0 0 0 0 43194 1 0 0 0 0 44 80 1 0 0 0 0 44195 1 0 0 0 0 44196 1 0 0 0 0 45103 1 0 0 0 0 45105 1 0 0 0 0 45201 1 0 0 0 0 99 46 1 1 0 0 0 46109 1 0 0 0 0 46205 1 0 0 0 0 110 47 1 1 0 0 0 47213 1 0 0 0 0 47214 1 0 0 0 0 48113 1 0 0 0 0 48216 1 0 0 0 0 48217 1 0 0 0 0 49 50 1 1 0 0 0 49 55 1 0 0 0 0 49114 1 0 0 0 0 50 51 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 51 61 1 0 0 0 0 51 62 1 0 0 0 0 51117 1 0 0 0 0 52 53 1 6 0 0 0 52 59 1 0 0 0 0 52118 1 0 0 0 0 53 66 1 0 0 0 0 53 67 1 0 0 0 0 53119 1 0 0 0 0 54 63 1 0 0 0 0 54 68 1 0 0 0 0 54120 1 1 0 0 0 56 64 1 0 0 0 0 56 65 1 1 0 0 0 56122 1 0 0 0 0 57 60 1 6 0 0 0 57 71 1 0 0 0 0 57123 1 0 0 0 0 58 69 1 0 0 0 0 58 70 1 6 0 0 0 58126 1 0 0 0 0 60 72 1 0 0 0 0 60 73 1 0 0 0 0 60127 1 0 0 0 0 61128 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 62131 1 0 0 0 0 62132 1 0 0 0 0 62133 1 0 0 0 0 65 75 1 0 0 0 0 65135 1 0 0 0 0 65136 1 0 0 0 0 66137 1 0 0 0 0 66138 1 0 0 0 0 66139 1 0 0 0 0 67140 1 0 0 0 0 67141 1 0 0 0 0 67142 1 0 0 0 0 68143 1 0 0 0 0 68144 1 0 0 0 0 70 80 1 0 0 0 0 70146 1 0 0 0 0 70147 1 0 0 0 0 72149 1 0 0 0 0 72150 1 0 0 0 0 72151 1 0 0 0 0 73152 1 0 0 0 0 73153 1 0 0 0 0 73154 1 0 0 0 0 74 76 1 0 0 0 0 74 78 1 0 0 0 0 74155 1 0 0 0 0 75 90 1 0 0 0 0 75156 1 0 0 0 0 75157 1 0 0 0 0 77 86 1 0 0 0 0 77 89 1 6 0 0 0 77158 1 0 0 0 0 78160 1 0 0 0 0 78161 1 0 0 0 0 79 83 1 0 0 0 0 79 88 1 0 0 0 0 79162 1 0 0 0 0 81 92 1 0 0 0 0 81 95 1 0 0 0 0 81166 1 6 0 0 0 82 84 1 0 0 0 0 82 85 1 0 0 0 0 82164 1 0 0 0 0 82165 1 0 0 0 0 84102 1 0 0 0 0 84167 1 0 0 0 0 85 97 1 0 0 0 0 85 98 1 0 0 0 0 85168 1 0 0 0 0 87 91 1 0 0 0 0 87 94 1 1 0 0 0 87169 1 0 0 0 0 88 96 1 0 0 0 0 88170 1 0 0 0 0 88171 1 0 0 0 0 89172 1 0 0 0 0 89173 1 0 0 0 0 89174 1 0 0 0 0 91176 1 0 0 0 0 91177 1 0 0 0 0 92178 1 0 0 0 0 92179 1 0 0 0 0 93100 1 0 0 0 0 93103 1 0 0 0 0 93181 1 6 0 0 0 96108 1 0 0 0 0 96183 1 0 0 0 0 96184 1 0 0 0 0 97185 1 0 0 0 0 97186 1 0 0 0 0 97187 1 0 0 0 0 98188 1 0 0 0 0 98189 1 0 0 0 0 98190 1 0 0 0 0 99101 1 0 0 0 0 99106 1 0 0 0 0 99192 1 0 0 0 0 100107 1 0 0 0 0 100193 1 0 0 0 0 104105 1 0 0 0 0 105197 1 0 0 0 0 105198 1 0 0 0 0 106111 1 0 0 0 0 106199 1 0 0 0 0 106200 1 0 0 0 0 107202 1 0 0 0 0 107203 1 0 0 0 0 107204 1 0 0 0 0 109110 1 0 0 0 0 110112 1 0 0 0 0 110208 1 0 0 0 0 112113 1 0 0 0 0 112210 1 0 0 0 0 112211 1 0 0 0 0 M END $$$$ D00540 -OEChem-05072121532D 31 33 0 1 0 0 0 0 0999 V2000 6.2619 -2.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.2774 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 0.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 0.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 7 17 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$ D00541 -OEChem-05072121532D 66 70 0 0 0 0 0 0 0999 V2000 11.7175 -3.8557 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 -5.1169 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8164 -4.4770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -0.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7705 -1.9335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1061 -0.4449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 -1.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 4.9216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7490 -2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4598 -0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 -1.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1276 -0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 -2.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -3.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 -3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 -1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1671 -2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 -4.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 0.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2996 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 4.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5177 -2.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2753 -2.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0772 -0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7994 -1.8833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9637 -1.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3589 0.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6013 0.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8714 -3.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6290 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2355 -0.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1881 0.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3125 0.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2275 -1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0637 -3.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6423 -0.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 -2.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 0.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -1.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 0.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 0.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -0.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 4.1169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 24 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 7 56 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 34 2 0 0 0 0 9 36 1 0 0 0 0 10 39 2 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 53 1 0 0 0 0 20 22 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 35 3 0 0 0 0 33 35 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 36 63 1 0 0 0 0 37 38 2 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 M END $$$$ D00542 -OEChem-05072121532D 93 99 0 1 0 0 0 0 0999 V2000 3.4403 -3.4055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -6.4055 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -1.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6403 -0.1673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6300 5.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8721 4.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.0454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.0509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4446 1.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 1.6868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4599 3.8739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1509 2.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7689 2.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -2.4055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1724 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 -1.4545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6724 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -2.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 -1.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -3.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -5.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 0.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 2.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 0.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7993 1.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0477 4.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0409 1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5056 2.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0422 4.5784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1998 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6410 5.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9919 1.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4599 3.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4490 3.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2288 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1075 -3.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 -2.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 -0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -3.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -3.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -1.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -1.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -3.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -5.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -5.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -2.8197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 0.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 -0.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 2.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 2.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 0.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 2.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 -1.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 1.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 -0.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8793 2.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 4.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 0.7202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 3.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7900 5.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2103 6.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1270 5.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4527 1.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5856 3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 1.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8826 3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7011 3.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0154 3.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7303 6.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5932 6.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7272 6.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2466 5.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 4 27 1 0 0 0 0 43 5 1 1 0 0 0 5 93 1 0 0 0 0 6 48 2 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 8 36 2 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 33 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 39 1 0 0 0 0 11 26 2 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 48 1 0 0 0 0 13 44 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 49 2 0 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 1 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 61 1 0 0 0 0 24 28 2 0 0 0 0 24 62 1 0 0 0 0 25 28 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 37 1 0 0 0 0 34 73 1 0 0 0 0 35 38 2 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 39 41 2 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 1 0 0 0 40 78 1 0 0 0 0 41 46 1 0 0 0 0 41 79 1 0 0 0 0 42 47 2 0 0 0 0 42 80 1 0 0 0 0 43 50 1 0 0 0 0 43 81 1 0 0 0 0 44 46 2 0 0 0 0 44 47 1 0 0 0 0 45 51 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 47 85 1 0 0 0 0 49 86 1 0 0 0 0 50 87 1 0 0 0 0 50 88 1 0 0 0 0 50 89 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 M END $$$$ D00543 -OEChem-05072121532D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ D00544 -OEChem-05072121532D 21 17 0 0 0 0 0 0 0999 V2000 3.0981 2.2990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ D00545 -OEChem-05072121532D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ D00546 -OEChem-05072121532D 31 32 0 1 0 0 0 0 0999 V2000 8.1424 0.4947 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 -0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0360 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 5 2 1 6 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 13 2 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$ D00547 -OEChem-05072121532D 46 49 0 1 0 0 0 0 0999 V2000 8.1424 -1.6217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -2.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 1.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 2.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 2.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5718 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0467 1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 -1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 25 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$ D00548 -OEChem-05072121532D 66 67 0 1 0 0 0 0 0999 V2000 3.7320 1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -2.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -4.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -4.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4920 2.0025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 2.0371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3981 2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4804 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 4.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -0.5074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1893 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 -2.0173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0379 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 2.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 2.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 1.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 0.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 1.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 2.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -0.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -1.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -0.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 -1.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6472 -2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 -1.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2988 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 23 1 0 0 0 0 15 2 1 6 0 0 0 2 51 1 0 0 0 0 21 3 1 6 0 0 0 3 54 1 0 0 0 0 4 23 2 0 0 0 0 24 5 1 6 0 0 0 5 62 1 0 0 0 0 6 30 1 0 0 0 0 6 66 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 6 0 0 0 11 34 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END $$$$ D00549 -OEChem-05072121532D 47 50 0 1 0 0 0 0 0999 V2000 4.6077 1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3856 -2.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 0.2327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7359 0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.7568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1179 1.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9100 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0159 2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2727 0.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 -0.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7786 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 1.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2722 1.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -1.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -0.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 0.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 0.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -1.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7354 -1.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 -1.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8571 -0.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2589 -1.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7857 -1.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 -1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 -0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 2.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4433 0.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0136 2.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4561 2.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 M END $$$$ D00550 -OEChem-05072121532D 49 52 0 0 0 0 0 0 0999 V2000 10.7282 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5078 1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6769 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9291 -0.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7935 1.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 17 1 0 0 0 0 2 26 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 14 2 0 0 0 0 7 16 1 0 0 0 0 8 14 1 0 0 0 0 8 19 2 0 0 0 0 9 19 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$ D00551 -OEChem-05072121532D 54 57 0 1 0 0 0 0 0999 V2000 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 48 1 0 0 0 0 13 2 1 1 0 0 0 2 49 1 0 0 0 0 3 20 2 0 0 0 0 4 24 1 0 0 0 0 4 54 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 28 1 1 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 6 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 M END $$$$ D00552 -OEChem-05072121532D 52 55 0 1 0 0 0 0 0999 V2000 8.0319 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.3938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.8938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.3938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.9007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.0312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.6062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.3225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 47 1 0 0 0 0 2 16 2 0 0 0 0 3 20 2 0 0 0 0 4 24 1 0 0 0 0 4 52 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 6 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 1 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 29 1 6 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$ D00553 -OEChem-05072121532D 28 27 0 1 0 0 0 0 0999 V2000 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 28 1 0 0 0 0 2 11 2 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END $$$$ D00554 -OEChem-05072121532D 40 41 0 1 0 0 0 0 0999 V2000 3.4030 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.0253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 3.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 3.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 2.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 1.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 10 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 11 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 M END $$$$ D00555 -OEChem-05072121542D 30 31 0 0 0 0 0 0 0999 V2000 2.0000 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ D00557 -OEChem-05072121542D 38 38 0 0 0 0 0 0 0999 V2000 3.7320 1.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 4.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 19 1 0 0 0 0 4 38 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 M END $$$$ D00558 -OEChem-05072121542D 35 35 0 0 0 0 0 0 0999 V2000 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 31 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 7 15 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 M END $$$$ D00559 -OEChem-05072121542D 49 52 0 0 0 0 0 0 0999 V2000 9.8602 -1.2085 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 M END $$$$ D00560 -OEChem-05072121542D 53 56 0 1 0 0 0 0 0999 V2000 7.9821 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.5493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -0.9507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.9575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7563 1.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2351 2.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5006 2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 6 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 1 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 1 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 6 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 1 0 0 0 8 13 1 0 0 0 0 8 19 1 1 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 21 2 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END $$$$ D00561 -OEChem-05072121542D 40 42 0 1 0 0 0 0 0999 V2000 4.6660 -2.4827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 -0.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 3.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 13 2 0 0 0 0 7 10 1 0 0 0 0 7 14 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$ D00562 -OEChem-05072121542D 52 53 0 1 0 0 0 0 0999 V2000 8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 41 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 18 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 22 2 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 47 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 M END $$$$ D00563 -OEChem-05072121542D 57 59 0 0 0 0 0 0 0999 V2000 5.5321 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3981 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3981 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5741 3.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 4.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 4.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 3.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 1.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 1.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 2.8234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 3.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 3.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 49 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 21 51 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 23 27 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 M CHG 1 4 1 M END $$$$ D00564 -OEChem-05072121542D 54 55 0 1 0 0 0 0 0999 V2000 3.7057 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -1.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7057 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7057 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 0.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9737 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4115 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8191 1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3512 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -0.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2837 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0157 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3957 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -0.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3441 1.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8261 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8664 2.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1074 1.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7843 1.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2814 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 1.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 6 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 5 26 1 0 0 0 0 6 10 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 34 1 0 0 0 0 12 19 2 0 0 0 0 12 35 1 0 0 0 0 13 20 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 22 1 0 0 0 0 16 42 1 0 0 0 0 17 23 2 0 0 0 0 17 43 1 0 0 0 0 18 21 2 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 M END $$$$ D00565 -OEChem-05072121542D 40 41 0 1 0 0 0 0 0999 V2000 5.4641 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7673 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END $$$$ D00566 -OEChem-05072121542D 21 21 0 0 0 0 0 0 0999 V2000 7.1962 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END $$$$ D00567 -OEChem-05072121542D 41 43 0 0 0 0 0 0 0999 V2000 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 0.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -1.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 21 1 0 0 0 0 3 6 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 10 2 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 13 1 0 0 0 0 8 15 2 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END $$$$ D00568 -OEChem-05072121542D 27 27 0 1 0 0 0 0 0999 V2000 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 6 0 0 0 1 21 1 0 0 0 0 3 2 1 1 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 M END $$$$ D00569 -OEChem-05072121542D 28 29 0 0 0 0 0 0 0999 V2000 6.4347 -1.3933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2437 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3726 0.6144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 -2.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$ D00570 -OEChem-05072121542D 14 14 0 0 0 0 0 0 0999 V2000 3.4030 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 M END $$$$ D00571 -OEChem-05072121542D 26 26 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M CHG 1 3 1 M END $$$$ D00572 -OEChem-05072121542D 23 23 0 0 0 0 0 0 0999 V2000 2.5369 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ D00573 -OEChem-05072121542D 30 31 0 0 0 0 0 0 0999 V2000 4.2690 3.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -1.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 14 2 0 0 0 0 3 10 2 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$ D00574 -OEChem-05072121542D 36 38 0 0 0 0 0 0 0999 V2000 7.3517 1.0048 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -4.0289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -3.3681 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.7786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8169 1.6936 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 -1.1428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 0.8816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6876 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 1.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 -2.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 -0.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -1.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 1.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 -3.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 2.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 3.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6178 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5734 4.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 -2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5088 -2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 0.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -0.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -1.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 1.6353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0234 -0.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 2.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8989 3.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 4.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7113 4.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 25 2 0 0 0 0 24 35 1 0 0 0 0 25 36 1 0 0 0 0 M END $$$$ D00575 -OEChem-05072121542D 52 55 0 0 0 0 0 0 0999 V2000 4.8830 -5.1737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7769 2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 4.9014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 -0.2802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -2.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -2.9831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -2.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 -3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -4.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 -3.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -4.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -5.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3403 3.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -5.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -3.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -5.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9064 4.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -4.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -5.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 -0.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -1.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 -2.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -2.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 -0.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 1.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1441 0.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6547 1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7142 1.8090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -6.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.7413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 3.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -3.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -5.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -2.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -6.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 4.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 3.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 -3.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -5.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2007 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 52 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 24 2 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 25 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$ D00576 -OEChem-05072121542D 62 64 0 1 0 0 0 0 0999 V2000 7.2641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 3.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2221 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6162 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 1 0 0 0 0 2 52 1 0 0 0 0 3 16 2 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 24 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 13 7 1 1 0 0 0 15 7 1 6 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 1 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 39 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END $$$$ D00577 -OEChem-05072121542D 48 51 0 1 0 0 0 0 0999 V2000 5.5320 0.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 1.4507 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 -3.2650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8217 1.9507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 0.2350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2300 -0.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2110 1.3986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1923 3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 2.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1507 1.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9167 1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -3.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5578 2.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0484 0.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 -0.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8256 -0.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2200 2.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 3.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 3.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3462 0.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0320 3.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 2.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 2.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8091 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4993 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -1.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -3.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -3.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.0454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 38 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 18 2 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 6 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END $$$$ D00578 -OEChem-05072121542D 46 48 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$ D00579 -OEChem-05072121542D 61 65 0 0 0 0 0 0 0999 V2000 5.5443 -4.6342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -3.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 3.5484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 3.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4692 4.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4262 4.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 5.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 5.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 2.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -3.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 0.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -3.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -4.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -4.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -3.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 3.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 3.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 4.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 4.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8088 5.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 5.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 5.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 5.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5271 6.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2795 2.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 2.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 1.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 2.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 -0.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 0.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -2.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 -0.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -2.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -5.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -2.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -5.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -4.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 20 2 0 0 0 0 4 29 1 0 0 0 0 4 60 1 0 0 0 0 5 34 1 0 0 0 0 5 61 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 25 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 M END $$$$ D00580 -OEChem-05072121542D 53 55 0 0 0 0 0 0 0999 V2000 8.5991 4.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 -2.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7036 -3.8933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6818 -4.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 -1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 -3.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1763 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 -1.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -0.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -2.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0380 -3.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2411 -3.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7929 -3.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1115 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 2 46 1 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 6 22 2 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 9 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 28 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 47 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 32 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D00581 -OEChem-05072121542D 40 42 0 1 0 0 0 0 0999 V2000 2.5836 3.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -2.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -1.3828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6051 1.0563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3958 2.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 0.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9989 1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 0.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 2.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -0.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 4.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 -3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 -4.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0058 1.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 0.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 0.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 1.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3643 2.3619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 1.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 1.6565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 3.8381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -1.1264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7948 -0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 3.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 2.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 4.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -1.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -2.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -3.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 -4.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7261 -4.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 -3.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 1 0 0 0 4 20 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 M END $$$$ D00582 -OEChem-05072121542D 62 64 0 1 0 0 0 0 0999 V2000 8.5891 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3897 4.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3897 2.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 -2.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8689 -1.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 2.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 -0.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.8599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3509 2.8599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3020 4.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 4.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 2.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8897 3.3599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8211 3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 0.8567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9637 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5817 -0.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6036 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 -3.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 -4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 4.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 2.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 4.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 4.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 4.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 4.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8673 2.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 1.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1712 2.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 3.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 2.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 0.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8573 -0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0926 1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0097 4.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 -0.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 -0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 -0.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7022 -1.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -1.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 -2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9123 -3.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 -3.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 -2.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 0.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4007 -3.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 -4.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3222 -4.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 17 7 1 1 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 6 0 0 0 9 12 1 0 0 0 0 9 32 1 6 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 1 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END $$$$ D00583 -OEChem-05072121542D 43 43 0 0 0 0 0 0 0999 V2000 8.0337 -0.7098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1590 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 -0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.3705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9912 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7996 -1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5808 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$ D00584 -OEChem-05072121542D 64 66 0 1 0 0 0 0 0999 V2000 7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 47 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 23 1 0 0 0 0 4 31 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 48 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 23 1 0 0 0 0 18 26 2 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 27 2 0 0 0 0 21 49 1 0 0 0 0 22 27 1 0 0 0 0 22 50 1 0 0 0 0 23 28 2 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 M END $$$$ D00585 -OEChem-05072121542D 26 27 0 1 0 0 0 0 0999 V2000 4.9889 0.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2619 -1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5888 2.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -2.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -2.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -0.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 3 0 0 0 0 13 26 1 0 0 0 0 M END $$$$ D00586 -OEChem-05072121542D 48 50 0 0 0 0 0 0 0999 V2000 2.0000 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 25 2 0 0 0 0 8 32 2 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 9 36 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 10 38 1 0 0 0 0 11 29 2 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 45 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 30 43 1 0 0 0 0 31 44 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 M END $$$$ D00587 -OEChem-05072121542D 69 71 0 1 0 0 0 0 0999 V2000 7.1962 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 28 1 0 0 0 0 2 32 1 0 0 0 0 3 31 1 0 0 0 0 3 69 1 0 0 0 0 4 31 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 12 6 1 6 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 2 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 27 29 2 0 0 0 0 27 62 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END $$$$ D00588 -OEChem-05072121542D 84 89 0 1 0 0 0 0 0999 V2000 10.9540 -2.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 -0.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2094 -2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7071 1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3102 1.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6031 -2.0776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9356 -0.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 2.1163 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1621 0.9988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 0.1532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9668 0.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2526 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 -0.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9460 1.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6372 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0314 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 -1.1175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3746 -0.3112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9679 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 3.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9114 -1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0198 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3114 -0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6650 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6440 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 -1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9566 -0.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9975 2.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9368 -2.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6018 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6937 -0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5282 1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 0.7459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2503 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 2.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0451 1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 -0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 3.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5602 3.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1611 0.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 -2.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 -2.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 -1.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 3.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 -2.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 -3.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8984 -1.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4712 1.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 3.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 2.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5865 2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8037 2.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4086 2.0696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4745 -2.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5237 -3.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3991 -3.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0642 -0.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0149 0.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1395 0.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 28 1 0 0 0 0 20 2 1 1 0 0 0 2 30 1 0 0 0 0 3 25 1 0 0 0 0 3 34 1 0 0 0 0 4 25 2 0 0 0 0 5 30 2 0 0 0 0 6 33 1 0 0 0 0 6 40 1 0 0 0 0 7 38 1 0 0 0 0 7 42 1 0 0 0 0 8 39 1 0 0 0 0 8 43 1 0 0 0 0 9 41 1 0 0 0 0 9 44 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 27 1 0 0 0 0 11 61 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 45 1 6 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 6 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 1 0 0 0 15 49 1 0 0 0 0 16 21 1 0 0 0 0 16 50 1 1 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 2 0 0 0 0 29 65 1 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 37 38 2 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 39 41 2 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 40 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 M END $$$$ D00589 -OEChem-05072121542D 29 30 0 1 0 0 0 0 0999 V2000 5.0298 -1.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -3.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -3.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 2.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 0.6634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 1.6145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 3.3370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -2.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -1.5122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 -2.4632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 -0.9244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -3.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 2.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -2.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -0.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -3.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -3.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -3.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2663 3.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 3.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 11 2 1 1 0 0 0 2 24 1 0 0 0 0 10 3 1 1 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 13 6 1 6 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 6 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ D00590 -OEChem-05072121542D 123128 0 1 0 0 0 0 0999 V2000 4.0058 -2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 -3.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 2.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 -3.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9737 -3.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2113 1.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1155 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7133 -2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 -2.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 3.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 0.4148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -0.3899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 1.2196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 1.9823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0834 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5834 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5834 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 -0.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6133 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0986 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6133 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3558 -0.2635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4793 -0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 0.0715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5368 -1.2470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2327 1.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7566 1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 -1.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3453 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4793 1.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4632 -1.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8002 1.8784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3453 0.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 -2.7980 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3612 -2.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 1.7987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1049 -3.2644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3423 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6902 -2.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2553 -0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 2.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 2.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2633 -1.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3595 -1.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 -3.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6057 0.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3715 -4.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 2.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1313 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1318 -3.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 -2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7356 2.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 2.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -4.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 3.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9288 3.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -3.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1214 4.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 1.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4758 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -0.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 1.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6911 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 -0.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 0.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0986 -0.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 -0.2049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -0.5285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9469 -1.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 0.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 1.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7756 -1.3543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3981 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 -1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 -0.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9239 -2.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0134 1.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 2.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 1.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 0.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 1.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7979 2.7692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 2.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 2.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 1.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 -2.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9791 -1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -1.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8352 -2.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9943 0.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 0.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2171 0.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7740 -4.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5369 -4.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9691 -4.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 3.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 3.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8233 -2.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6694 -2.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4392 -1.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -4.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2113 2.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6560 -0.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6275 1.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -4.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6692 -5.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9629 -4.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5918 3.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4664 -3.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 -3.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7277 4.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2512 5.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 4.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 1 54 1 0 0 0 0 2 38 1 0 0 0 0 2 40 1 0 0 0 0 26 3 1 6 0 0 0 3 97 1 0 0 0 0 34 4 1 1 0 0 0 4106 1 0 0 0 0 5 40 1 0 0 0 0 5 53 1 0 0 0 0 37 6 1 6 0 0 0 6 57 1 0 0 0 0 7 35 1 0 0 0 0 7111 1 0 0 0 0 8 43 1 0 0 0 0 8112 1 0 0 0 0 9 42 2 0 0 0 0 10 54 2 0 0 0 0 11 55 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 70 1 0 0 0 0 14 16 1 0 0 0 0 14 23 2 0 0 0 0 15 32 2 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 20 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 23 1 0 0 0 0 21 25 2 0 0 0 0 22 29 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 32 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 1 0 0 0 24 73 1 0 0 0 0 25 31 1 0 0 0 0 25 33 1 0 0 0 0 26 28 1 0 0 0 0 26 74 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 28 34 1 0 0 0 0 28 41 1 6 0 0 0 28 76 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 77 1 0 0 0 0 30 37 1 0 0 0 0 30 47 1 6 0 0 0 30 78 1 0 0 0 0 31 35 2 0 0 0 0 31 43 1 0 0 0 0 32 35 1 0 0 0 0 33 38 2 0 0 0 0 33 42 1 0 0 0 0 34 39 1 0 0 0 0 34 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 48 1 0 0 0 0 37 83 1 0 0 0 0 38 46 1 0 0 0 0 39 49 1 6 0 0 0 39 51 1 0 0 0 0 39 84 1 0 0 0 0 40 42 1 0 0 0 0 40 50 1 1 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 43 46 2 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 52 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 53 2 0 0 0 0 48 98 1 0 0 0 0 49 99 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 50102 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51 56 2 0 0 0 0 51105 1 0 0 0 0 52107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 53110 1 0 0 0 0 54 60 1 0 0 0 0 55 58 1 0 0 0 0 56 59 1 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 58 59 2 0 0 0 0 58 61 1 0 0 0 0 59117 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 60120 1 0 0 0 0 61121 1 0 0 0 0 61122 1 0 0 0 0 61123 1 0 0 0 0 M END $$$$ D00591 -OEChem-05072121542D 117121 0 1 0 0 0 0 0999 V2000 7.3026 -2.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2817 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7547 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6384 -2.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1516 3.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0433 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4032 3.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 1.7723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 0.9814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 0.2903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5876 1.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 1.3270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3676 -0.7973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3863 -0.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0251 -1.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5562 -0.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0063 -1.3581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6241 0.5654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5375 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8364 -1.9157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7940 1.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2324 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9226 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6656 0.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7344 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5645 -2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1702 -3.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 -0.2204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8867 -4.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1516 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2856 1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 3.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3200 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2856 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0177 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1516 2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 2.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8254 3.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 -0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5789 4.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9243 -0.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7295 -1.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6793 -2.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0891 -0.8399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 -0.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1669 0.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 0.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 -0.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6357 -2.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 0.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1709 -1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 -0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6743 -0.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -2.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 0.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 0.2931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7765 -0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 0.2909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 2.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 -2.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3267 2.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 -3.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9695 -4.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7568 -3.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 -4.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0587 -4.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 -4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1703 -1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9216 -0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4697 0.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 -0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 -0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 2.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 2.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1937 2.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4206 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5737 3.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2335 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 -0.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9983 1.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 1.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 1.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9336 0.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0460 4.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1712 4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6886 4.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 0.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 -0.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6526 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 4.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 1 31 1 0 0 0 0 18 2 1 6 0 0 0 2 77 1 0 0 0 0 22 3 1 6 0 0 0 3 82 1 0 0 0 0 24 4 1 6 0 0 0 4 34 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 38 2 0 0 0 0 9 45 1 0 0 0 0 9112 1 0 0 0 0 10 46 1 0 0 0 0 10116 1 0 0 0 0 11 47 1 0 0 0 0 11117 1 0 0 0 0 12 56 2 0 0 0 0 13 16 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 14 59 1 0 0 0 0 15 50 1 0 0 0 0 15 56 1 0 0 0 0 15107 1 0 0 0 0 16 57 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 1 0 0 0 17 60 1 0 0 0 0 18 20 1 0 0 0 0 18 61 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 6 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 6 0 0 0 21 64 1 0 0 0 0 22 25 1 0 0 0 0 22 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 29 1 0 0 0 0 24 69 1 0 0 0 0 25 28 1 1 0 0 0 25 30 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 32 2 0 0 0 0 29 81 1 0 0 0 0 30 33 2 0 0 0 0 30 83 1 0 0 0 0 31 36 1 0 0 0 0 32 84 1 0 0 0 0 33 41 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 38 1 0 0 0 0 35 42 1 1 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 39 44 1 0 0 0 0 40 43 1 0 0 0 0 40 46 2 0 0 0 0 41 48 2 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 45 1 0 0 0 0 43 47 2 0 0 0 0 44 45 2 0 0 0 0 44 51 1 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 48 56 1 0 0 0 0 48 58 1 0 0 0 0 49 50 2 0 0 0 0 49 57 1 0 0 0 0 51100 1 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 52 54 1 0 0 0 0 52 96 1 0 0 0 0 52 97 1 0 0 0 0 53 55 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 54103 1 0 0 0 0 54104 1 0 0 0 0 55105 1 0 0 0 0 55106 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 59113 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 M END $$$$ D00592 -OEChem-05072121542D 127132 0 1 0 0 0 0 0999 V2000 9.0820 -2.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5586 -1.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6459 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8985 -1.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3715 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5266 -3.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6601 0.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2883 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 3.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7685 3.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 1.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 0.2822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 0.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 1.3190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 1.9272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -1.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7857 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 -1.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 -0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 1.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9844 -0.8053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0031 -0.9980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2622 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 1.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -1.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1730 -0.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6232 -1.3662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2409 0.5573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1543 -0.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -1.9238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4108 1.1150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8492 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5395 -0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5244 -3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2383 0.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1813 -2.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 1.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3767 2.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9664 -0.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5920 -3.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9024 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7685 0.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0085 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9644 -4.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 2.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9777 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6345 1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9024 2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0085 2.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6345 2.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4445 3.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7685 2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9368 -0.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3744 2.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5005 2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1957 4.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 0.5523 0.0000 H 0 0 0 0 0 0 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0 0 0 0 0 0 6.7838 0.2578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6397 0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8086 -0.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0640 -2.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 0.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2626 -1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6484 -1.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 -1.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7878 -1.5338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1076 -0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2912 -0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9018 -2.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 1.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 0.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4018 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3933 -0.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6298 0.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 2.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5504 0.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2321 -2.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9436 2.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -3.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1786 -3.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7928 -2.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4077 -4.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2373 -4.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5212 -3.9120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 4.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7871 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5385 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0865 0.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5699 1.4264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8105 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0374 3.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1905 3.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2694 0.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5605 4.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6034 3.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 4.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 4.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3054 4.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 1 0 0 0 1 40 1 0 0 0 0 25 2 1 6 0 0 0 2 98 1 0 0 0 0 31 3 1 6 0 0 0 3103 1 0 0 0 0 33 4 1 6 0 0 0 4 46 1 0 0 0 0 5 42 1 0 0 0 0 5 45 1 0 0 0 0 6 45 1 0 0 0 0 6 53 1 0 0 0 0 7 40 2 0 0 0 0 8 49 1 0 0 0 0 8122 1 0 0 0 0 9 52 2 0 0 0 0 10 55 1 0 0 0 0 10123 1 0 0 0 0 11 58 1 0 0 0 0 11127 1 0 0 0 0 12 61 2 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 41 2 0 0 0 0 16 51 1 0 0 0 0 16 61 1 0 0 0 0 16118 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 64 1 0 0 0 0 18 20 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 21 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 21 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 26 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 27 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 1 0 0 0 24 77 1 0 0 0 0 25 29 1 0 0 0 0 25 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 30 1 0 0 0 0 28 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0 0 60 63 1 0 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 62121 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 63126 1 0 0 0 0 M END $$$$ D00593 -OEChem-05072121542D 108113 0 1 0 0 0 0 0999 V2000 3.8932 -0.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 -3.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9635 -2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 3.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 2.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3072 1.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2307 2.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 -1.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 -1.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9827 -1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 1.3796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4843 2.1038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -0.5622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9469 -1.3778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5966 -2.5259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2600 0.1717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8470 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1.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1728 -2.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2159 3.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7477 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2982 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3747 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 -0.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6240 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6291 1.2860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9008 2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7911 2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1552 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4901 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3789 3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7252 -1.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 -2.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 0.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -3.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5605 -2.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 -0.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -0.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 -0.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 2.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 -3.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 -3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -4.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4031 -4.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5012 1.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 2.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -3.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5239 -3.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7509 -4.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 -4.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 1.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5004 -2.3359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -1.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0185 3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -3.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 3.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 4.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5226 4.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6527 -1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 -2.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -2.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 3.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5536 3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 2.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1610 -3.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 -1.1516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 -0.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 -0.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3857 -0.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8812 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6487 3.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2108 -1.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7718 1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6782 -1.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1801 -0.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 -1.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8773 4.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7433 4.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8805 3.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 29 1 0 0 0 0 16 2 1 1 0 0 0 2 75 1 0 0 0 0 20 3 1 1 0 0 0 3 80 1 0 0 0 0 22 4 1 1 0 0 0 4 37 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 29 2 0 0 0 0 8 36 2 0 0 0 0 9 44 1 0 0 0 0 9100 1 0 0 0 0 10 46 1 0 0 0 0 10102 1 0 0 0 0 11 52 2 0 0 0 0 12 41 1 0 0 0 0 12 48 1 0 0 0 0 12 51 1 0 0 0 0 13 39 1 0 0 0 0 13 48 2 0 0 0 0 14 45 1 0 0 0 0 14 52 1 0 0 0 0 14 97 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 1 0 0 0 15 58 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 0 0 0 0 17 19 1 0 0 0 0 17 60 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 1 0 0 0 18 61 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 6 0 0 0 19 62 1 0 0 0 0 20 23 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 27 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 6 0 0 0 23 28 1 0 0 0 0 23 68 1 0 0 0 0 24 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 31 2 0 0 0 0 27 79 1 0 0 0 0 28 34 2 0 0 0 0 28 81 1 0 0 0 0 29 40 1 0 0 0 0 30 36 1 0 0 0 0 30 43 1 1 0 0 0 31 82 1 0 0 0 0 32 33 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 47 1 0 0 0 0 34 83 1 0 0 0 0 35 42 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 44 1 0 0 0 0 38 46 1 0 0 0 0 39 41 2 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 45 1 0 0 0 0 42 44 2 0 0 0 0 42 49 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 45 46 2 0 0 0 0 47 50 2 0 0 0 0 47 93 1 0 0 0 0 48 53 1 0 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 50 52 1 0 0 0 0 50 56 1 0 0 0 0 51 55 2 0 0 0 0 51 98 1 0 0 0 0 53 54 2 0 0 0 0 53 99 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 0 0 0 0 55101 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 M END $$$$ D00594 -OEChem-05072121542D 46 48 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 1 31 1 0 0 0 0 2 15 2 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 40 1 0 0 0 0 4 18 2 0 0 0 0 4 20 1 0 0 0 0 5 27 3 0 0 0 0 6 28 3 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 16 23 2 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 27 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 M END $$$$ D00595 -OEChem-05072121542D 20 21 0 0 0 0 0 0 0999 V2000 7.2764 0.6217 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.9877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 -0.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 0.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 M END $$$$ D00596 -OEChem-05072121542D 34 36 0 1 0 0 0 0 0999 V2000 4.5390 1.6201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.1201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8070 1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -1.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -0.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -2.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -0.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -0.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -2.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -2.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -1.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -2.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.7401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 1.9301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 1.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 2.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 1.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ D00597 -OEChem-05072121542D 50 53 0 0 0 0 0 0 0999 V2000 5.6103 -5.4440 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 4.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7642 4.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.7877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.1738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 0.7119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.8191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.3305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 2.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -3.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -4.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -3.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -4.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -3.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -4.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 3.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2528 5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -3.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -4.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 -5.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -2.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 -4.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0273 2.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5061 3.1532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7716 3.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 1.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 2.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 3.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8595 5.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1249 6.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6461 5.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 30 2 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 25 2 0 0 0 0 7 17 1 0 0 0 0 7 23 2 0 0 0 0 8 17 2 0 0 0 0 8 24 1 0 0 0 0 9 19 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 23 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 20 35 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 22 36 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$ D00598 -OEChem-05072121542D 28 28 0 0 0 0 0 0 0999 V2000 4.7690 1.3471 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7132 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 2.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 2.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -2.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 0.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -0.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 2.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -3.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$ D00599 -OEChem-05072121542D 57 61 0 0 0 0 0 0 0999 V2000 14.5715 -0.1446 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.8031 -2.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.8316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 -2.1571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.3316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 -0.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9467 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2823 -1.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9252 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5930 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 0.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 -0.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -0.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 -0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 0.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 2.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 2.8361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 2.8453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5326 0.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7081 1.7947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0881 2.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6964 -1.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1178 0.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 6 1 0 0 0 0 2 25 1 0 0 0 0 3 23 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 14 2 0 0 0 0 7 20 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 23 1 0 0 0 0 16 24 2 0 0 0 0 17 25 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$ D00600 -OEChem-05072121542D 98101 0 1 0 0 0 0 0999 V2000 12.6090 0.0476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -1.3433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 1.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -2.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6308 0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 1.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6913 0.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5102 1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -2.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7201 1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1701 -0.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1897 -0.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0557 -0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1929 0.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0766 1.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7624 2.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9438 2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -3.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -2.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 43 1 0 0 0 0 2 50 1 0 0 0 0 16 3 1 1 0 0 0 3 64 1 0 0 0 0 4 22 2 0 0 0 0 5 29 1 0 0 0 0 5 41 1 0 0 0 0 6 29 2 0 0 0 0 7 32 2 0 0 0 0 14 8 1 6 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 17 9 1 1 0 0 0 9 29 1 0 0 0 0 9 63 1 0 0 0 0 20 10 1 6 0 0 0 10 32 1 0 0 0 0 10 65 1 0 0 0 0 11 32 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 42 1 0 0 0 0 12 44 2 0 0 0 0 13 49 1 0 0 0 0 13 50 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 18 23 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 61 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 62 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 33 1 0 0 0 0 27 72 1 0 0 0 0 28 34 2 0 0 0 0 28 73 1 0 0 0 0 30 35 1 0 0 0 0 30 74 1 0 0 0 0 31 36 2 0 0 0 0 31 75 1 0 0 0 0 33 37 2 0 0 0 0 33 76 1 0 0 0 0 34 37 1 0 0 0 0 34 77 1 0 0 0 0 35 38 2 0 0 0 0 35 78 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 39 42 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 43 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 45 2 0 0 0 0 43 49 2 0 0 0 0 44 46 1 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 89 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 48 96 1 0 0 0 0 49 97 1 0 0 0 0 50 98 1 0 0 0 0 M END $$$$ D00601 -OEChem-05072121542D 47 50 0 1 0 0 0 0 0999 V2000 3.3625 6.7856 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 5.0644 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -6.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 -0.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 -4.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -0.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.4758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.7532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4543 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -1.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -5.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -2.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -3.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -3.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -6.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -5.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -6.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 4.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 5.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 5.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 1.3056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 0.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 -0.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 1.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -5.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -4.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -1.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -1.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -3.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -3.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 2.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 -6.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -6.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7868 -6.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -6.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 3.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0209 5.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 22 1 0 0 0 0 4 24 1 0 0 0 0 5 15 2 0 0 0 0 6 23 2 0 0 0 0 7 25 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 M END $$$$ D00602 -OEChem-05072121542D 40 40 0 1 0 0 0 0 0999 V2000 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 5 3 1 6 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D00603 -OEChem-05072121542D 39 41 0 0 0 0 0 0 0999 V2000 7.9930 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.2244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.8336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 0.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6992 1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 2.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 2.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5109 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4635 2.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -2.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 10 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 20 2 0 0 0 0 5 19 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END $$$$ D00604 -OEChem-05072121542D 40 42 0 0 0 0 0 0 0999 V2000 5.5981 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -1.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -2.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 37 1 0 0 0 0 9 25 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$ D00605 -OEChem-05072121542D 61 64 0 1 0 0 0 0 0999 V2000 3.3660 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -2.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6780 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 2.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 1.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8301 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8301 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9179 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8690 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7225 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2475 3.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7225 0.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 0.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1701 0.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 3.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9979 0.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4856 1.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 7 18 1 0 0 0 0 23 7 1 1 0 0 0 8 20 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 44 1 0 0 0 0 11 10 1 1 0 0 0 10 20 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 13 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$ D00606 -OEChem-05072121552D 43 44 0 0 0 0 0 0 0999 V2000 7.9939 -2.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -2.8577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -0.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -0.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -3.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$ D00607 -OEChem-05072121552D 44 46 0 1 0 0 0 0 0999 V2000 6.3776 3.4588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 4.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6344 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5468 5.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8656 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 3.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 4.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 3.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 5.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 4 19 2 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 20 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 22 2 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$ D00608 -OEChem-05072121552D 61 62 0 1 0 0 0 0 0999 V2000 7.1962 -4.6270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -5.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -3.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1270 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -2.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 2.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 -2.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1592 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 -3.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -2.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 -0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1592 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 2.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -5.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -5.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 30 1 0 0 0 0 2 33 1 0 0 0 0 16 3 1 1 0 0 0 3 49 1 0 0 0 0 17 4 1 1 0 0 0 4 50 1 0 0 0 0 7 29 1 0 0 0 0 7 61 1 0 0 0 0 8 29 2 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 11 18 1 0 0 0 0 11 24 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 38 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 2 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ D00609 -OEChem-05072121552D 42 45 0 0 0 0 0 0 0999 V2000 11.6378 -2.2441 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.2071 1.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0363 -1.6863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 1.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -1.2057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2077 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1086 -0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9852 0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5607 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0148 -1.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0096 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6086 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -0.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 0.9037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8709 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 -0.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8094 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9777 -1.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 -0.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5986 1.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4266 0.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7602 -2.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7466 2.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 1.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8776 2.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 -2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4346 -0.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 -2.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5253 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 -1.9179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 0.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 0.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -0.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -1.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0654 -0.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -1.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9346 -1.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 27 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 30 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$ D00610 -OEChem-05072121552D 25 26 0 0 0 0 0 0 0999 V2000 2.0000 -1.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.1192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 2.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3342 3.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4464 2.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 6 13 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 M END $$$$ D00611 -OEChem-05072121552D 41 44 0 1 0 0 0 0 0999 V2000 3.3660 0.8006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 3.1231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 2.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0471 3.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 2.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.6096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3779 4.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 3.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 2.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 2.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 3.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 3.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 4.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0679 4.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 4.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7774 0.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5056 1.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -0.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 23 2 0 0 0 0 4 16 3 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 1 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ D00612 -OEChem-05072121552D 41 42 0 1 0 0 0 0 0999 V2000 2.0000 -5.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 7 4 1 1 0 0 0 4 26 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 14 2 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00613 -OEChem-05072121552D 38 38 0 1 0 0 0 0 0999 V2000 4.2690 1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7220 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 3.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 2.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 3.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.5460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6771 1.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 2.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 33 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 17 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END $$$$ D00614 -OEChem-05072121552D 47 50 0 1 0 0 0 0 0999 V2000 4.3211 -0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5255 2.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.6672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.6286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5045 2.0096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5540 2.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2297 0.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3037 4.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7556 3.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 4.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4173 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -4.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 1.7455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 2.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -0.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8495 0.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 1.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 0.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6656 0.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 4.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4206 4.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 4.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 3.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6218 4.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 4.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6978 2.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9702 3.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 3.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -4.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -4.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 16 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 1 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 6 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 M END $$$$ D00615 -OEChem-05072121552D 99103 0 1 0 0 0 0 0999 V2000 8.9962 2.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.6270 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1301 4.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -4.8730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.8730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 1.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 3.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 -0.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4962 5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4962 3.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7282 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -4.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 3.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 0.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 3.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 0.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 3.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 3.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0427 0.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 3.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 2.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 1.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 1.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 4.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1722 4.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 5.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0331 5.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1862 6.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9592 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9592 3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 3.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0331 4.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 -1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -2.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -1.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -4.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -4.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -5.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -4.7059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 23 2 1 6 0 0 0 2 72 1 0 0 0 0 3 31 2 0 0 0 0 4 39 2 0 0 0 0 5 40 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 69 1 0 0 0 0 24 8 1 6 0 0 0 8 31 1 0 0 0 0 8 73 1 0 0 0 0 32 9 1 6 0 0 0 9 40 1 0 0 0 0 9 90 1 0 0 0 0 10 39 1 0 0 0 0 10 92 1 0 0 0 0 10 93 1 0 0 0 0 11 41 2 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 50 1 6 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 51 1 6 0 0 0 14 18 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 20 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 22 1 1 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 23 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 23 24 1 0 0 0 0 23 67 1 0 0 0 0 24 26 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 32 83 1 0 0 0 0 33 36 1 0 0 0 0 33 84 1 0 0 0 0 34 37 2 0 0 0 0 34 85 1 0 0 0 0 35 39 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 38 2 0 0 0 0 36 88 1 0 0 0 0 37 38 1 0 0 0 0 37 89 1 0 0 0 0 38 91 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 44 2 0 0 0 0 42 94 1 0 0 0 0 43 45 1 0 0 0 0 43 46 2 0 0 0 0 44 45 1 0 0 0 0 44 95 1 0 0 0 0 45 47 2 0 0 0 0 46 48 1 0 0 0 0 46 96 1 0 0 0 0 47 49 1 0 0 0 0 47 97 1 0 0 0 0 48 49 2 0 0 0 0 48 98 1 0 0 0 0 49 99 1 0 0 0 0 M END $$$$ D00616 -OEChem-05072121552D 48 52 0 1 0 0 0 0 0999 V2000 3.6730 2.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8893 -1.0090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 -1.5267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -2.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.1464 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9819 -0.2887 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5092 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 -0.5607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8770 -0.8525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3310 -1.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8761 -0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6239 -2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 -1.9967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8419 -2.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 0.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -0.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 1.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 1.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -0.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -0.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -1.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -1.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 1.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 1.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 0.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 0.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -0.9255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6174 -0.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8324 -0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9915 -2.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4468 -1.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0155 -0.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 -2.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1058 -2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -1.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 -1.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 -1.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 46 1 0 0 0 0 2 21 2 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 16 4 1 1 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 23 3 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 6 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 6 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 1 1 0 0 0 22 45 1 0 0 0 0 M END $$$$ D00617 -OEChem-05072121552D 35 35 0 1 0 0 0 0 0999 V2000 2.2680 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 1.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 2.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 3.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$ D00618 -OEChem-05072121552D 31 31 0 1 0 0 0 0 0999 V2000 3.7320 0.6900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 12 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 3 0 0 0 0 14 31 1 0 0 0 0 M END $$$$ D00619 -OEChem-05072121552D 67 69 0 1 0 0 0 0 0999 V2000 10.6603 -4.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6602 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 35 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 28 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 19 2 0 0 0 0 8 18 1 0 0 0 0 8 20 2 0 0 0 0 9 28 1 0 0 0 0 9 64 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 29 1 0 0 0 0 24 54 1 0 0 0 0 25 30 2 0 0 0 0 25 55 1 0 0 0 0 26 31 1 0 0 0 0 26 56 1 0 0 0 0 27 32 2 0 0 0 0 27 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END $$$$ D00620 -OEChem-05072121552D 37 39 0 1 0 0 0 0 0999 V2000 2.0000 -2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 6 3 1 6 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 6 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 13 30 1 0 0 0 0 14 19 2 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 M END $$$$ D00621 -OEChem-05072121552D 21 20 0 1 0 0 0 0 0999 V2000 0.9169 2.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 0.8660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7830 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3446 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 1.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 0.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 4.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 4.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 M END $$$$ D00622 -OEChem-05072121552D 63 66 0 0 0 0 0 0 0999 V2000 5.4641 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 0.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2063 1.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 1.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 0.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9162 0.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5095 0.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 -2.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1097 -3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 -2.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7956 1.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3989 2.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6170 2.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 4 21 1 0 0 0 0 4 32 1 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 10 22 2 0 0 0 0 10 24 1 0 0 0 0 11 26 2 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END $$$$ D00623 -OEChem-05072121552D 99105 0 1 0 0 0 0 0999 V2000 3.9245 -1.6647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 1.7595 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5369 -0.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 0.8365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -2.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 -1.1044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 5.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -3.1044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9093 -1.4911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7002 -2.6044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6363 3.4346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7241 3.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 -2.6044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3701 -3.1044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3698 -2.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9682 -1.6044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3701 -4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -1.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -1.1044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9682 -2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2312 -0.9373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 -0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2361 -4.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7002 -1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9682 -4.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8342 -4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 -3.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6363 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6363 3.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1363 2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0948 2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 4.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0878 4.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1363 2.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6394 5.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6751 3.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6751 2.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4841 3.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5912 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3796 4.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -3.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -1.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -1.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 -3.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 -1.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 -4.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9937 -1.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5212 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -0.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8657 -1.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -2.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4837 -3.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6973 -0.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2415 -0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6241 0.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9737 0.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 -5.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5007 -3.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7036 -3.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 -5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6222 -2.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 -3.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0463 -4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4448 -3.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2563 -3.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1032 -3.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8763 -2.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 1.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7910 2.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 3.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 4.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 5.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1061 5.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1767 1.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9857 4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5936 5.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 5.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 4.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1455 2.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9641 2.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6499 3.8160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9962 4.7157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3148 5.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7630 4.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 45 1 0 0 0 0 2 48 1 0 0 0 0 3 18 2 0 0 0 0 28 4 1 1 0 0 0 4 35 1 0 0 0 0 5 23 2 0 0 0 0 8 30 2 0 0 0 0 9 44 1 0 0 0 0 9 50 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 0 0 0 0 10 56 1 0 0 0 0 11 18 1 0 0 0 0 11 67 1 0 0 0 0 12 30 1 0 0 0 0 12 33 1 0 0 0 0 12 36 1 0 0 0 0 13 39 1 0 0 0 0 13 40 2 0 0 0 0 14 45 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 6 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 53 1 1 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 57 1 1 0 0 0 20 29 2 0 0 0 0 20 58 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 22 60 1 6 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 38 83 1 0 0 0 0 39 42 1 0 0 0 0 40 45 1 0 0 0 0 41 43 2 0 0 0 0 41 84 1 0 0 0 0 42 44 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 89 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 52 97 1 0 0 0 0 52 98 1 0 0 0 0 52 99 1 0 0 0 0 M END $$$$ D00624 -OEChem-05072121552D 31 29 0 0 0 0 0 0 0999 V2000 4.0010 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 5.3059 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 5.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 4.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 5 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 M END $$$$ D00625 -OEChem-05072121552D 68 70 0 1 0 0 0 0 0999 V2000 3.8660 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3232 -1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -2.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -3.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6260 1.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5321 2.0340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7320 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8660 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1340 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -2.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 -2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 2.4741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 1.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5285 1.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -0.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 -0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0678 3.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6188 4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9319 1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7082 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0035 -0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 4.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 3.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -0.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 -2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0359 -3.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8329 -3.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -2.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -1.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7008 -3.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -1.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 23 3 1 6 0 0 0 3 65 1 0 0 0 0 4 22 2 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 31 1 6 0 0 0 7 9 1 0 0 0 0 7 11 1 6 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 6 0 0 0 9 34 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 19 15 1 1 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 27 30 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END $$$$ D00626 -OEChem-05072121552D 42 44 0 0 0 0 0 0 0999 V2000 5.3830 3.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4199 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 12 2 0 0 0 0 5 11 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$ D00627 -OEChem-05072121552D 144147 0 1 0 0 0 0 0999 V2000 6.7839 -2.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 -3.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 2.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6916 -0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 1.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0194 1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 -1.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8113 0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 0.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -1.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 1.9883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 -0.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6499 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3819 -1.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6499 -2.1784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3820 -2.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 -2.6783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8732 1.0877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2151 2.0274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8883 0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5512 0.0064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9453 2.4883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6774 -0.5117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5434 -2.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4329 -0.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4289 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 3.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 1.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 2.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 3.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 3.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7839 -3.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 0.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1880 0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 2.7686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8113 -2.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2583 3.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.1954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9453 -3.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 0.4883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6980 -0.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -1.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0171 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2133 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -1.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8831 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -2.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -2.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 0.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 -0.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0393 -1.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9925 -1.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5939 -0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 0.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8566 0.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6499 -2.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5940 -2.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9925 -2.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0528 -2.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6611 0.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8663 1.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7806 1.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2777 0.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 0.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 2.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1481 0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2092 2.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9641 -2.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0433 -0.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6442 0.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6357 -2.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0402 -1.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7333 4.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3347 3.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8894 1.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 2.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 4.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4128 4.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 3.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8894 4.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2788 -2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0759 -2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 -3.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7839 -4.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -3.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6660 0.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5829 1.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 1.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 3.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 -1.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2144 0.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8572 3.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 4.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 3.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 1.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3253 -3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -4.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 -3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 0.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -1.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1381 1.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9100 -0.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1154 -0.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4859 -1.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2072 3.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 3.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 2.5892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -1.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2133 -3.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 -0.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -2.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -2.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -2.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -1.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0782 -2.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7912 -1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0181 -0.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1712 0.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -3.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 -0.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 -0.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1118 0.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 38 1 0 0 0 0 21 2 1 1 0 0 0 2 85 1 0 0 0 0 3 23 1 0 0 0 0 3 33 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 28 5 1 6 0 0 0 5110 1 0 0 0 0 6 33 2 0 0 0 0 7 34 2 0 0 0 0 8 40 2 0 0 0 0 44 9 1 1 0 0 0 9 53 1 0 0 0 0 10 41 2 0 0 0 0 49 11 1 6 0 0 0 11131 1 0 0 0 0 52 12 1 1 0 0 0 12 65 1 0 0 0 0 13 56 2 0 0 0 0 14 27 1 0 0 0 0 14 35 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 6 0 0 0 15 66 1 0 0 0 0 16 19 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 20 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 22 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 21 1 0 0 0 0 19 73 1 0 0 0 0 20 21 1 0 0 0 0 20 74 1 0 0 0 0 20 75 1 0 0 0 0 21 76 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 1 0 0 0 22 77 1 0 0 0 0 23 25 1 0 0 0 0 23 78 1 1 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 34 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 42 1 6 0 0 0 26 84 1 0 0 0 0 27 32 1 0 0 0 0 27 33 1 0 0 0 0 27 86 1 1 0 0 0 28 40 1 0 0 0 0 29 31 1 0 0 0 0 29 39 1 0 0 0 0 29 87 1 6 0 0 0 30 31 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 90 1 0 0 0 0 31 91 1 0 0 0 0 32 36 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 34 43 1 0 0 0 0 35 37 1 0 0 0 0 35 94 1 0 0 0 0 35 95 1 0 0 0 0 36 37 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 37 98 1 0 0 0 0 37 99 1 0 0 0 0 38102 1 0 0 0 0 38103 1 0 0 0 0 38104 1 0 0 0 0 39 44 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40 41 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 42107 1 0 0 0 0 43 45 1 1 0 0 0 43 46 1 0 0 0 0 43108 1 0 0 0 0 44 47 1 0 0 0 0 44109 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 45113 1 0 0 0 0 46 48 2 0 0 0 0 46114 1 0 0 0 0 47 50 1 0 0 0 0 47 51 2 0 0 0 0 48 49 1 0 0 0 0 48 54 1 0 0 0 0 49 52 1 0 0 0 0 49118 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51 57 1 0 0 0 0 51119 1 0 0 0 0 52 56 1 0 0 0 0 52120 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 54124 1 0 0 0 0 54125 1 0 0 0 0 54126 1 0 0 0 0 55 56 1 0 0 0 0 55 58 1 0 0 0 0 55 60 1 1 0 0 0 55127 1 0 0 0 0 57 61 2 0 0 0 0 57128 1 0 0 0 0 58 59 1 0 0 0 0 58129 1 0 0 0 0 58130 1 0 0 0 0 59 62 1 0 0 0 0 59 63 1 6 0 0 0 59132 1 0 0 0 0 60133 1 0 0 0 0 60134 1 0 0 0 0 60135 1 0 0 0 0 61 64 1 0 0 0 0 61136 1 0 0 0 0 62 64 2 0 0 0 0 62137 1 0 0 0 0 63138 1 0 0 0 0 63139 1 0 0 0 0 63140 1 0 0 0 0 64141 1 0 0 0 0 65142 1 0 0 0 0 65143 1 0 0 0 0 65144 1 0 0 0 0 M END $$$$ D00628 -OEChem-05072121552D 43 45 0 1 0 0 0 0 0999 V2000 12.8677 1.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2278 3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9666 2.4630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 0.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 5 26 1 0 0 0 0 6 28 1 0 0 0 0 7 19 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 18 11 1 6 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$ D00629 -OEChem-05072121552D 6 4 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ D00630 -OEChem-05072121552D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 F 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ D00631 -OEChem-05072121552D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M ISO 1 1 123 M END $$$$ D00632 -OEChem-05252109482D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 I 4 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M ISO 1 1 131 M END $$$$ D00633 -OEChem-05072121552D 24 23 0 0 0 0 0 0 0999 V2000 5.4641 3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 12 2 0 0 0 0 9 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ D00634 -OEChem-05072121552D 65 67 0 1 0 0 0 0 0999 V2000 5.5496 -0.9423 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 9.9798 1.2132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4107 1.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 -0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 3.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -0.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 6.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 -4.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7863 -3.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 3.1100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 4.6100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9619 -1.7514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 1.5222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7198 0.5712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2198 2.1100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7198 0.5712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6166 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 3.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 3.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 4.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2198 5.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3686 -2.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3631 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 -3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -0.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -1.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 -5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 -0.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 -6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6052 -5.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4383 0.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 2.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1074 0.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1181 1.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9810 2.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1150 2.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9611 -0.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6892 -0.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0554 -0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6227 4.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 4.9200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 -1.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 -2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2983 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9797 -2.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 -2.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 -4.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 0.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 -2.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 -2.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4401 -6.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 -6.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 -5.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6701 -4.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9886 -5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 -5.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -1.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 1 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 14 1 0 0 0 0 15 2 1 6 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 16 4 1 6 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 6 21 2 0 0 0 0 7 28 1 0 0 0 0 9 24 2 0 0 0 0 10 27 1 0 0 0 0 10 31 1 0 0 0 0 11 27 2 0 0 0 0 17 12 1 1 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 13 47 1 0 0 0 0 25 14 1 1 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 1 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 54 1 0 0 0 0 32 36 2 0 0 0 0 32 57 1 0 0 0 0 33 36 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 M END $$$$ D00635 -OEChem-05072121552D 48 50 0 0 0 0 0 0 0999 V2000 2.0000 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 17 1 0 0 0 0 5 26 1 0 0 0 0 6 24 2 0 0 0 0 7 31 2 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 8 35 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 38 1 0 0 0 0 10 28 2 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 45 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 25 1 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 31 1 0 0 0 0 29 30 2 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 M END $$$$ D00636 -OEChem-05072121552D 38 38 0 1 0 0 0 0 0999 V2000 5.4641 3.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 3.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 4.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 34 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 23 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 11 24 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 M END $$$$ D00637 -OEChem-05072121552D 117122 0 1 0 0 0 0 0999 V2000 6.3301 -3.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6534 2.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 4.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7398 2.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 2.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7999 4.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8589 6.1952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -0.9940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3587 -0.0933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8124 -0.9940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8683 0.7714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1634 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -1.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5378 1.5062 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3329 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4479 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4418 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3258 1.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6701 3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7404 2.8374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -5.5780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -5.0780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -4.0780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0298 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3900 3.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 4.4742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4800 4.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5434 3.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 3.6508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9365 5.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2689 3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7987 4.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 5.3470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3297 5.3818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 6.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8601 6.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8583 6.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3893 7.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6934 -1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 -1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4726 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7303 -1.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -1.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 -2.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9496 1.7021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7894 -0.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6816 -0.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 2.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6989 3.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1561 1.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1025 3.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -5.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 0.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4663 0.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4701 1.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0071 3.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 4.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 4.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8743 4.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1199 4.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 3.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8581 3.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -3.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6499 3.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5210 5.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2418 6.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1401 3.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8438 3.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -6.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -6.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2595 4.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2872 4.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9488 5.3255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7101 5.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -6.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -7.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -7.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5591 6.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 6.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7705 5.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4075 6.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 6.8120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3127 5.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8368 5.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4779 6.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8799 6.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9367 7.3692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0982 7.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8419 6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 6 0 0 0 26 1 1 1 0 0 0 2 26 1 0 0 0 0 2 33 1 0 0 0 0 3 25 2 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 29 5 1 6 0 0 0 5 43 1 0 0 0 0 30 6 1 6 0 0 0 40 6 1 6 0 0 0 7 28 2 0 0 0 0 31 8 1 6 0 0 0 8 47 1 0 0 0 0 32 9 1 1 0 0 0 9 49 1 0 0 0 0 10 40 1 0 0 0 0 10 46 1 0 0 0 0 45 11 1 1 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 53 1 1 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 13 54 1 6 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 14 55 1 6 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 15 56 1 1 0 0 0 16 18 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 61 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 62 1 0 0 0 0 20 23 2 0 0 0 0 20 63 1 0 0 0 0 21 22 2 0 0 0 0 21 64 1 0 0 0 0 22 65 1 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 68 1 0 0 0 0 27 30 1 0 0 0 0 27 34 1 1 0 0 0 27 69 1 0 0 0 0 29 31 1 0 0 0 0 29 70 1 0 0 0 0 30 35 1 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 33 39 1 6 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 37 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 1 0 0 0 0 36 41 1 1 0 0 0 36 80 1 0 0 0 0 37 38 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 42 1 0 0 0 0 40 88 1 0 0 0 0 41 48 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 45 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 98 1 0 0 0 0 46 50 1 6 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 50109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 51112 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 52115 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 M END $$$$ D00638 -OEChem-05072121552D 61 65 0 1 0 0 0 0 0999 V2000 3.7319 -0.3759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 -2.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 -3.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4213 4.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3682 -1.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5021 -1.3728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5021 -0.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1589 -2.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3682 0.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2342 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3842 1.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2342 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3530 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -3.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2464 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 -4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -3.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3529 2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 2.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -1.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 -0.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 0.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -1.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 -1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 -2.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -0.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 0.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -3.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 0.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 -2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 -2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4606 -1.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 1.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 0.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 0.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5605 1.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 -4.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 2.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5709 3.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 1 28 1 0 0 0 0 9 2 1 1 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 27 2 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 6 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 6 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 28 29 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END $$$$ D00639 -OEChem-05072121552D 28 29 0 1 0 0 0 0 0999 V2000 4.5411 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -3.3799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2320 -1.6573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9230 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 -2.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 0.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -1.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -0.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 -2.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3338 -2.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 -2.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 -3.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 7 5 1 6 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 6 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$ D00640 -OEChem-05072121552D 16 15 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 1 0 0 0 1 13 1 0 0 0 0 8 2 1 6 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ D00641 -OEChem-05072121552D 138118 0 1 0 0 0 0 0999 V2000 12.0070 9.3582 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 10.5249 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 3.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0749 4.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1843 7.1711 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 9.6672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 6.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1660 10.6454 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 10.4050 12.0249 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 11.4050 1.6200 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 7.0749 1.1200 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 4.5749 3.2540 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 14.8785 7.5312 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 5.9610 10.9544 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 4.4768 7.6200 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 9.6821 15.6818 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 9.5390 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 8.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 9.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2332 7.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0710 9.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2149 10.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 11.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 9.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0288 9.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 11.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 10.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1353 6.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4409 1.7540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 9.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0749 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5749 4.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8752 6.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4933 8.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 10.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 8.7162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 6.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 5.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3739 11.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9091 9.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 12.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 12.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 3.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0748 2.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8295 7.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6706 8.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 11.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 11.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6821 16.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 15.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 15.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.1200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8480 8.0711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0390 8.6588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2300 8.0711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6730 5.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6730 4.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8070 4.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9409 4.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4901 6.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2789 8.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 8.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5914 8.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7916 7.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 6.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9786 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6593 8.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1926 7.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9635 11.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9131 12.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4988 10.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7802 9.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 13.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8080 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 13.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0021 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 3.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7649 1.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 2.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2903 7.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9584 6.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1313 8.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0809 8.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 11.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 10.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 12.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 11.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 16.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1451 16.9918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3721 15.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3721 16.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9921 15.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9921 16.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 8.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 29 1 0 0 0 0 1 31 2 0 0 0 0 1 32 2 0 0 0 0 2 22 1 0 0 0 0 2 30 1 0 0 0 0 2 33 2 0 0 0 0 2 34 2 0 0 0 0 3 23 1 0 0 0 0 3 35 1 0 0 0 0 3 39 2 0 0 0 0 3 40 2 0 0 0 0 4 24 1 0 0 0 0 4 36 1 0 0 0 0 4 41 2 0 0 0 0 4 42 2 0 0 0 0 5 25 1 0 0 0 0 5 37 1 0 0 0 0 5 44 2 0 0 0 0 5 45 2 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 6 46 2 0 0 0 0 6 47 2 0 0 0 0 7 27 1 0 0 0 0 7 43 1 0 0 0 0 7 48 2 0 0 0 0 7 49 2 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 8 51 2 0 0 0 0 8 52 2 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 15 43 1 0 0 0 0 16 50 1 0 0 0 0 18 73 1 0 0 0 0 18 76 1 0 0 0 0 73 19 1 6 0 0 0 77 19 1 6 0 0 0 20 77 1 0 0 0 0 20 82 1 0 0 0 0 74 21 1 6 0 0 0 75 22 1 1 0 0 0 78 23 1 6 0 0 0 79 24 1 1 0 0 0 80 25 1 6 0 0 0 26 81 1 0 0 0 0 27 83 1 0 0 0 0 28 84 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 54101 1 0 0 0 0 54102 1 0 0 0 0 55103 1 0 0 0 0 55104 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 59111 1 0 0 0 0 59112 1 0 0 0 0 60113 1 0 0 0 0 60114 1 0 0 0 0 61115 1 0 0 0 0 61116 1 0 0 0 0 62117 1 0 0 0 0 62118 1 0 0 0 0 63119 1 0 0 0 0 63120 1 0 0 0 0 64121 1 0 0 0 0 64122 1 0 0 0 0 65123 1 0 0 0 0 65124 1 0 0 0 0 66125 1 0 0 0 0 66126 1 0 0 0 0 67127 1 0 0 0 0 67128 1 0 0 0 0 68129 1 0 0 0 0 68130 1 0 0 0 0 69131 1 0 0 0 0 69132 1 0 0 0 0 70133 1 0 0 0 0 70134 1 0 0 0 0 71135 1 0 0 0 0 71136 1 0 0 0 0 72137 1 0 0 0 0 72138 1 0 0 0 0 73 74 1 0 0 0 0 73 81 1 0 0 0 0 74 75 1 0 0 0 0 74 85 1 0 0 0 0 75 76 1 0 0 0 0 75 86 1 0 0 0 0 76 83 1 6 0 0 0 76 87 1 0 0 0 0 77 78 1 0 0 0 0 77 88 1 0 0 0 0 78 79 1 0 0 0 0 78 89 1 0 0 0 0 79 80 1 0 0 0 0 79 90 1 0 0 0 0 80 82 1 0 0 0 0 80 91 1 0 0 0 0 81 92 1 0 0 0 0 81 93 1 0 0 0 0 82 84 1 1 0 0 0 82 94 1 0 0 0 0 83 95 1 0 0 0 0 83 96 1 0 0 0 0 84 97 1 0 0 0 0 84 98 1 0 0 0 0 M END $$$$ D00642 -OEChem-05072121552D 27 28 0 0 0 0 0 0 0999 V2000 3.0000 0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 14 2 0 0 0 0 7 16 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 13 2 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$ D00643 -OEChem-05072121552D 42 44 0 0 0 0 0 0 0999 V2000 9.4651 -1.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 -0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 4 22 1 0 0 0 0 4 41 1 0 0 0 0 5 28 1 0 0 0 0 5 42 1 0 0 0 0 6 28 2 0 0 0 0 7 17 1 0 0 0 0 7 31 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 17 1 0 0 0 0 9 26 2 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M END $$$$ D00644 -OEChem-05072121552D 42 44 0 1 0 0 0 0 0999 V2000 3.1836 3.4109 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -2.3216 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -4.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -2.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 3.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -3.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -3.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8514 2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 4.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -3.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -3.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 0.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 -1.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 0.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 2.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 3.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 -4.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0836 4.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 4.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 4.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 3 19 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$ D00645 -OEChem-05072121552D 41 42 0 0 0 0 0 0 0999 V2000 3.7320 -0.6311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 1.7809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 2.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 1.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 0.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 0.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0454 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8486 1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3274 2.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5929 2.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5358 2.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 2.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 2.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END $$$$ D00646 -OEChem-05072121552D 56 58 0 0 0 0 0 0 0999 V2000 2.0000 -1.4372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -2.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2029 2.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 -1.1461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8843 0.8633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.2419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4423 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1807 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8956 3.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7433 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3552 -1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8511 2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5660 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2993 0.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0577 1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 2.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0295 1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 -1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9475 1.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5147 3.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3476 2.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -0.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0749 0.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2808 1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 1.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2058 0.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1020 -1.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -1.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6083 -0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3112 2.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2668 3.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3911 3.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9816 4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1060 4.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 53 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 18 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 14 24 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 25 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 27 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$ D00647 -OEChem-05072121552D 55 59 0 1 0 0 0 0 0999 V2000 2.0000 2.4657 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0458 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 0.9657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.4657 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5443 2.2704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0215 -0.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9628 -0.6733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 0.6636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3186 1.9657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5367 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5367 0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2195 2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2195 0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1952 -0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4680 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5427 -2.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2699 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 -2.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7165 -2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5746 0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0112 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8435 1.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 2.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 3.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 2.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 -0.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 0.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5618 -0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4885 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7781 2.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9505 2.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9094 -0.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8285 -2.1655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4900 -3.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 -2.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -2.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -3.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1943 0.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 1.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 31 2 0 0 0 0 9 32 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 1 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 29 2 0 0 0 0 26 48 1 0 0 0 0 27 30 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$ D00648 -OEChem-05072121552D 126129 0 1 0 0 0 0 0999 V2000 7.6897 -2.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4627 -4.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -3.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6897 -1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3895 -0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2349 4.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2124 -3.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 3.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 -2.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2608 2.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 -1.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 3.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 -1.1097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8237 -2.4934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5675 -3.5091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8120 -3.5091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6897 -4.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5558 -2.4934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9577 -2.9934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0916 -2.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 -1.4934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9168 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 2.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4218 -2.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 3.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2349 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2349 3.7171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1009 3.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1009 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 -0.6097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2256 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3895 0.3903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1216 0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8536 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5029 1.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 0.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9876 0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8536 0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 0.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9577 -0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 1.8903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2556 -1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 -5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -3.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 -0.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 1.3727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2102 -0.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8505 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1009 5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 2.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -1.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 -3.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2024 -3.3956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 -4.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0889 -4.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -3.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 -2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 -0.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3358 -4.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 -5.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4977 -4.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 1.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1568 3.7997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 3.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8364 1.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6334 1.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 4.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6379 2.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3130 1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7115 2.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3855 -0.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -0.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0136 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8974 0.0347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9095 0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6897 -1.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0657 -1.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 2.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 0.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3861 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4642 0.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0657 0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 -1.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 -0.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6477 -0.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 1.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6216 -5.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4945 -5.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5776 -4.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 3.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 -2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 -3.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 -4.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9035 -0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 -0.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 -0.1097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 1.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8116 -0.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 -0.4054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 0.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5039 3.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 -0.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 0.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 4.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6379 5.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 5.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 3.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2287 2.6083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 2.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 1.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 16 2 1 6 0 0 0 2 45 1 0 0 0 0 19 3 1 1 0 0 0 3 46 1 0 0 0 0 18 4 1 6 0 0 0 4 85 1 0 0 0 0 5 33 1 0 0 0 0 5 43 1 0 0 0 0 27 6 1 1 0 0 0 6 55 1 0 0 0 0 7 24 2 0 0 0 0 28 8 1 6 0 0 0 8114 1 0 0 0 0 9 32 2 0 0 0 0 42 10 1 6 0 0 0 10123 1 0 0 0 0 11 43 2 0 0 0 0 12 52 2 0 0 0 0 13 30 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 58 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 6 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 60 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 63 1 0 0 0 0 20 21 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 31 1 0 0 0 0 21 41 1 6 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 1 0 0 0 23 70 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 26 29 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 27 28 1 0 0 0 0 27 75 1 0 0 0 0 28 29 1 0 0 0 0 28 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 34 1 0 0 0 0 30 43 1 0 0 0 0 30 79 1 1 0 0 0 31 44 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 33 37 1 0 0 0 0 33 40 1 1 0 0 0 33 82 1 0 0 0 0 34 38 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 39 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 36 40 2 0 0 0 0 36 88 1 0 0 0 0 37 42 1 0 0 0 0 37 48 1 6 0 0 0 37 89 1 0 0 0 0 38 39 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 50 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 42 47 1 0 0 0 0 42 97 1 0 0 0 0 44 51 2 0 0 0 0 44 53 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 47 52 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 54 1 1 0 0 0 49109 1 0 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 51113 1 0 0 0 0 53115 1 0 0 0 0 53116 1 0 0 0 0 53117 1 0 0 0 0 54 56 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56 57 2 0 0 0 0 56124 1 0 0 0 0 57125 1 0 0 0 0 57126 1 0 0 0 0 M END $$$$ D00649 -OEChem-05072121552D 48 53 0 1 0 0 0 0 0999 V2000 7.0213 -3.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 0.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7995 2.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7226 3.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 -0.8864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.2311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3618 -2.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 -1.8374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2962 -0.1432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6782 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3413 -2.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6837 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -2.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5834 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0281 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8924 1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2451 2.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6947 3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -2.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -0.0143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 -2.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 -2.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 0.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2319 -1.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0629 -0.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9983 0.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -2.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 1.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 0.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 -3.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4412 -3.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4904 -2.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 -2.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 2.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 -0.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3147 3.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7597 3.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 34 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 6 0 0 0 9 11 1 0 0 0 0 9 16 1 1 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 22 2 0 0 0 0 19 25 1 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 37 1 0 0 0 0 21 26 2 0 0 0 0 21 39 1 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$ D00650 -OEChem-05072121552D 57 59 0 0 0 0 0 0 0999 V2000 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 2 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 16 22 2 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 18 24 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$ D00651 -OEChem-05072121552D 56 57 0 1 0 0 0 0 0999 V2000 4.5981 4.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -5.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -5.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -5.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -6.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 6 21 1 0 0 0 0 6 27 1 0 0 0 0 9 7 1 6 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$ D00652 -OEChem-05072121552D 39 39 0 1 0 0 0 0 0999 V2000 2.0000 -2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 39 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 6 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 6 0 0 0 4 17 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 11 15 2 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 M END $$$$ D00653 -OEChem-05072121552D 47 50 0 1 0 0 0 0 0999 V2000 5.0289 -6.0214 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.0490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -5.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2199 -6.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 -5.4336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.9510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 3.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 5.6368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 6.5878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 5.6368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 6.5878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -3.4898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5691 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -4.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 5.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 7.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -4.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -2.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -2.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 -4.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 -3.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 3.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -7.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6535 -6.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 7.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 7.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 7.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 5 19 2 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 27 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 6 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 M END $$$$ D00654 -OEChem-05072121552D 102106 0 1 0 0 0 0 0999 V2000 5.7680 0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -4.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7825 2.2442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 3.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -3.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 -1.7454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 0.7579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -2.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -2.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4005 4.1463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5687 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5298 -2.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4809 -0.9363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5836 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -2.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 -2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0687 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5687 -2.6114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0687 -3.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 1.7089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5687 -4.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -3.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2026 -2.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -4.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 -3.4774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0687 -3.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 1.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0687 -5.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -4.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 2.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -5.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 5.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 2.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4527 5.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 6.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 3.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 3.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5687 -2.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -1.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 -0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -0.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5287 -3.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 -0.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -0.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -0.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -2.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -3.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 -3.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0178 -2.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -1.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -2.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 -2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 0.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8787 -2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8233 1.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -4.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2587 -4.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -4.6534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6247 -4.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 -4.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2447 -3.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5126 -2.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6657 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 -4.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 -3.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 1.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 1.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -4.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5937 -5.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1513 -4.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -3.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 -6.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6763 -6.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5436 -5.6080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5436 -4.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -6.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1513 -6.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 5.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 5.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7438 6.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5879 6.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 6.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6953 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 2.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2587 -2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 4.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8240 2.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3016 3.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 3.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3787 -2.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7587 0.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3787 0.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 31 2 0 0 0 0 4 35 2 0 0 0 0 5 43 2 0 0 0 0 6 45 2 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 22 1 0 0 0 0 8 21 1 0 0 0 0 25 8 1 6 0 0 0 8 62 1 0 0 0 0 23 9 1 1 0 0 0 9 31 1 0 0 0 0 9 63 1 0 0 0 0 30 10 1 1 0 0 0 10 45 1 0 0 0 0 10 95 1 0 0 0 0 11 39 1 0 0 0 0 11 43 1 0 0 0 0 11 96 1 0 0 0 0 12 46 2 0 0 0 0 12 48 1 0 0 0 0 13 47 2 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 50 1 1 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 51 1 1 0 0 0 16 21 1 1 0 0 0 16 52 1 0 0 0 0 17 20 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 32 1 0 0 0 0 25 35 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 32 40 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 36 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 37 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 43 1 0 0 0 0 36 38 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 38 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 88 1 0 0 0 0 40 44 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 42 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47100 1 0 0 0 0 48 49 2 0 0 0 0 48101 1 0 0 0 0 49102 1 0 0 0 0 M END $$$$ D00655 -OEChem-05072121552D 31 32 0 1 0 0 0 0 0999 V2000 4.5411 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 -2.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -2.1664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.6275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9230 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.1664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8198 -2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -2.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2845 -0.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 -0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9907 -3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0277 -2.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 -3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 6 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 2 0 0 0 0 5 16 2 0 0 0 0 9 6 1 1 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 1 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END $$$$ D00656 -OEChem-05072121552D 123127 0 1 0 0 0 0 0999 V2000 6.5393 4.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 0.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 4.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 3.1966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2044 4.0666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 4.2385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9256 1.9856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.0296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5280 4.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9117 2.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8214 1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7528 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5795 3.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.4704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 0.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5580 3.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2259 4.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 3.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9464 4.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6070 3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2774 2.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9701 1.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2552 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6405 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6183 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 2.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 0.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3758 0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3268 2.9532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 3.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.5665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.4926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 1.8009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4906 2.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7312 2.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4571 4.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6995 4.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -5.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3036 2.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8805 5.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3638 1.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4458 3.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4499 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 26 1 0 0 0 0 2 19 1 0 0 0 0 2 41 1 0 0 0 0 24 3 1 6 0 0 0 32 3 1 1 0 0 0 20 4 1 6 0 0 0 4 46 1 0 0 0 0 5 32 1 0 0 0 0 5 43 1 0 0 0 0 6 22 2 0 0 0 0 7 26 2 0 0 0 0 35 8 1 6 0 0 0 8111 1 0 0 0 0 9 37 2 0 0 0 0 10 41 2 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 36 12 1 1 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 48 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 52 2 0 0 0 0 14 53 1 0 0 0 0 15 56 1 0 0 0 0 15 58 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 1 0 0 0 17 19 1 0 0 0 0 17 25 1 6 0 0 0 18 22 1 0 0 0 0 18 28 1 6 0 0 0 18 60 1 0 0 0 0 19 29 1 1 0 0 0 19 61 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 6 0 0 0 21 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 30 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 27 34 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 40 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 37 1 0 0 0 0 30 42 1 1 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 35 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 44 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 36 1 0 0 0 0 35 86 1 0 0 0 0 36 39 1 0 0 0 0 36 87 1 0 0 0 0 37 38 1 0 0 0 0 38 41 1 0 0 0 0 38 45 1 1 0 0 0 38 88 1 0 0 0 0 39 43 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 47 1 1 0 0 0 43 97 1 0 0 0 0 44 48 1 0 0 0 0 44 98 1 0 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 47108 1 0 0 0 0 48109 1 0 0 0 0 48110 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 50115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51 53 2 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 55 57 2 0 0 0 0 55120 1 0 0 0 0 56121 1 0 0 0 0 57 58 1 0 0 0 0 57122 1 0 0 0 0 58123 1 0 0 0 0 M END $$$$ D00657 -OEChem-05072121562D 69 74 0 0 0 0 0 0 0999 V2000 13.8689 -0.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2225 -0.1893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 -0.0637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6192 -1.6732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.2735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 1.1203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9298 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -1.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -1.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9083 1.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7028 -1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -2.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5762 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 2.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7028 -1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 1.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5547 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8439 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5117 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1545 2.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4902 1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1330 2.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8009 2.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2010 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9093 1.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 0.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7854 -0.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0951 -0.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 0.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1202 -1.9465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8104 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1869 -2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -3.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4269 -2.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3836 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8049 2.5050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7028 -2.3545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3228 -1.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7028 -1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -1.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 -1.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5675 -1.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9687 0.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3901 2.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.0735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 2.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7405 3.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9043 0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3256 3.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4075 2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4756 -0.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 69 1 0 0 0 0 2 39 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 25 1 0 0 0 0 6 16 2 0 0 0 0 6 21 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 18 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 45 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 27 1 0 0 0 0 22 51 1 0 0 0 0 23 28 2 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 30 33 1 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 31 35 2 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 39 1 0 0 0 0 35 37 1 0 0 0 0 35 65 1 0 0 0 0 36 38 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END $$$$ D00658 -OEChem-05072121562D 66 69 0 1 0 0 0 0 0999 V2000 8.9282 6.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 1.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0916 2.5055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 3.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1135 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 3.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1537 4.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 3.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1403 1.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4546 0.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 1.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 14 5 1 6 0 0 0 5 29 1 0 0 0 0 6 34 1 0 0 0 0 6 39 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 32 1 0 0 0 0 9 35 2 0 0 0 0 19 10 1 6 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 26 1 0 0 0 0 11 37 2 0 0 0 0 12 29 2 0 0 0 0 12 37 1 0 0 0 0 13 37 1 0 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 34 1 0 0 0 0 19 44 1 0 0 0 0 21 30 2 0 0 0 0 21 45 1 0 0 0 0 22 31 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 33 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 32 36 2 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 54 1 0 0 0 0 38 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 39 40 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END $$$$ D00659 -OEChem-05072121562D 34 36 0 1 0 0 0 0 0999 V2000 8.1647 0.0492 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 -2.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -2.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7439 -0.0740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.9749 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8969 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2083 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3864 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 0.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3874 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3369 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0793 -3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -1.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3514 0.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 1.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7119 2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 3.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 33 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$ D00660 -OEChem-05072121562D 20 21 0 0 0 0 0 0 0999 V2000 3.7320 2.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.2754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.6861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 -2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2475 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 M END $$$$ D00661 -OEChem-05072121562D 62 64 0 1 0 0 0 0 0999 V2000 7.5673 -0.6471 0.0000 P 0 0 2 0 0 0 0 0 0 0 0 0 6.2781 0.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8529 -4.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 -3.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -1.5976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 4.2263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 -2.3420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6353 2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 -2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -3.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2621 -1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1636 -4.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0559 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2126 -0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -5.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1421 -5.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8002 -2.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9569 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7507 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.9987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 0.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8168 -2.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4846 -1.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 1.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 2.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 -1.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 -2.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 -2.7424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 3.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5569 -4.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3405 -0.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0343 -5.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 -6.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 -6.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0142 -5.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 -5.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 -4.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6723 -3.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5462 -1.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2122 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 8 1 6 0 0 0 1 15 1 0 0 0 0 13 2 1 1 0 0 0 2 15 1 0 0 0 0 3 23 1 0 0 0 0 5 22 1 0 0 0 0 5 24 1 0 0 0 0 6 22 2 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 16 8 1 6 0 0 0 8 40 1 0 0 0 0 9 20 2 0 0 0 0 9 21 1 0 0 0 0 10 18 2 0 0 0 0 10 30 1 0 0 0 0 11 25 1 0 0 0 0 11 30 2 0 0 0 0 12 25 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 26 31 1 0 0 0 0 26 49 1 0 0 0 0 27 32 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 M END $$$$ D00662 -OEChem-05072121562D 53 56 0 1 0 0 0 0 0999 V2000 12.5078 1.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6769 0.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 1.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 2.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0788 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 -0.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4853 -0.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2433 -0.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6785 0.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5918 1.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.4268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.6606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 22 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END $$$$ D00663 -OEChem-05072121562D 47 48 0 1 0 0 0 0 0999 V2000 6.3301 0.6657 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.6287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 4.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.3712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -4.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -4.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -3.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -2.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -1.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -2.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 3.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 2 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 3 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 M END $$$$ D00664 -OEChem-05072121562D 35 35 0 1 0 0 0 0 0999 V2000 2.8660 0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.4139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 0.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 1.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 32 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 15 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 33 1 0 0 0 0 M END $$$$ D00665 -OEChem-05072121562D 28 28 0 0 0 0 0 0 0999 V2000 5.1350 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 4 15 2 0 0 0 0 5 17 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 19 3 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$ D00666 -OEChem-05072121562D 49 52 0 1 0 0 0 0 0999 V2000 8.6500 2.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.8575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.6425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.1425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -0.6493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 1.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.7723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -2.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 0.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.0279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -0.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 2.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 49 1 0 0 0 0 2 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 22 1 6 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 1 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 1 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 6 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 M END $$$$ D00667 -OEChem-05072121562D 50 52 0 1 0 0 0 0 0999 V2000 6.4082 2.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2726 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 0.2274 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3142 1.2759 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3062 0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0462 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0424 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -2.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 0.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 1.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5107 -0.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9178 0.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9049 1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 -1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 -1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7854 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 -2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2221 1.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4523 2.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6062 2.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4224 0.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 -0.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 0.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 1.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -2.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 -3.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 -2.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 M END $$$$ D00668 -OEChem-05072121562D 56 59 0 1 0 0 0 0 0999 V2000 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 -1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 -2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 -1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 1 41 1 0 0 0 0 16 2 1 1 0 0 0 2 42 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 4 50 1 0 0 0 0 5 22 1 0 0 0 0 5 51 1 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 56 1 0 0 0 0 8 30 2 0 0 0 0 15 9 1 6 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 6 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D00669 -OEChem-05072121562D 29 31 0 1 0 0 0 0 0999 V2000 6.2619 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 15 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$ D00670 -OEChem-05072121562D 21 22 0 0 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 13 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$ D00671 -OEChem-05072121562D 16 17 0 0 0 0 0 0 0999 V2000 4.2690 1.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 0.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.9947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2738 1.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 14 1 0 0 0 0 M END $$$$ D00672 -OEChem-05072121562D 51 54 0 1 0 0 0 0 0999 V2000 4.6660 -3.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.2085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 1.7673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2673 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6660 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -1.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7562 -2.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6022 -2.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3720 -1.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 2 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$ D00673 -OEChem-05072121562D 50 52 0 1 0 0 0 0 0999 V2000 8.1097 -1.7923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 -3.4734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 -0.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -3.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 -0.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -4.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 0.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 -0.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -2.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -2.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -3.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 -1.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 40 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 6 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 25 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 M END $$$$ D00674 -OEChem-05072121562D 64 68 0 1 0 0 0 0 0999 V2000 3.7320 1.0078 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -6.3582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -7.3582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 4.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 1.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 3.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3159 6.7682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -3.3582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5981 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 1.7630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5386 2.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0006 2.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5898 3.3811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5403 3.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0981 -4.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9528 5.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -5.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -5.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -6.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6455 6.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -3.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 -2.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 -1.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 -2.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9745 1.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0915 2.3509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 2.9888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5392 2.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9776 3.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4444 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -4.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -4.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9134 1.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9163 3.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 4.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5008 5.3648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -6.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 6.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0976 5.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1253 7.3582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 29 1 0 0 0 0 3 32 1 0 0 0 0 20 4 1 6 0 0 0 4 28 1 0 0 0 0 18 5 1 1 0 0 0 5 50 1 0 0 0 0 21 6 1 1 0 0 0 6 51 1 0 0 0 0 7 33 1 0 0 0 0 7 59 1 0 0 0 0 15 8 1 1 0 0 0 8 23 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 17 9 1 6 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 11 25 1 0 0 0 0 12 23 1 0 0 0 0 12 31 2 0 0 0 0 13 24 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 6 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 2 0 0 0 0 27 49 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END $$$$ D00675 -OEChem-05072121562D 31 33 0 1 0 0 0 0 0999 V2000 2.8660 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 M END $$$$ D00676 -OEChem-05072121562D 26 26 0 0 0 0 0 0 0999 V2000 2.8660 -3.4050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 2.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 1.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 2 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 M END $$$$ D00677 -OEChem-05072121562D 45 46 0 1 0 0 0 0 0999 V2000 2.3660 -1.8332 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 0.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 -1.2934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.8822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.8332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 -0.9332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 -2.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4268 -1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0885 -2.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -1.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 -0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 -1.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3545 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8595 -0.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0859 -3.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9615 -3.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9156 -2.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8416 -0.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 -0.8045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6278 -2.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6737 -3.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5493 -3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 -1.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 -1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1179 0.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 11 4 1 1 0 0 0 4 45 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ D00678 -OEChem-05072121562D 29 29 0 0 0 0 0 0 0999 V2000 3.6372 -1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.5094 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6372 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 0.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -0.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 -0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 0.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -2.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 -3.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 3.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 2.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$ D00679 -OEChem-05072121562D 19 18 0 1 0 0 0 0 0999 V2000 7.7331 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 2 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ D00680 -OEChem-05072121562D 59 62 0 0 0 0 0 0 0999 V2000 8.1962 -1.2085 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 -2.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 -0.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.7052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3062 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6203 -1.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4663 -1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 -0.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6764 0.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 0.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4364 0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 24 2 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END $$$$ D00681 -OEChem-05072121562D 48 52 0 1 0 0 0 0 0999 V2000 10.7889 -0.3868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 -1.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 0.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 1.1671 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3580 -0.7814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6168 0.1845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9853 -1.3735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6433 -0.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6297 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 -0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0799 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3687 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2199 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6275 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1858 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -1.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 1.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 -1.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -2.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6563 0.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 -1.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 2.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 2.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 2.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 1.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -2.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0324 -2.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 0.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7589 -2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9977 2.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2063 -0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6677 1.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 10 3 1 1 0 0 0 11 3 1 1 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 1 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 7 1 M END $$$$ D00682 -OEChem-05072121562D 24 26 0 0 0 0 0 0 0999 V2000 2.7166 -0.4547 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -1.4547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.0398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.5453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.6386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -2.2594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$ D00683 -OEChem-05072121562D 43 45 0 1 0 0 0 0 0999 V2000 4.5981 -0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6970 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -2.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 2.1970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 2.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 0.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 -2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 8 3 1 1 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 14 2 0 0 0 0 4 21 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 5 41 1 0 0 0 0 6 19 1 0 0 0 0 6 21 2 0 0 0 0 7 23 3 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D00684 -OEChem-05072121562D 42 43 0 0 0 0 0 0 0999 V2000 5.4641 -1.5953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 2.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 2.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2952 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8341 4.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1376 3.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2548 3.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5582 4.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6861 3.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8782 2.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 3.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6752 1.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 1.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 1.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 14 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$ D00685 -OEChem-05072121562D 36 36 0 0 0 0 0 0 0999 V2000 3.0000 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 16 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END $$$$ D00686 -OEChem-05072121562D 31 32 0 0 0 0 0 0 0999 V2000 6.8671 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 17 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 8 16 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 17 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 16 19 2 0 0 0 0 16 24 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ D00687 -OEChem-05072121562D 34 35 0 0 0 0 0 0 0999 V2000 2.0000 0.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 2.0621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 1.6451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -0.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2647 3.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6199 2.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 2.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 1.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 3.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END $$$$ D00688 -OEChem-05072121562D 57 60 0 1 0 0 0 0 0999 V2000 10.3548 3.8287 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1314 4.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0869 0.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -3.2842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 1.6811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -2.0145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9339 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9088 3.9281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9339 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 3.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1314 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 3.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5846 1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3983 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 3.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 2.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6208 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7097 -0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8878 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4217 -2.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -3.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -3.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -4.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -2.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -5.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -5.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9339 4.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 3.8435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 3.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 2.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4704 4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3295 1.7657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9339 1.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 4.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 1.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6769 5.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 -1.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1172 -0.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0257 -2.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 1.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 1.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 1.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -1.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 -4.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -3.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 -1.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 -2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 -5.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -5.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 42 1 0 0 0 0 3 13 2 0 0 0 0 4 25 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 40 1 0 0 0 0 15 18 2 0 0 0 0 15 41 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END $$$$ D00689 -OEChem-05072121562D 43 45 0 1 0 0 0 0 0999 V2000 8.6690 0.9747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 -0.9971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 1.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8079 -0.1924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 0.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 1.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 0.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1690 1.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 1.4747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2049 -0.0253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3388 0.4747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0709 0.4747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3388 1.4747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2049 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4028 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 0.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2983 -2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 -1.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -0.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -0.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6034 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5384 1.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -2.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 -2.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9149 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 -2.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8827 -1.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5685 -0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 0.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 0.0225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 1.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5350 2.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 6 0 0 0 12 14 1 0 0 0 0 12 24 1 1 0 0 0 13 18 1 6 0 0 0 14 15 1 0 0 0 0 14 25 1 1 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$ D00690 -OEChem-05072121562D 54 58 0 1 0 0 0 0 0999 V2000 6.7792 4.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6732 3.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5492 4.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -4.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 -0.5214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 -3.5562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6733 3.2861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7633 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 0.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7633 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 2.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 4.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 4.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2628 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8642 -1.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8941 -1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4096 -2.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6532 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -2.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 -2.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 -3.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 0.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 1.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6335 2.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6427 2.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 4.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 4.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -0.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1199 1.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3370 1.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1866 1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 2.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4647 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 -2.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1566 -2.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 -3.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -3.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -4.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0673 -4.7306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 -4.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -4.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -4.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 9 2 1 1 0 0 0 2 43 1 0 0 0 0 3 17 2 0 0 0 0 4 20 2 0 0 0 0 5 28 1 0 0 0 0 5 54 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 23 1 0 0 0 0 8 26 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 16 34 1 0 0 0 0 18 25 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$ D00691 -OEChem-05072121562D 57 59 0 0 0 0 0 0 0999 V2000 3.7320 5.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 15 2 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 22 1 0 0 0 0 16 38 1 0 0 0 0 17 23 2 0 0 0 0 17 39 1 0 0 0 0 18 24 1 0 0 0 0 18 40 1 0 0 0 0 19 25 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$ D00692 -OEChem-05072121562D 44 45 0 0 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 16 2 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ D00693 -OEChem-05072121562D 44 45 0 1 0 0 0 0 0999 V2000 4.9641 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.2990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.1759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 1.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4272 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 6 0 0 0 1 31 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 6 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 M END $$$$ D00694 -OEChem-05072121562D 60 64 0 0 0 0 0 0 0999 V2000 2.0000 -4.7873 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 -4.7472 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 -2.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 0.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 0.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 4.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 -1.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 0.2873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 -1.2336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 -2.7473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 3.2873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 -1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4212 -2.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9212 -1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 -1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 0.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5231 -0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 1.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0552 2.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 2.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 -4.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 -2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -4.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -3.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -4.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 4.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 4.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4828 -2.1512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9462 -2.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8962 -2.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5038 -1.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0289 -1.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 -3.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 1.9418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 1.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5921 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7862 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -1.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -2.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9711 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7862 3.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1892 3.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 -2.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4581 2.9773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 -5.3872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -2.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0972 4.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3242 5.0973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 5.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 31 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 22 2 0 0 0 0 6 36 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 10 43 1 0 0 0 0 11 28 1 0 0 0 0 11 36 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 36 37 1 0 0 0 0 37 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 M END $$$$ D00695 -OEChem-05072121562D 65 67 0 1 0 0 0 0 0999 V2000 8.5854 1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3798 4.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3798 2.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 -2.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 2.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2497 -0.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 3.7920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3500 2.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2962 4.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 3.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4840 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.7925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9605 0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -0.9024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6034 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 -1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5354 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 4.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4400 1.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8336 4.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0452 4.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 2.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 4.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 3.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 -0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3539 1.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 -0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -0.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 -2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 -1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -2.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 0.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9179 -4.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -2.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 0.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -3.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4534 -4.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -4.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 1 0 0 0 0 2 50 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 18 7 1 1 0 0 0 20 7 1 6 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 1 0 0 0 9 13 1 0 0 0 0 9 33 1 6 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 17 1 1 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 M END $$$$ D00696 -OEChem-05072121562D 26 26 0 0 0 0 0 0 0999 V2000 4.2690 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END $$$$ D00697 -OEChem-05072121562D 21 22 0 1 0 0 0 0 0999 V2000 4.2320 1.8730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3660 1.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3660 1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 0.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 1.9719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7834 1.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 6 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M END $$$$ D00698 -OEChem-05072121562D 48 51 0 0 0 0 0 0 0999 V2000 12.2619 -3.0427 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.3106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.1535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.3487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -0.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2869 -0.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8445 0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -1.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -1.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -0.8431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2368 -0.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 1.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 2.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 2.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -1.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -4.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -4.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.9635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$ D00699 -OEChem-05072121562D 50 50 0 0 0 0 0 0 0999 V2000 8.1962 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -5.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -2.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -3.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 2.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 50 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 M END $$$$ D00700 -OEChem-05072121562D 30 32 0 0 0 0 0 0 0999 V2000 5.4641 -0.5721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -1.6067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -1.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 2.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 11 2 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 16 2 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 16 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 M END $$$$ D00701 -OEChem-05072121562D 35 38 0 0 0 0 0 0 0999 V2000 2.0000 -0.2812 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.2349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.6082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 0.5824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -1.8947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -2.7696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 1.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 3.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 -0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 0.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -2.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 0.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -2.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -2.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -3.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 -3.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 3.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 3.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 19 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$ D00702 -OEChem-05072121562D 28 27 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END $$$$ D00703 -OEChem-05072121562D 52 55 0 0 0 0 0 0 0999 V2000 6.3301 -3.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 -0.7052 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3636 -2.0726 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 -0.3444 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 M END $$$$ D00704 -OEChem-05072121562D 53 55 0 1 0 0 0 0 0999 V2000 2.3100 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4440 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9177 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7274 -1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 -2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7274 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 -2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 -1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2023 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 -0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 42 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 50 1 0 0 0 0 20 22 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 M END $$$$ D00705 -OEChem-05072121562D 19 19 0 0 0 0 0 0 0999 V2000 4.2601 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7194 1.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 0.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -1.7694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 6 2 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ D00706 -OEChem-05072121562D 56 57 0 0 0 0 0 0 0999 V2000 8.9282 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 22 1 0 0 0 0 3 27 1 0 0 0 0 4 23 1 0 0 0 0 4 28 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$ D00707 -OEChem-05072121562D 39 40 0 0 0 0 0 0 0999 V2000 4.2690 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 16 2 0 0 0 0 4 18 1 0 0 0 0 5 17 1 0 0 0 0 5 18 2 0 0 0 0 6 16 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 17 26 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END $$$$ D00708 -OEChem-05072121562D 48 50 0 1 0 0 0 0 0999 V2000 4.8830 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.5953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 0.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8244 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 3.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4609 0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 0.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8409 -0.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 11 1 0 0 0 0 6 14 2 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END $$$$ D00709 -OEChem-05072121562D 43 45 0 0 0 0 0 0 0999 V2000 3.5827 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 2.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 11 1 0 0 0 0 2 20 2 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$ D00710 -OEChem-05072121572D 59 63 0 1 0 0 0 0 0999 V2000 7.7692 -1.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3209 0.5176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -1.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2017 -0.8076 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7839 -0.7313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5251 0.2347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7617 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8957 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4774 -1.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0308 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5122 -1.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0934 0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7351 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4768 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8188 -0.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0620 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8373 0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 -1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 -0.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2856 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0039 -1.5523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3051 1.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0664 1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3046 0.7839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3140 1.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1589 2.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5206 -2.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8668 -1.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6322 0.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4615 0.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 -2.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0713 -1.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4856 0.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 0.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3202 -0.4358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 -1.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3905 -2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1473 -0.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3760 -1.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 0.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 0.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0137 1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -0.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -1.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1592 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 17 1 0 0 0 0 3 49 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 30 1 1 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 31 1 6 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 14 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 15 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 21 25 1 0 0 0 0 21 51 1 0 0 0 0 22 26 2 0 0 0 0 22 52 1 0 0 0 0 23 27 2 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 M CHG 1 4 1 M END $$$$ D00711 -OEChem-05072121572D 72 76 0 1 0 0 0 0 0999 V2000 8.7010 1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4114 1.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -0.9509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0084 0.3538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.4509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 -2.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0031 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 -2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 -0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5895 -0.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5454 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 2.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -2.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1686 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -1.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7574 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 1.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4302 -3.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8214 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7151 -3.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1034 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0873 -0.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9530 -0.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0917 0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 -3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 -0.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9338 -1.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5843 3.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7086 3.3693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 2.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 26 1 0 0 0 0 2 18 2 0 0 0 0 3 26 2 0 0 0 0 4 29 2 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 1 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 6 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 1 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 44 1 0 0 0 0 14 17 2 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 29 1 0 0 0 0 24 57 1 0 0 0 0 25 29 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 32 1 0 0 0 0 27 30 1 0 0 0 0 27 60 1 0 0 0 0 28 31 2 0 0 0 0 28 61 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 M END $$$$ D00713 -OEChem-05072121572D 68 71 0 1 0 0 0 0 0999 V2000 7.9506 -3.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -1.0226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.5226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.2821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -2.5710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.5641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -2.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 3.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 61 1 0 0 0 0 24 2 1 6 0 0 0 2 65 1 0 0 0 0 3 28 1 0 0 0 0 3 68 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 29 1 6 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 6 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 33 1 1 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 6 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END $$$$ D00714 -OEChem-05072121572D 43 44 0 1 0 0 0 0 0999 V2000 8.9702 1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 1.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.6554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2379 2.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5916 3.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2594 2.7653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9022 4.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9487 1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6596 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 3.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 2.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4915 4.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0948 5.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3129 4.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4852 3.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7409 2.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4305 3.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6520 2.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -0.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -0.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 0.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0672 0.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 12 6 1 6 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 20 1 0 0 0 0 7 21 2 0 0 0 0 8 17 1 0 0 0 0 8 23 2 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 41 1 0 0 0 0 10 23 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$ D00715 -OEChem-05072121572D 68 70 0 1 0 0 0 0 0999 V2000 4.5923 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0005 2.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7744 1.7726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -1.2726 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7359 2.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -1.2934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2564 -0.2726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4564 -0.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3624 -1.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -1.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9884 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1063 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8984 0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0044 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9065 1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8641 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6385 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -1.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2629 0.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 0.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 -2.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 0.7411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -1.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9821 -1.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7239 -2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5209 -2.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2005 -1.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 -1.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -3.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5659 1.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4317 -0.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 -2.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -3.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 -3.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -3.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 -2.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2002 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 3.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2402 0.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 0.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1767 2.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4004 3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5526 3.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3264 0.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1742 0.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9506 1.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 23 1 0 0 0 0 2 22 1 0 0 0 0 2 29 1 0 0 0 0 3 24 1 0 0 0 0 3 30 1 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 25 6 1 6 0 0 0 6 55 1 0 0 0 0 6 56 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 1 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 32 1 1 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 24 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 M END $$$$ D00716 -OEChem-05072121572D 47 48 0 1 0 0 0 0 0999 V2000 7.3704 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 1.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 2.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 1.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.6554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2379 2.9715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.2649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5916 3.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2594 2.7653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6811 0.4518 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6596 0.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 4.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9487 1.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -0.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -2.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1982 3.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 2.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6801 0.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2734 0.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4915 4.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0948 5.0495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3129 4.6528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4852 3.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0064 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7409 2.6967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -0.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7781 -0.6175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4663 1.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 0.7082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4305 3.5609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6520 2.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 2.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 3 45 1 0 0 0 0 4 18 2 0 0 0 0 5 24 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 13 7 1 6 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 22 1 0 0 0 0 8 23 2 0 0 0 0 9 21 1 0 0 0 0 9 25 2 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 44 1 0 0 0 0 11 25 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$ D00717 -OEChem-05072121572D 26 25 0 0 0 0 0 0 0999 V2000 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 26 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 M END $$$$ D00718 -OEChem-05072121572D 61 63 0 1 0 0 0 0 0999 V2000 2.5369 1.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5222 1.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1402 1.5676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 2.5186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 2.5186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 3.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 2.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 3.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -3.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -3.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -1.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 3.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 56 1 0 0 0 0 2 12 2 0 0 0 0 3 16 2 0 0 0 0 9 4 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 31 2 0 0 0 0 6 8 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 61 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 21 24 2 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ D00719 -OEChem-05072121572D 176185 0 1 0 0 0 0 0999 V2000 9.5173 0.3451 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.8967 0.5349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 -5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 1.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0190 0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5822 1.8498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1775 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 6.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0655 4.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8202 4.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6916 3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1775 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8833 -7.0210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 3.0521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 3.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.2416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8407 5.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -6.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2493 -6.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3833 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -4.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1153 -6.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3833 -3.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5173 -3.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3833 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3833 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6512 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9814 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1153 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5173 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6512 2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6512 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0532 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9192 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5794 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 2.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7852 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5794 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 3.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.5004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3115 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 4.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 5.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7134 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 4.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5795 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0995 4.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8474 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9814 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 6.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 4.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5795 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4600 4.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3115 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4455 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7124 -6.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1712 -4.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7727 -5.2626 0.0000 H 0 0 0 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0 86 93 2 0 0 0 0 86153 1 0 0 0 0 87 89 1 0 0 0 0 87 92 2 0 0 0 0 88 90 1 0 0 0 0 88 98 1 6 0 0 0 88154 1 0 0 0 0 89 90 2 0 0 0 0 89 96 1 0 0 0 0 90 97 1 0 0 0 0 92 93 1 0 0 0 0 93158 1 0 0 0 0 94160 1 0 0 0 0 94161 1 0 0 0 0 94162 1 0 0 0 0 95163 1 0 0 0 0 95164 1 0 0 0 0 95165 1 0 0 0 0 96101 2 0 0 0 0 97100 2 0 0 0 0 97166 1 0 0 0 0 99167 1 0 0 0 0 99168 1 0 0 0 0 99169 1 0 0 0 0 100101 1 0 0 0 0 101172 1 0 0 0 0 M END $$$$ D00720 -OEChem-05072121572D 54 57 0 0 0 0 0 0 0999 V2000 12.3853 -4.0373 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.9214 -3.9972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.0719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -1.9973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.4836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5373 0.0000 C 0 0 0 0 0 0 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0 0 0 0 0 12.0772 -2.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 26 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 19 1 0 0 0 0 6 23 2 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 7 47 1 0 0 0 0 8 22 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$ D00721 -OEChem-05072121572D 66 69 0 0 0 0 0 0 0999 V2000 3.0000 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.0000 0.0000 C 0 0 0 0 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0 0 0 0 0 3.2120 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1072 1.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7004 0.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 1.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 1.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 4.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9136 5.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1317 4.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 -0.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -0.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5995 0.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 4 22 1 0 0 0 0 4 32 1 0 0 0 0 5 29 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 24 1 0 0 0 0 9 29 1 0 0 0 0 9 51 1 0 0 0 0 10 24 2 0 0 0 0 11 26 2 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 23 2 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 1 0 0 0 0 30 33 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END $$$$ D00722 -OEChem-05072121572D 29 32 0 1 0 0 0 0 0999 V2000 9.2314 -0.1051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -2.0088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 0.0602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4414 1.0262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7048 2.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8099 -0.5318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4543 -0.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1527 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1255 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 -0.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 1.5604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0226 2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0916 2.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0697 -1.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8952 -1.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4809 0.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 1.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8303 -0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -1.9201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 1.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -0.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 25 1 0 0 0 0 2 13 2 0 0 0 0 2 15 1 0 0 0 0 3 14 2 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$ D00723 -OEChem-05072121572D 51 54 0 0 0 0 0 0 0999 V2000 2.0000 1.3689 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.7242 -0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7887 -0.8645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 2.5252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9305 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 1.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7457 -0.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.9358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7027 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3706 -0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0779 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0994 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 1.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3886 1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3491 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7207 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2291 0.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4715 0.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8442 -1.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6019 -1.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5531 -1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -1.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -2.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9952 1.3706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4770 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9558 -0.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2212 0.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 2.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 7 18 2 0 0 0 0 8 17 1 0 0 0 0 8 38 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 27 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 16 23 2 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 23 28 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 32 2 0 0 0 0 30 49 1 0 0 0 0 31 33 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$ D00724 -OEChem-05072121572D 111118 0 0 0 0 0 0 0999 V2000 8.1962 -9.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 9.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4641 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 6.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 5.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0622 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -8.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -9.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -6.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -6.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 -6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -8.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -9.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -8.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -7.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -9.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -7.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -10.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 7.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 8.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 7.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 7.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 8.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 6.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 6.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 9.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 9.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 9.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 9.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0670 0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0670 -2.6440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0780 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 13 1 0 0 0 0 2 52 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 45 1 0 0 0 0 4 55 1 0 0 0 0 5 49 2 0 0 0 0 8 14 1 0 0 0 0 9 14 2 0 0 0 0 10 23 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 33 1 0 0 0 0 12 42 1 0 0 0 0 12 48 1 0 0 0 0 12102 1 0 0 0 0 13 49 1 0 0 0 0 13103 1 0 0 0 0 14 50 1 0 0 0 0 15 57 1 0 0 0 0 15 59 2 0 0 0 0 16 59 1 0 0 0 0 16 61 1 0 0 0 0 16110 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 22 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 21 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 28 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 29 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 30 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 34 1 0 0 0 0 31 84 1 0 0 0 0 32 35 2 0 0 0 0 32 85 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 2 0 0 0 0 34 86 1 0 0 0 0 35 39 1 0 0 0 0 35 87 1 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 36 42 1 0 0 0 0 36 88 1 0 0 0 0 37 45 1 0 0 0 0 37 89 1 0 0 0 0 38 46 2 0 0 0 0 38 90 1 0 0 0 0 40 43 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 44 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45 47 2 0 0 0 0 46 47 1 0 0 0 0 46101 1 0 0 0 0 47 49 1 0 0 0 0 48 50 2 0 0 0 0 48 51 1 0 0 0 0 50 53 1 0 0 0 0 51 54 2 0 0 0 0 51104 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 53105 1 0 0 0 0 54106 1 0 0 0 0 55 56 1 0 0 0 0 55 57 2 0 0 0 0 56 58 2 0 0 0 0 56107 1 0 0 0 0 57108 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 2 0 0 0 0 60109 1 0 0 0 0 61111 1 0 0 0 0 M CHG 2 8 -1 14 1 M END $$$$ D00725 -OEChem-05072121572D 47 48 0 1 0 0 0 0 0999 V2000 2.6200 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 1.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 0.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2540 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6434 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5966 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5185 -3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6569 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5831 2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6569 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5831 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 34 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 M END $$$$ D00726 -OEChem-05072121572D 71 72 0 1 0 0 0 0 0999 V2000 2.8660 -2.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 2.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5981 0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 3.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -0.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 1.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 0.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4904 1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 2.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 3.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 2.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2057 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 3.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2881 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2881 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 0.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7181 1.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9081 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0611 4.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 27 1 0 0 0 0 3 32 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 15 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 17 21 2 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 30 2 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 M END $$$$ D00727 -OEChem-05072121572D 20 19 0 1 0 0 0 0 0999 V2000 6.8671 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ D00728 -OEChem-05072121572D 60 64 0 0 0 0 0 0 0999 V2000 14.4713 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5549 -0.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 0.5689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 -0.4311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 2.2668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5549 -2.2971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 -2.3940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1949 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 -0.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3289 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -0.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 -0.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7617 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5251 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4713 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0549 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -0.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0549 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5843 -0.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9829 -1.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 0.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 1.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 -1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4595 -1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7274 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8614 0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 1.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1293 0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 0.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2561 -2.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 2.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 -3.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 2.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6639 -0.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -0.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 1.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1749 -2.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2449 -2.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 32 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 5 54 1 0 0 0 0 6 32 1 0 0 0 0 6 59 1 0 0 0 0 6 60 1 0 0 0 0 7 33 3 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 19 24 2 0 0 0 0 19 51 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 24 53 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D00729 -OEChem-05252109482D 65 66 0 1 0 0 0 0 0999 V2000 7.5673 -0.9790 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8779 -1.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5178 -0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6168 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1671 -3.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6745 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -4.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 1.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8134 -2.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 2.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 1.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 3.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 -2.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7240 0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 -4.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 2.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 -3.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8808 1.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7454 -5.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1026 -3.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9880 3.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 3.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0968 1.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 2.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 0.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 0.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 3.0897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4702 -2.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 -1.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6367 0.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1044 0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0207 -4.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4990 2.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 -5.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9380 -5.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3348 -5.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5641 -4.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5167 -3.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6411 -3.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1806 2.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5773 3.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7954 3.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7072 4.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 3.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8791 3.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 21 1 0 0 0 0 17 2 1 1 0 0 0 2 21 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 6 26 1 0 0 0 0 6 30 1 0 0 0 0 7 27 1 0 0 0 0 7 31 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 9 29 1 0 0 0 0 9 31 1 0 0 0 0 10 30 2 0 0 0 0 11 31 2 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 14 20 2 0 0 0 0 14 25 1 0 0 0 0 15 24 1 0 0 0 0 15 25 2 0 0 0 0 16 24 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 23 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 28 52 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 0 0 0 0 29 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END $$$$ D00730 -OEChem-05072121572D 41 43 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 6 17 2 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 22 1 0 0 0 0 8 26 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$ D00732 -OEChem-05072121572D 69 73 0 1 0 0 0 0 0999 V2000 9.8602 5.1276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3901 -3.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 -5.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 -2.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -2.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1282 -3.8724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -2.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9942 -2.3724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8602 -3.8724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9942 -4.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -2.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -4.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -2.5676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3282 -3.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3282 -2.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8064 -4.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1171 -1.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -3.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 3.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 4.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 5.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1347 -2.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1347 -4.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 -2.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9502 -4.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -4.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3927 -4.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -1.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -1.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6388 -4.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4189 -2.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 -3.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1191 -2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7173 -2.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 -1.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7064 -1.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 -1.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5278 -1.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4665 -5.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 0.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -3.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -3.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -3.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -4.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -4.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5311 3.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 3.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 4.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 5.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 19 2 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 23 2 0 0 0 0 17 6 1 6 0 0 0 6 23 1 0 0 0 0 6 56 1 0 0 0 0 7 24 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 6 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 38 1 1 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 1 0 0 0 11 20 1 6 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 41 1 1 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 21 1 1 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 24 1 0 0 0 0 22 57 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 30 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 0 0 0 0 28 62 1 0 0 0 0 29 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 M END $$$$ D00733 -OEChem-05072121572D 39 41 0 1 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 -0.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 -0.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 0.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -0.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 3 22 1 0 0 0 0 10 4 1 1 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 15 2 0 0 0 0 6 24 1 0 0 0 0 7 25 2 0 0 0 0 8 21 2 0 0 0 0 8 25 1 0 0 0 0 9 23 1 0 0 0 0 9 24 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 1 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 23 2 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$ D00734 -OEChem-05072121572D 39 39 0 0 0 0 0 0 0999 V2000 4.5981 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 39 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 32 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$ D00735 -OEChem-05072121572D 43 45 0 0 0 0 0 0 0999 V2000 5.4641 -0.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$ D00736 -OEChem-05072121572D 39 41 0 1 0 0 0 0 0999 V2000 4.6660 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 -2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 38 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$ D00737 -OEChem-05072121572D 74 78 0 0 0 0 0 0 0999 V2000 15.2389 2.0646 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.1723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6176 0.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0327 3.0431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4451 1.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.4770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.6723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2604 1.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 0.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 -3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3249 1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6821 -0.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9712 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6606 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9497 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2174 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8853 1.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 2.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5281 3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8638 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5746 0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5066 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1744 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -1.5100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -2.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -2.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -1.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -2.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0151 0.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -2.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4464 -3.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2283 -4.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 -3.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4894 -1.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4960 2.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0746 -0.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8463 2.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 2.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 3.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3784 3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1140 3.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2778 1.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9853 0.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3820 -0.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1639 0.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6992 4.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7811 2.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 34 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 16 2 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 5 33 2 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 8 27 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 9 53 1 0 0 0 0 10 33 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 29 32 2 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 63 1 0 0 0 0 34 35 1 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 40 1 0 0 0 0 37 68 1 0 0 0 0 38 41 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 40 41 2 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 M END $$$$ D00738 -OEChem-05072121572D 38 40 0 0 0 0 0 0 0999 V2000 4.5981 -4.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.5924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 4.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 3.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 1.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 21 2 0 0 0 0 5 14 1 0 0 0 0 5 20 2 0 0 0 0 6 23 3 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 16 2 0 0 0 0 10 24 1 0 0 0 0 11 18 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$ D00739 -OEChem-05072121572D 32 33 0 1 0 0 0 0 0999 V2000 5.8858 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1591 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 0.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 3.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 0.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 1.8725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.8709 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7663 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.5768 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0768 -0.6275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2678 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1646 -2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9645 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 -0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6074 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 -3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 2.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5236 -3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6548 2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 2.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 1.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 29 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 11 5 1 6 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 10 6 1 1 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 8 1 9 -1 M END $$$$ D00740 -OEChem-05072121572D 28 29 0 1 0 0 0 0 0999 V2000 4.6783 -0.1702 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.2315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.0976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.6345 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2619 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 0.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 1.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 1.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -1.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 5 16 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 18 1 0 0 0 0 10 13 2 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 M END $$$$ D00741 -OEChem-05072121572D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ D00742 -OEChem-05072121572D 49 53 0 0 0 0 0 0 0999 V2000 7.0390 -3.7478 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1669 -2.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -0.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 0.7521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 0.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -3.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 0.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4409 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3069 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 -0.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 -1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 2.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6370 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6370 -3.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 -3.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5833 -1.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -3.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1669 -2.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1827 3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 4.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 1.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -0.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2288 -0.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 1.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 1.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6496 -0.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -0.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4284 -1.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8269 -2.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -1.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1207 -1.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7710 -4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7759 -4.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 2.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 3.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 4.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 4.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 7 45 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 16 25 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 41 1 0 0 0 0 19 23 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 23 44 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$ D00743 -OEChem-05072121572D 42 44 0 1 0 0 0 0 0999 V2000 2.0000 -0.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -2.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.5147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.8249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 1.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.5202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 1.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 0.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -1.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -1.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 0.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -1.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1856 -2.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6992 1.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 2.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 2.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3864 3.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5109 3.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4635 2.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 19 2 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 5 16 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 6 0 0 0 6 11 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 18 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$ D00744 -OEChem-05072121572D 44 46 0 0 0 0 0 0 0999 V2000 4.2086 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 1.8529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.7925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 0.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -0.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 -3.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -0.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 -3.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4159 3.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3685 2.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6041 1.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 2.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 -1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$ D00745 -OEChem-05072121572D 22 23 0 0 0 0 0 0 0999 V2000 5.9674 0.9915 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 1.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1737 0.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 1.1977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 0.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 5 8 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 M END $$$$ D00801 -OEChem-05252109482D 579581 0 1 0 0 0 0 0999 V2000 12.1578 -20.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2772 -23.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 -19.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9103 -25.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8426 -15.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2463 -15.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7232 -11.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -26.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3195 -11.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -29.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2001 -7.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7964 -7.4383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3289 -16.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6770 -3.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2733 -3.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7617 20.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1700 -17.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -30.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8811 17.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2424 4.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1539 0.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9696 21.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7138 -6.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3618 1.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 -31.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5549 -7.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8388 4.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6731 16.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6507 -33.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7683 8.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.8502 25.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8145 0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7193 8.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9734 1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5972 4.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.7926 12.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2049 25.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0581 26.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1962 12.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3157 8.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9026 14.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7436 12.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -34.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.6329 29.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2445 30.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5350 30.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4524 31.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0702 28.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.0272 34.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9988 -21.2881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 -18.6627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 -23.2444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7815 -17.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2161 -25.5097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2585 -13.2050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1484 -14.8012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8493 -27.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6253 -10.9397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7354 -9.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 -29.7313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1022 -7.0782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2123 -5.4820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5791 -3.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6027 19.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 -1.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.2754 22.1130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0169 -13.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.1446 5.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 -27.8772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7777 2.9612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -31.9966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1869 17.5312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6676 1.3650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.3854 23.7091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2827 -8.7766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -31.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1907 -2.4965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7596 -4.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.2546 6.8227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5142 14.9058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.7523 25.9744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -33.5928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2287 -30.1185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.6215 9.0880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.0984 12.9495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.3066 16.7053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.7315 10.6842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4739 28.2909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7561 5.9468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.4757 18.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9769 -9.1367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 40.5476 25.5872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.3639 26.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6555 -0.8492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8180 -10.4238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.4538 -5.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4965 -2.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.2949 -6.5624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.8566 24.6362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.1466 30.9163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5451 6.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -35.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.0220 10.5820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8682 33.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.5409 35.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7420 -21.9572 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4636 -19.6408 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6930 -21.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5126 -19.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4362 -22.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3751 -24.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7694 -19.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8305 -17.3755 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2068 -20.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5341 -22.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3074 -13.5140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0873 -16.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0082 -26.4878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6226 -18.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5643 -12.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4174 -11.9178 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9405 -15.7793 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1672 -25.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7514 -27.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5861 -12.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1606 -12.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 -15.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3872 -22.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 -23.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3533 -24.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -24.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 -19.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9773 -18.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8982 -28.0840 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4697 -13.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0995 -14.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9895 -16.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 -27.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7024 -26.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4664 -12.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6837 -16.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0572 -26.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5521 -15.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -27.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7843 -9.6525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4456 -27.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2771 -11.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9170 -13.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5764 -10.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 -29.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6347 -16.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4477 -13.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 -14.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8943 -8.0563 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7600 -14.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0412 -8.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 -27.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9961 -28.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2612 -5.7910 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2255 -30.7095 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.6375 -8.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3966 -27.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9433 -8.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3712 -4.1948 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.7381 -1.9295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 35.0675 21.1348 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 36.3458 18.8184 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 26.6892 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1164 20.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5181 -5.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.2969 19.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6798 3.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.4323 -2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9366 4.2484 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.1144 -4.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0533 -6.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2491 -8.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3732 21.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5885 -8.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0400 18.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 -31.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4202 -4.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5302 -2.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7260 -4.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8106 20.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3779 -16.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0654 -4.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 -31.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6308 3.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8266 2.6522 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 36.1379 17.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4597 0.3869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.3317 -9.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9856 3.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4343 23.4001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 28.4719 2.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2029 -0.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3834 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2244 -3.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4222 21.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5812 22.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9197 -31.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9911 18.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8321 17.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2264 22.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9828 -3.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9790 16.5531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.0835 3.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -32.3056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 26.8086 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6187 1.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6912 24.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5059 -7.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5087 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3740 3.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0956 5.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3035 6.5137 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 34.0279 16.2441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -31.6365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 25.2914 4.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7221 15.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8991 25.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5444 24.9963 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2288 -30.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -33.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5933 24.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4135 8.1099 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 36.2573 14.2367 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 33.2847 16.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5604 7.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1567 7.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 -30.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2875 24.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4625 7.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5378 -31.0696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8904 11.9714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 33.1077 7.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5482 4.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0259 -9.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0494 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1 0 0 0 0 232491 1 0 0 0 0 233250 1 0 0 0 0 233492 1 0 0 0 0 233493 1 0 0 0 0 236494 1 0 0 0 0 237243 1 0 0 0 0 237254 1 0 0 0 0 237495 1 0 0 0 0 238248 1 0 0 0 0 238496 1 0 0 0 0 238497 1 0 0 0 0 242262 1 0 0 0 0 242501 1 0 0 0 0 242502 1 0 0 0 0 243251 1 0 0 0 0 243503 1 0 0 0 0 243504 1 0 0 0 0 245249 1 0 0 0 0 245255 1 0 0 0 0 245506 1 0 0 0 0 246261 1 0 0 0 0 246265 1 0 0 0 0 246508 1 0 0 0 0 248259 1 0 0 0 0 248510 1 0 0 0 0 248511 1 0 0 0 0 250264 2 0 0 0 0 251257 1 0 0 0 0 251513 1 0 0 0 0 251514 1 0 0 0 0 253515 1 0 0 0 0 255263 1 0 0 0 0 255516 1 0 0 0 0 255517 1 0 0 0 0 256258 1 0 0 0 0 257266 1 0 0 0 0 257518 1 0 0 0 0 257519 1 0 0 0 0 258520 1 0 0 0 0 258521 1 0 0 0 0 259523 1 0 0 0 0 259524 1 0 0 0 0 260526 1 0 0 0 0 261528 1 0 0 0 0 261529 1 0 0 0 0 261530 1 0 0 0 0 263274 1 0 0 0 0 263537 1 0 0 0 0 263538 1 0 0 0 0 264539 1 0 0 0 0 266542 1 0 0 0 0 266543 1 0 0 0 0 267268 1 0 0 0 0 267272 1 0 0 0 0 267546 1 0 0 0 0 269551 1 0 0 0 0 270271 1 0 0 0 0 270273 1 0 0 0 0 270553 1 0 0 0 0 271275 1 0 0 0 0 271276 1 0 0 0 0 271554 1 0 0 0 0 272558 1 0 0 0 0 272559 1 0 0 0 0 275566 1 0 0 0 0 275567 1 0 0 0 0 275568 1 0 0 0 0 276569 1 0 0 0 0 276570 1 0 0 0 0 276571 1 0 0 0 0 277278 1 0 0 0 0 278279 1 0 0 0 0 278574 1 0 0 0 0 279575 1 0 0 0 0 279576 1 0 0 0 0 279577 1 0 0 0 0 M END $$$$ D00802 -OEChem-05252109482D 26 27 0 0 0 0 0 0 0999 V2000 6.3301 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 2 4 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$ D00805 -OEChem-05252109482D 10 9 0 0 0 0 0 0 0999 V2000 4.5981 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ D00806 -OEChem-05252109482D 27 25 0 0 0 0 0 0 0999 V2000 2.8850 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 5.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 3.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 4.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$ D00807 -OEChem-05252109482D 64 67 0 1 0 0 0 0 0999 V2000 7.9298 7.2014 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 1.8363 12.9886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7901 13.5393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6088 10.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 3.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 10.5715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 11.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 6.8427 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7206 7.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 8.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0891 6.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 6.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 9.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7471 7.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 7.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 5.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 5.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 4.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9017 10.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1606 11.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 12.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 12.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 11.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 13.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1336 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8067 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 11.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 14.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 12.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 14.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5478 0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7066 7.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1793 9.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 8.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 6.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 5.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 5.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4547 6.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 9.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5528 7.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 6.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 7.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 7.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 6.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 5.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 4.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 5.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 4.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 3.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 11.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4499 10.8066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 12.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 2.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 1.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 14.5093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 13.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 14.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 13 4 1 6 0 0 0 4 19 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 19 2 0 0 0 0 7 20 1 0 0 0 0 7 53 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 26 32 1 0 0 0 0 26 56 1 0 0 0 0 27 33 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M CHG 2 1 -1 8 1 M END $$$$ D00808 -OEChem-05252109482D 59 64 0 0 0 0 0 0 0999 V2000 9.8462 -1.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 4.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -2.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9504 -3.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -3.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -4.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9504 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -3.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -4.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3288 -4.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4412 -4.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -1.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 3.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5428 -4.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7856 -3.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 -4.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5610 -3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 -2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 -2.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6674 -3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0795 -2.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8297 -3.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7442 -4.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 -4.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0194 -5.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 -5.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 -4.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -5.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7112 -1.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5171 0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 1.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0223 -1.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 -0.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4023 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 1.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 0.1936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 3.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2068 1.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 4.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 4.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 31 1 0 0 0 0 2 59 1 0 0 0 0 3 31 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 32 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$ D00809 -OEChem-05252109482D 32 34 0 1 0 0 0 0 0999 V2000 5.9405 0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.3278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1674 2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 6 0 0 0 2 26 1 0 0 0 0 12 3 1 6 0 0 0 3 27 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 11 5 1 1 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 1 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 19 30 1 0 0 0 0 M END $$$$ D00811 -OEChem-05252109482D 229234 0 1 0 0 0 0 0999 V2000 12.5070 -10.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7503 -10.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3441 -13.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9111 -9.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0368 -6.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8305 -5.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2614 -2.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0551 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 2.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3642 4.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 7.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1847 8.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2652 3.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 1.8766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9785 9.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7228 9.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7989 13.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0463 14.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7494 12.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9689 -11.8690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6138 -12.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6059 -9.6013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2127 -11.7848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 -14.1832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4987 -8.0015 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1357 -5.7338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4181 -3.4196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -9.9401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -0.7948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 1.1622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 3.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 -4.8018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 6.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 0.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 8.7262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -1.2626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 11.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1274 -3.5126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -5.1590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2114 11.0869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8817 -12.2773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7755 -13.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 -13.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2985 -12.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7627 -10.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7486 -11.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8121 -10.5798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0678 -11.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4807 -11.7818 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0 0 0 119282 1 0 0 0 0 119283 1 0 0 0 0 120127 1 0 0 0 0 120284 1 0 0 0 0 120285 1 0 0 0 0 121122 1 0 0 0 0 121125 1 0 0 0 0 121288 1 0 0 0 0 123130 1 0 0 0 0 123289 1 0 0 0 0 124136 2 0 0 0 0 124137 1 0 0 0 0 125133 1 0 0 0 0 125290 1 0 0 0 0 125291 1 0 0 0 0 126132 1 0 0 0 0 126292 1 0 0 0 0 127293 1 0 0 0 0 127294 1 0 0 0 0 128129 1 0 0 0 0 128131 1 0 0 0 0 128295 1 0 0 0 0 129134 1 0 0 0 0 129298 1 0 0 0 0 129299 1 0 0 0 0 130132 2 0 0 0 0 130300 1 0 0 0 0 132301 1 0 0 0 0 133149 1 0 0 0 0 133302 1 0 0 0 0 133303 1 0 0 0 0 134141 1 0 0 0 0 134304 1 0 0 0 0 134305 1 0 0 0 0 135142 1 0 0 0 0 135306 1 0 0 0 0 135307 1 0 0 0 0 136143 1 0 0 0 0 136308 1 0 0 0 0 137144 2 0 0 0 0 137309 1 0 0 0 0 138139 1 0 0 0 0 138145 1 0 0 0 0 138310 1 0 0 0 0 139140 1 0 0 0 0 139311 1 0 0 0 0 139312 1 0 0 0 0 140151 1 0 0 0 0 140152 1 0 0 0 0 140313 1 0 0 0 0 141150 1 0 0 0 0 141315 1 0 0 0 0 141316 1 0 0 0 0 143153 2 0 0 0 0 143319 1 0 0 0 0 144153 1 0 0 0 0 144320 1 0 0 0 0 146148 1 0 0 0 0 147155 1 0 0 0 0 147157 1 0 0 0 0 147322 1 0 0 0 0 148160 1 0 0 0 0 148323 1 0 0 0 0 150324 1 0 0 0 0 150325 1 0 0 0 0 151326 1 0 0 0 0 151327 1 0 0 0 0 151328 1 0 0 0 0 152329 1 0 0 0 0 152330 1 0 0 0 0 152331 1 0 0 0 0 153333 1 0 0 0 0 154158 1 0 0 0 0 154162 1 0 0 0 0 154332 1 0 0 0 0 156159 1 0 0 0 0 156171 1 0 0 0 0 156334 1 0 0 0 0 157164 1 0 0 0 0 157337 1 0 0 0 0 157338 1 0 0 0 0 158167 1 0 0 0 0 158339 1 0 0 0 0 158340 1 0 0 0 0 159161 1 0 0 0 0 159341 1 0 0 0 0 159342 1 0 0 0 0 160345 1 0 0 0 0 160346 1 0 0 0 0 160347 1 0 0 0 0 161173 1 0 0 0 0 161348 1 0 0 0 0 161349 1 0 0 0 0 163166 1 0 0 0 0 163174 1 0 0 0 0 163350 1 0 0 0 0 164180 2 0 0 0 0 164181 1 0 0 0 0 165168 1 0 0 0 0 165176 1 0 0 0 0 165351 1 0 0 0 0 166178 1 0 0 0 0 166179 1 0 0 0 0 166352 1 0 0 0 0 167188 1 0 0 0 0 167353 1 0 0 0 0 167354 1 0 0 0 0 169170 1 0 0 0 0 169187 1 0 0 0 0 169357 1 0 0 0 0 172177 1 0 0 0 0 172189 1 0 0 0 0 172358 1 0 0 0 0 173360 1 0 0 0 0 173361 1 0 0 0 0 175184 1 0 0 0 0 175185 1 0 0 0 0 175364 1 0 0 0 0 176366 1 0 0 0 0 176367 1 0 0 0 0 178369 1 0 0 0 0 178370 1 0 0 0 0 178371 1 0 0 0 0 179372 1 0 0 0 0 179373 1 0 0 0 0 179374 1 0 0 0 0 180191 1 0 0 0 0 180375 1 0 0 0 0 181192 2 0 0 0 0 181376 1 0 0 0 0 182190 1 0 0 0 0 182377 1 0 0 0 0 182378 1 0 0 0 0 183186 1 0 0 0 0 183193 1 0 0 0 0 183380 1 0 0 0 0 185194 1 0 0 0 0 185381 1 0 0 0 0 185382 1 0 0 0 0 187383 1 0 0 0 0 187384 1 0 0 0 0 187385 1 0 0 0 0 189386 1 0 0 0 0 189387 1 0 0 0 0 191195 2 0 0 0 0 191389 1 0 0 0 0 192195 1 0 0 0 0 192390 1 0 0 0 0 193204 1 0 0 0 0 193392 1 0 0 0 0 193393 1 0 0 0 0 194206 1 0 0 0 0 194394 1 0 0 0 0 194395 1 0 0 0 0 196198 1 0 0 0 0 196203 1 0 0 0 0 196398 1 0 0 0 0 197200 1 0 0 0 0 197201 1 0 0 0 0 197399 1 0 0 0 0 199205 1 0 0 0 0 199207 1 0 0 0 0 199401 1 0 0 0 0 200209 1 0 0 0 0 200403 1 0 0 0 0 203405 1 0 0 0 0 203406 1 0 0 0 0 207211 1 0 0 0 0 207409 1 0 0 0 0 207410 1 0 0 0 0 208210 1 0 0 0 0 208212 1 0 0 0 0 208412 1 0 0 0 0 209413 1 0 0 0 0 209414 1 0 0 0 0 209415 1 0 0 0 0 211213 2 0 0 0 0 211214 1 0 0 0 0 212215 1 0 0 0 0 212417 1 0 0 0 0 213217 1 0 0 0 0 213427 1 0 0 0 0 214218 2 0 0 0 0 214428 1 0 0 0 0 215429 1 0 0 0 0 215430 1 0 0 0 0 215431 1 0 0 0 0 216219 1 0 0 0 0 217220 2 0 0 0 0 217432 1 0 0 0 0 218220 1 0 0 0 0 218433 1 0 0 0 0 219435 1 0 0 0 0 219436 1 0 0 0 0 220437 1 0 0 0 0 221222 1 0 0 0 0 221223 1 0 0 0 0 221439 1 0 0 0 0 223224 1 0 0 0 0 223440 1 0 0 0 0 223441 1 0 0 0 0 224226 1 0 0 0 0 224443 1 0 0 0 0 224444 1 0 0 0 0 225227 1 0 0 0 0 227445 1 0 0 0 0 227446 1 0 0 0 0 228229 1 0 0 0 0 228230 1 0 0 0 0 228448 1 0 0 0 0 230231 1 0 0 0 0 230450 1 0 0 0 0 230451 1 0 0 0 0 231232 2 0 0 0 0 232454 1 0 0 0 0 233456 1 0 0 0 0 M END $$$$ D00817 -OEChem-05252109482D 44 47 0 0 0 0 0 0 0999 V2000 2.0000 2.8888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -2.4475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 1.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 0.4788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -0.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 0.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 2.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1280 2.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -3.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2815 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 1.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 2.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -1.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -0.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 -0.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 -1.0551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7061 -2.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1046 -1.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 -1.8398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 -2.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 3.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5694 3.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6866 3.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 3.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 -3.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -4.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -3.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 -0.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 2.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5199 0.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1028 1.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 3.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 12 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$ D00818 -OEChem-05252109482D 73 76 0 1 0 0 0 0 0999 V2000 7.4149 -2.9346 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 1.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 -0.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.4447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5079 0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5491 -3.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2548 0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 0.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 1.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 13 2 1 6 0 0 0 2 30 1 0 0 0 0 17 3 1 1 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 39 1 6 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 24 1 6 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END $$$$ D00821 -OEChem-05252109482D 27 25 0 1 0 0 0 0 0999 V2000 5.1350 -0.5880 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.5880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 -1.4540 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.7690 -1.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.4540 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0880 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7690 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -0.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 1.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 2 12 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 M CHG 2 3 1 5 -1 M END $$$$ D00822 -OEChem-05252109482D 64 65 0 0 0 0 0 0 0999 V2000 8.7461 5.9144 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 9.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 10.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 6.3278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 9.1938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 3.8278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5691 3.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 2.2890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 2.2890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 8.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 7.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 6.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 6.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 9.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 5.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1261 9.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7601 4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1261 10.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 8.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 11.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 8.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6261 10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 3.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1261 9.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 8.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 7.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 7.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 8.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 6.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 6.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 6.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1027 6.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7087 9.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 9.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 4.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 5.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 5.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1495 4.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 10.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 11.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 7.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 10.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 10.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 10.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 9.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 12.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 12.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 11.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 7.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9361 10.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 9.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2416 1.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 1.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5126 0.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3312 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7461 5.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 64 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 2 0 0 0 0 4 28 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 28 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 M END $$$$ D00827 -OEChem-05252109492D 52 54 0 1 0 0 0 0 0999 V2000 5.8688 0.7346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -5.2599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -4.2599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -4.2599 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 3.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 1.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 2.8742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 1.8561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 4.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -1.7599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3907 0.0765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.7402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9136 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 3.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 3.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -3.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -4.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -3.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -3.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8394 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 0.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 -0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 -1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 3.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 4.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6035 5.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 4.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 3.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 3.0821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8484 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -3.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3254 -3.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7054 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 -3.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7054 -3.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6005 4.8231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6195 5.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 -2.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7054 0.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1084 -0.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 -1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -2.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -1.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 38 1 0 0 0 0 9 16 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 19 2 0 0 0 0 10 29 1 0 0 0 0 11 25 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$ D00828 -OEChem-05252109492D 59 59 0 1 0 0 0 0 0999 V2000 11.9356 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -3.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -2.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1755 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9845 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9075 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7736 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6396 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6230 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0815 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6107 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -3.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 -3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6385 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 -1.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 -2.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -3.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -3.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1196 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5181 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -2.4434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2969 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9856 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3841 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 -4.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 1.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5615 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1630 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1765 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 38 1 0 0 0 0 2 11 2 0 0 0 0 17 3 1 1 0 0 0 3 53 1 0 0 0 0 4 24 1 0 0 0 0 4 59 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 6 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 1 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 M END $$$$ D00830 -OEChem-05252109492D 71 76 0 1 0 0 0 0 0999 V2000 8.1531 1.7638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 -0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -2.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 2.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 0.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 0.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1030 2.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -0.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -0.1759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6291 -0.6759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0260 -0.8430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4951 -0.1759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4311 -1.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4951 0.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4198 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6291 1.3241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3890 1.3587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3890 -0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1202 0.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -1.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 -0.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2951 -0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2951 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -1.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7404 2.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3639 2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 -2.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 -0.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2951 3.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3161 -1.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4885 -1.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7758 -2.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -2.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0363 -1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 1.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 0.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0921 1.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 -1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7826 -1.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5952 0.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 1.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6453 0.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5041 -0.7804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9059 -0.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -3.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2494 -2.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 -0.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5122 -1.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2122 2.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 2.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 1.7176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8211 2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0921 2.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -3.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7678 -3.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8659 -1.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6941 -2.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8469 -0.7142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -0.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7746 1.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 1.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 0.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 17 4 1 6 0 0 0 4 60 1 0 0 0 0 5 22 2 0 0 0 0 6 31 1 0 0 0 0 6 35 1 0 0 0 0 7 34 2 0 0 0 0 8 35 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 37 1 1 0 0 0 11 13 1 0 0 0 0 11 22 1 6 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 38 1 6 0 0 0 13 15 1 0 0 0 0 13 39 1 6 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 24 1 0 0 0 0 18 27 1 6 0 0 0 18 28 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 32 2 0 0 0 0 25 29 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 33 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 35 36 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 M END $$$$ D00831 -OEChem-05252109492D 15 15 0 0 0 0 0 0 0999 V2000 2.5369 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ D00832 -OEChem-05252109492D 83 85 0 1 0 0 0 0 0999 V2000 9.8671 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 -1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 -1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8671 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8671 -3.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 3.5516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 -3.3766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 1.8195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8671 -1.6446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 4.4176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 -0.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3671 0.9535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3671 -0.7785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3671 0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3671 -0.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3671 -0.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8671 -1.6446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3671 -2.5106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.6446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3671 -2.5106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.1446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3671 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8671 -3.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.6856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 3.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1771 0.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6771 -1.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0571 1.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -0.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4747 1.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 1.1656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7471 -0.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4871 1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9871 -0.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1771 -2.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 0.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 -0.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0571 -3.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7471 -2.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5571 -2.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7594 -3.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4497 -3.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1771 -2.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1771 -1.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6771 2.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4871 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5571 -3.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4497 3.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7594 4.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5571 -3.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 3.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9747 2.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7471 4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 4.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 25 1 1 6 0 0 0 20 2 1 6 0 0 0 26 2 1 6 0 0 0 22 3 1 1 0 0 0 3 59 1 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 6 0 0 0 6 69 1 0 0 0 0 29 7 1 6 0 0 0 7 70 1 0 0 0 0 30 8 1 6 0 0 0 8 71 1 0 0 0 0 31 9 1 1 0 0 0 9 72 1 0 0 0 0 33 10 1 6 0 0 0 10 73 1 0 0 0 0 11 35 2 0 0 0 0 12 36 1 0 0 0 0 12 78 1 0 0 0 0 38 13 1 1 0 0 0 13 79 1 0 0 0 0 21 14 1 1 0 0 0 14 35 1 0 0 0 0 14 50 1 0 0 0 0 23 15 1 1 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 28 16 1 1 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 37 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 18 40 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 36 1 1 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 37 1 1 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END $$$$ D00834 -OEChem-05252109492D 33 34 0 1 0 0 0 0 0999 V2000 5.2320 -0.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.0005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.9636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.5005 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6340 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -1.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 0.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 0.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 2.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 3.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 2.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$ D00835 -OEChem-05252109492D 52 53 0 1 0 0 0 0 0999 V2000 4.2690 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7036 -0.0055 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5127 -1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6818 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9605 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1684 1.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0791 -0.6623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2027 -1.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0142 -1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5967 -1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6834 -0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2482 0.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4902 0.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3856 0.8959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6320 0.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 1.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2973 2.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 1.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 37 1 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M END $$$$ D00836 -OEChem-05252109492D 36 38 0 0 0 0 0 0 0999 V2000 6.3981 -1.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9243 1.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 0.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -1.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.3702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 0.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 0.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -1.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 1.6757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 1.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1509 1.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 -1.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4663 -1.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4601 1.9902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 36 1 0 0 0 0 4 22 2 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 12 17 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 19 2 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M END $$$$ D00838 -OEChem-05252109492D 16 14 0 1 0 0 0 0 0999 V2000 0.5369 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 5.6569 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 1.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 5.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2575 6.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8775 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ D00839 -OEChem-05252109492D 146149 0 1 0 0 0 0 0999 V2000 10.3965 3.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1202 6.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6534 3.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 5.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6319 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 4.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8887 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 -2.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 3.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -5.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 -8.3455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1025 -7.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0907 4.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8123 1.9494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 5.2603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1671 1.8983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0453 0.5882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 0.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5235 -0.0699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4024 -1.7564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -4.0728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 -5.9780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -5.4110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3441 -7.2651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -5.6179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9862 5.2603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8997 5.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5689 4.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3476 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5555 2.6185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1202 5.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5065 2.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1181 1.5893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3261 0.6111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8613 2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 5.7603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7145 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5829 -0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3881 6.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2771 0.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 1.5382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4239 1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 5.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7908 -1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6280 0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 7.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1945 -0.7782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2650 2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 -0.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 -0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5453 -0.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 2.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5221 8.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 6.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8672 -3.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5003 -1.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6593 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 -3.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 8.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 7.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 2.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 -4.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 8.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 2.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9772 -4.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -5.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 3.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5888 -5.7200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7967 -6.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 -7.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -6.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 4.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4013 6.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5897 6.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0705 4.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9837 5.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8773 3.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6353 3.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9658 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1262 2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5928 2.9235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 1.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2541 4.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7868 1.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9251 6.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2544 0.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0081 -0.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 2.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9987 6.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6002 7.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0855 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3.9152 -1.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 5.4503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 -3.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9045 -3.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6997 1.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 4.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6561 9.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 6.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 -4.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9399 -5.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -3.8812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2531 8.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 4.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5968 -4.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0635 -4.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1281 -6.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1253 -7.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 -6.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -5.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 -4.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9338 -7.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -7.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 -5.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7504 -5.0114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8007 -8.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 32 2 0 0 0 0 3 36 2 0 0 0 0 4 44 1 0 0 0 0 4121 1 0 0 0 0 5 43 2 0 0 0 0 6 44 2 0 0 0 0 7 51 2 0 0 0 0 8 59 2 0 0 0 0 9 71 1 0 0 0 0 9141 1 0 0 0 0 10 70 2 0 0 0 0 11 74 1 0 0 0 0 11146 1 0 0 0 0 12 74 2 0 0 0 0 13 26 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 31 14 1 6 0 0 0 14 36 1 0 0 0 0 14 86 1 0 0 0 0 15 32 1 0 0 0 0 37 15 1 6 0 0 0 15 88 1 0 0 0 0 34 16 1 6 0 0 0 16 43 1 0 0 0 0 16 93 1 0 0 0 0 17 38 1 0 0 0 0 17 52 1 0 0 0 0 17100 1 0 0 0 0 42 18 1 1 0 0 0 18 51 1 0 0 0 0 18108 1 0 0 0 0 19 46 1 0 0 0 0 19 52 2 0 0 0 0 48 20 1 1 0 0 0 20 59 1 0 0 0 0 20111 1 0 0 0 0 56 21 1 6 0 0 0 21 70 1 0 0 0 0 21130 1 0 0 0 0 22 69 1 0 0 0 0 22 75 2 0 0 0 0 72 23 1 6 0 0 0 23139 1 0 0 0 0 23140 1 0 0 0 0 24 75 1 0 0 0 0 24142 1 0 0 0 0 24143 1 0 0 0 0 25 75 1 0 0 0 0 25144 1 0 0 0 0 25145 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 6 0 0 0 26 76 1 0 0 0 0 27 28 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 29 82 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 31 83 1 0 0 0 0 33 38 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 87 1 0 0 0 0 35 39 1 0 0 0 0 35 41 1 1 0 0 0 35 89 1 0 0 0 0 37 40 1 0 0 0 0 37 44 1 0 0 0 0 37 90 1 0 0 0 0 38 46 2 0 0 0 0 39 45 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 40 47 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 41 98 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 42 99 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 46104 1 0 0 0 0 47 54 2 0 0 0 0 47 55 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 48105 1 0 0 0 0 49 53 1 0 0 0 0 49106 1 0 0 0 0 49107 1 0 0 0 0 50 57 1 0 0 0 0 50 58 1 0 0 0 0 50109 1 0 0 0 0 52110 1 0 0 0 0 53 63 2 0 0 0 0 53 64 1 0 0 0 0 54 61 1 0 0 0 0 54112 1 0 0 0 0 55 62 2 0 0 0 0 55113 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 56114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 58118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 60 65 1 0 0 0 0 60122 1 0 0 0 0 60123 1 0 0 0 0 61 66 2 0 0 0 0 61126 1 0 0 0 0 62 66 1 0 0 0 0 62127 1 0 0 0 0 63 67 1 0 0 0 0 63124 1 0 0 0 0 64 68 2 0 0 0 0 64125 1 0 0 0 0 65 69 1 0 0 0 0 65128 1 0 0 0 0 65129 1 0 0 0 0 66131 1 0 0 0 0 67 71 2 0 0 0 0 67132 1 0 0 0 0 68 71 1 0 0 0 0 68133 1 0 0 0 0 69134 1 0 0 0 0 69135 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 72136 1 0 0 0 0 73 74 1 0 0 0 0 73137 1 0 0 0 0 73138 1 0 0 0 0 M END $$$$ D00840 -OEChem-05252109492D 48 51 0 0 0 0 0 0 0999 V2000 6.6844 0.5765 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -0.4633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4313 1.0720 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3323 0.1820 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5414 2.1710 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -1.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -1.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9632 -1.1835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2722 -0.2325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 2.2991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.3978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2111 3.8126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7722 -3.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5812 -1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2722 -0.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -1.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 0.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4533 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -1.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -2.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4423 1.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0356 2.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4368 1.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6234 3.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 -2.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9177 -2.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 -2.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6267 -2.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3338 -3.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2106 -3.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 -0.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2650 -2.8856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1067 -0.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8367 1.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7243 -3.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -3.8126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -3.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -4.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 25 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 31 1 0 0 0 0 6 17 2 0 0 0 0 7 30 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 24 2 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 33 1 0 0 0 0 11 45 1 0 0 0 0 12 32 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 28 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 33 46 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 M END $$$$ D00841 -OEChem-05252109492D 27 27 0 0 0 0 0 0 0999 V2000 3.0000 3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0510 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 5.8045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 4.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 6.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 5.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2472 6.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5956 4.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6823 5.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2418 6.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 3.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 M END $$$$ D00845 -OEChem-05252109492D 16 15 0 1 0 0 0 0 0999 V2000 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M CHG 1 2 -1 M END $$$$ D00849 -OEChem-05252109492D 45 48 0 0 0 0 0 0 0999 V2000 2.0000 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -0.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 1.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 42 1 0 0 0 0 3 14 2 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$ D00850 -OEChem-05252109492D 169174 0 1 0 0 0 0 0999 V2000 1.4030 13.0176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 3.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.7692 21.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 11.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9953 22.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 13.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1172 16.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6172 13.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6172 15.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6172 11.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3134 17.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 10.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3134 19.8112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 8.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 14.0176 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.2656 4.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4030 13.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 13.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2656 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2656 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1172 17.8112 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 10.6172 11.7491 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 21.9832 18.3112 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7512 11.2491 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2512 18.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6172 12.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6172 16.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6172 11.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9832 19.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 11.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2512 19.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7512 13.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6172 16.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1172 10.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8492 17.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7512 10.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1172 19.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 12.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6172 16.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1172 12.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8932 19.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 11.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7153 18.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 9.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1011 20.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 13.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9013 20.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 11.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9992 21.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 12.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1172 16.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1172 12.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5813 17.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 10.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7153 19.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8852 8.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4473 18.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 9.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5813 19.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 8.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4473 19.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1531 8.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6172 15.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6172 13.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6172 15.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1172 14.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7731 22.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 11.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1172 14.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1274 22.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 14.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3134 16.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 9.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1794 19.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 7.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3996 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1317 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3996 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1317 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9832 17.6912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2881 10.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6406 18.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0391 17.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2278 12.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8292 13.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5095 16.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1998 16.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5095 11.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1998 11.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0391 19.8938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6406 19.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1497 13.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 13.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0803 16.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9272 16.4083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1541 17.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5803 10.5730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4272 10.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6541 11.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4507 17.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2478 17.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9632 9.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 10.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7249 17.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0346 17.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2249 13.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5346 12.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4265 19.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9984 10.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5607 21.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9984 13.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5813 17.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 10.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1783 19.6212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 8.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5813 20.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 7.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5095 14.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1998 15.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5095 12.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1998 13.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7249 15.8237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0346 15.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2249 14.9577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5346 14.5592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3930 22.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7754 22.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1531 22.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 12.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 12.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 11.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0095 13.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6998 14.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4353 23.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5892 23.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8194 22.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8449 14.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2273 14.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 14.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6933 16.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3134 16.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9334 16.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 10.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 9.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 9.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8694 18.7743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7163 19.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4894 19.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 7.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 6.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9071 7.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8627 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 11.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6686 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8627 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6686 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2656 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 2 0 0 0 0 1 18 2 0 0 0 0 1 76 1 0 0 0 0 2 16 1 0 0 0 0 2 19 2 0 0 0 0 2 20 2 0 0 0 0 2 77 1 0 0 0 0 3 47 1 0 0 0 0 3 67 1 0 0 0 0 4 48 1 0 0 0 0 4 68 1 0 0 0 0 5 49 1 0 0 0 0 5 70 1 0 0 0 0 6 50 1 0 0 0 0 6 71 1 0 0 0 0 7 51 1 0 0 0 0 7 63 1 0 0 0 0 8 52 1 0 0 0 0 8 64 1 0 0 0 0 9 51 2 0 0 0 0 10 52 2 0 0 0 0 11 57 1 0 0 0 0 11 72 1 0 0 0 0 12 58 1 0 0 0 0 12 73 1 0 0 0 0 13 61 1 0 0 0 0 13 74 1 0 0 0 0 14 62 1 0 0 0 0 14 75 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 23 29 1 0 0 0 0 23 35 1 0 0 0 0 23 88 1 0 0 0 0 24 30 1 0 0 0 0 24 36 1 0 0 0 0 24 89 1 0 0 0 0 25 31 1 0 0 0 0 25 90 1 0 0 0 0 25 91 1 0 0 0 0 26 32 1 0 0 0 0 26 92 1 0 0 0 0 26 93 1 0 0 0 0 27 39 1 0 0 0 0 27 94 1 0 0 0 0 27 95 1 0 0 0 0 28 40 1 0 0 0 0 28 96 1 0 0 0 0 28 97 1 0 0 0 0 29 37 1 0 0 0 0 29 41 2 0 0 0 0 30 38 1 0 0 0 0 30 42 2 0 0 0 0 31 37 1 0 0 0 0 31 98 1 0 0 0 0 31 99 1 0 0 0 0 32 38 1 0 0 0 0 32100 1 0 0 0 0 32101 1 0 0 0 0 33102 1 0 0 0 0 33103 1 0 0 0 0 33104 1 0 0 0 0 34105 1 0 0 0 0 34106 1 0 0 0 0 34107 1 0 0 0 0 35 43 1 0 0 0 0 35108 1 0 0 0 0 35109 1 0 0 0 0 36 44 1 0 0 0 0 36110 1 0 0 0 0 36111 1 0 0 0 0 37 45 2 0 0 0 0 38 46 2 0 0 0 0 39 51 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 40 52 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41 47 1 0 0 0 0 41116 1 0 0 0 0 42 48 1 0 0 0 0 42117 1 0 0 0 0 43 53 2 0 0 0 0 43 55 1 0 0 0 0 44 54 2 0 0 0 0 44 56 1 0 0 0 0 45 49 1 0 0 0 0 45118 1 0 0 0 0 46 50 1 0 0 0 0 46119 1 0 0 0 0 47 49 2 0 0 0 0 48 50 2 0 0 0 0 53 57 1 0 0 0 0 53120 1 0 0 0 0 54 58 1 0 0 0 0 54121 1 0 0 0 0 55 59 2 0 0 0 0 55122 1 0 0 0 0 56 60 2 0 0 0 0 56123 1 0 0 0 0 57 61 2 0 0 0 0 58 62 2 0 0 0 0 59 61 1 0 0 0 0 59124 1 0 0 0 0 60 62 1 0 0 0 0 60125 1 0 0 0 0 63 65 1 0 0 0 0 63126 1 0 0 0 0 63127 1 0 0 0 0 64 66 1 0 0 0 0 64128 1 0 0 0 0 64129 1 0 0 0 0 65 69 1 0 0 0 0 65130 1 0 0 0 0 65131 1 0 0 0 0 66 69 1 0 0 0 0 66132 1 0 0 0 0 66133 1 0 0 0 0 67134 1 0 0 0 0 67135 1 0 0 0 0 67136 1 0 0 0 0 68137 1 0 0 0 0 68138 1 0 0 0 0 68139 1 0 0 0 0 69140 1 0 0 0 0 69141 1 0 0 0 0 70142 1 0 0 0 0 70143 1 0 0 0 0 70144 1 0 0 0 0 71145 1 0 0 0 0 71146 1 0 0 0 0 71147 1 0 0 0 0 72148 1 0 0 0 0 72149 1 0 0 0 0 72150 1 0 0 0 0 73151 1 0 0 0 0 73152 1 0 0 0 0 73153 1 0 0 0 0 74154 1 0 0 0 0 74155 1 0 0 0 0 74156 1 0 0 0 0 75157 1 0 0 0 0 75158 1 0 0 0 0 75159 1 0 0 0 0 76 78 2 0 0 0 0 76 80 1 0 0 0 0 77 79 2 0 0 0 0 77 81 1 0 0 0 0 78 82 1 0 0 0 0 78160 1 0 0 0 0 79 83 1 0 0 0 0 79161 1 0 0 0 0 80 84 2 0 0 0 0 80162 1 0 0 0 0 81 85 2 0 0 0 0 81163 1 0 0 0 0 82 86 2 0 0 0 0 82164 1 0 0 0 0 83 87 2 0 0 0 0 83165 1 0 0 0 0 84 86 1 0 0 0 0 84166 1 0 0 0 0 85 87 1 0 0 0 0 85167 1 0 0 0 0 86168 1 0 0 0 0 87169 1 0 0 0 0 M CHG 4 15 -1 16 -1 21 1 22 1 M END $$$$ D00851 -OEChem-05252109492D 44 46 0 1 0 0 0 0 0999 V2000 6.2050 0.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6126 -1.2185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0241 -0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 3.0061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 1.0576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9564 2.0235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8163 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4363 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9897 1.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 -0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3184 -0.9177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4920 -1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0844 -0.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4317 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 -2.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -3.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8996 -3.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8393 -3.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 0.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 2.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 -0.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 0.3710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 1.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 2.1032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 -0.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 -0.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9947 2.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 1.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7188 1.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 4.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 4.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7300 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2107 -0.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6094 0.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3944 0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9066 -1.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1433 -2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4990 -0.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1880 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 -3.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9470 -4.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 1 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 6 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$ D00852 -OEChem-05252109492D 76 81 0 0 0 0 0 0 0999 V2000 3.8354 -2.9387 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 6.4480 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 2.1490 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5212 3.9091 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -7.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -7.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 0.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 5.5272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 3.9091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -3.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 2.1490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 0.5613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -2.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 8.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 4.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 5.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 4.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -5.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -5.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -5.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -4.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9334 3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -6.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 1.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 3.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -2.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 4.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7014 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -1.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 5.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8302 4.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 5.7698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5030 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 7.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 5.9599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 5.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 8.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 8.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 7.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 6.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 8.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 8.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 4.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 5.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7939 3.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 3.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2664 4.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 5.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1044 -6.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -5.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -6.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 -6.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -5.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -3.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -4.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0440 -4.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 -3.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 0.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 5.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -8.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9704 -1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4199 5.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 41 1 0 0 0 0 3 24 1 0 0 0 0 3 33 1 0 0 0 0 4 34 1 0 0 0 0 4 42 1 0 0 0 0 5 31 1 0 0 0 0 5 74 1 0 0 0 0 6 31 2 0 0 0 0 7 39 2 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 32 1 0 0 0 0 11 30 1 0 0 0 0 11 33 2 0 0 0 0 12 33 1 0 0 0 0 12 39 1 0 0 0 0 12 71 1 0 0 0 0 13 32 1 0 0 0 0 13 40 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 30 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 29 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 34 1 0 0 0 0 32 35 2 0 0 0 0 34 36 2 0 0 0 0 35 38 1 0 0 0 0 36 41 1 0 0 0 0 36 72 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 73 1 0 0 0 0 40 75 1 0 0 0 0 41 42 2 0 0 0 0 42 76 1 0 0 0 0 M END $$$$ D00854 -OEChem-05252109492D 29 28 0 0 0 0 0 0 0999 V2000 11.1972 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$ D00855 -OEChem-05252109492D 53 55 0 1 0 0 0 0 0999 V2000 6.6659 0.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 9.8884 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 6.2823 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0678 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8591 6.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 5.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 7.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7156 5.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 7.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0782 6.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 5.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 5.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 4.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9106 5.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 7.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 6.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 4.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0701 4.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8187 7.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 7.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 4.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 5.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1734 7.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 7.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1245 5.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6964 6.4034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0318 6.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 6.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8482 9.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 53 1 0 0 0 0 3 13 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 M END $$$$ D00856 -OEChem-05252109492D 66 70 0 0 0 0 0 0 0999 V2000 12.1183 2.7834 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 8.7106 -2.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5946 2.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 3.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 3.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -2.0697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -3.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2041 2.3783 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 9.9998 1.2977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 -0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -2.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 -1.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7268 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0625 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7053 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3517 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6623 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2106 -3.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0195 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6408 0.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9945 1.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 -0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3087 0.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -3.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3389 2.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -0.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 -0.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 -1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8914 -2.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3127 0.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4766 -1.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8979 0.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -3.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -3.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3182 -4.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8269 -1.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8334 1.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4121 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 0.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9153 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -4.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8306 -3.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2106 -3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -0.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 18 1 0 0 0 0 2 31 1 0 0 0 0 3 29 1 0 0 0 0 3 36 1 0 0 0 0 4 29 2 0 0 0 0 5 39 1 0 0 0 0 5 43 1 0 0 0 0 6 13 1 0 0 0 0 6 41 1 0 0 0 0 7 40 1 0 0 0 0 7 43 1 0 0 0 0 8 41 2 0 0 0 0 9 43 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 12 34 1 0 0 0 0 12 41 1 0 0 0 0 13 34 2 0 0 0 0 14 16 1 0 0 0 0 14 19 2 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 22 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 19 24 1 0 0 0 0 19 29 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 47 1 0 0 0 0 22 28 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 1 0 0 0 0 27 32 2 0 0 0 0 28 52 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 38 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 35 1 0 0 0 0 32 55 1 0 0 0 0 33 37 1 0 0 0 0 33 56 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 36 39 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 39 40 2 0 0 0 0 40 42 1 0 0 0 0 42 64 1 0 0 0 0 42 65 1 0 0 0 0 42 66 1 0 0 0 0 M CHG 2 1 1 12 -1 M END $$$$ D00857 -OEChem-05252109492D 45 46 0 1 0 0 0 0 0999 V2000 3.3328 3.2103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8243 1.8257 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 3.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 3.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 2.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 3.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 2.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4053 -0.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 -3.3470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0384 -2.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0759 2.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 0.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3563 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3243 0.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 0.5656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1283 1.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1269 1.5949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0746 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 1.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -1.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5153 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 -1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1755 -1.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 1.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 -2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1333 0.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5438 1.7495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 1.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9984 1.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 -0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -1.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -2.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 -2.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -2.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3044 -1.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4599 2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6037 -3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5452 0.9805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2133 -0.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 18 2 0 0 0 0 4 35 1 0 0 0 0 7 20 2 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 27 1 0 0 0 0 9 43 1 0 0 0 0 10 27 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 17 12 1 1 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 13 21 2 0 0 0 0 14 23 1 0 0 0 0 14 28 2 0 0 0 0 15 28 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 6 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$ D00858 -OEChem-05252109492D 63 68 0 1 0 0 0 0 0999 V2000 6.8290 4.6185 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 5.1365 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 3.7549 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 0.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -1.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7988 -0.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -3.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 -4.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 1.4279 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1950 -0.0721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 0.9279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3290 2.4279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0890 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0890 -0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2300 2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -0.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 3.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 3.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 4.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9825 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4430 4.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 2.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 2.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 3.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2120 3.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0231 -5.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 1.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 2.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4826 1.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 -1.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4826 -1.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2041 -0.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6059 0.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5762 2.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8204 1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 5.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2704 4.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 1.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5740 4.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 2.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 2.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8038 3.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5016 -1.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1111 -2.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -4.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -5.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3393 -5.6698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 28 1 0 0 0 0 2 32 1 0 0 0 0 3 36 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 7 31 2 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 39 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 15 11 1 1 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 1 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 26 2 0 0 0 0 20 23 2 0 0 0 0 20 27 1 0 0 0 0 21 25 1 0 0 0 0 21 29 2 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 23 32 1 0 0 0 0 24 30 2 0 0 0 0 24 49 1 0 0 0 0 25 33 2 0 0 0 0 26 31 1 0 0 0 0 27 34 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 35 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 33 55 1 0 0 0 0 34 36 1 0 0 0 0 34 56 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 M END $$$$ D00859 -OEChem-05252109492D 43 46 0 0 0 0 0 0 0999 V2000 6.3383 1.9602 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1819 2.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4947 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 1.8038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.7735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3538 4.1594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.5700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 0.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5416 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 2.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 3.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 3.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 0.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2644 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 2.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 2.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 2.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3152 1.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9346 1.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -0.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2632 2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1055 3.2724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -1.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 19 2 0 0 0 0 7 18 3 0 0 0 0 8 21 1 0 0 0 0 8 25 2 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 41 1 0 0 0 0 10 23 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 43 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$ D00861 -OEChem-05252109492D 73 76 0 1 0 0 0 0 0999 V2000 5.0182 -0.1371 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 1.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 -0.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 1.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5079 0.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9427 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1498 1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2548 0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 0.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 1.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 13 2 1 6 0 0 0 2 30 1 0 0 0 0 17 3 1 1 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 5 34 1 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 38 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 24 1 1 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 31 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 M END $$$$ D00866 -OEChem-05252109492D 36 37 0 0 0 0 0 0 0999 V2000 5.4641 1.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$ D00867 -OEChem-05252109492D 60 59 0 0 0 0 0 0 0999 V2000 9.4651 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1613 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6982 0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8513 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6244 0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6244 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4713 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6982 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 58 1 0 0 0 0 2 23 1 0 0 0 0 2 59 1 0 0 0 0 3 24 1 0 0 0 0 3 60 1 0 0 0 0 4 23 2 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 M END $$$$ D00869 -OEChem-05252109492D 46 46 0 0 0 0 0 0 0999 V2000 0.0000 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 7.8426 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 1.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 0.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 4.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1424 2.6953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7260 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3086 3.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 4.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6434 2.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3336 2.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 5.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6456 5.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 5.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8086 2.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1183 3.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4675 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 1.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 7.8426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 46 1 0 0 0 0 4 24 1 0 0 0 0 4 45 1 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 27 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$ D00871 -OEChem-05252109492D 31 32 0 0 0 0 0 0 0999 V2000 2.8660 1.2306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 3.1785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5661 1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 2.5094 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$ D00874 -OEChem-05252109492D 16 16 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ D00875 -OEChem-05252109492D 68 70 0 1 0 0 0 0 0999 V2000 8.2700 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 7.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 7.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5380 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 8.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 9.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 9.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 8.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 9.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 10.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 32 1 0 0 0 0 3 11 1 0 0 0 0 18 3 1 6 0 0 0 4 22 1 0 0 0 0 4 62 1 0 0 0 0 5 22 2 0 0 0 0 6 68 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 21 1 0 0 0 0 10 30 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 19 22 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 34 64 1 0 0 0 0 35 37 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 M END $$$$ D00877 -OEChem-05252109492D 67 71 0 1 0 0 0 0 0999 V2000 8.1698 -1.5276 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1549 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -3.2540 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -1.2649 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -2.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 2.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 -0.5275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 -3.0221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -3.2300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4999 1.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5987 -4.4114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 4.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9378 5.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4378 4.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 3.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 2.4724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1698 1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0358 2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0358 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 2.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0358 3.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0358 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 4.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 3.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 -1.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6339 2.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2103 -3.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -2.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -3.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9045 -4.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0024 -4.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -2.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6966 -5.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 -5.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8556 -3.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2773 3.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4127 5.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 5.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8551 4.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 4.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 2.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 3.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7668 1.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 1.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 1.8524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4989 4.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 -0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9018 5.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3048 4.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 -0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5293 -1.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 -2.7757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -4.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1574 -5.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -5.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3442 -3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5645 -3.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4698 -5.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1884 -4.2198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 38 1 0 0 0 0 5 29 2 0 0 0 0 6 15 1 0 0 0 0 16 6 1 6 0 0 0 6 49 1 0 0 0 0 7 23 1 0 0 0 0 7 29 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 32 1 0 0 0 0 9 34 2 0 0 0 0 10 31 3 0 0 0 0 11 41 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 20 24 2 0 0 0 0 20 52 1 0 0 0 0 21 25 2 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 23 27 2 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 33 2 0 0 0 0 32 35 1 0 0 0 0 32 37 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 38 1 0 0 0 0 35 36 2 0 0 0 0 35 60 1 0 0 0 0 36 39 1 0 0 0 0 36 41 1 0 0 0 0 37 40 1 0 0 0 0 37 61 1 0 0 0 0 39 40 2 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 M END $$$$ D00878 -OEChem-05252109492D 50 52 0 1 0 0 0 0 0999 V2000 4.8515 1.4420 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3674 7.4905 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 4.5008 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 5.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 3.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 5.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 2.4766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 2.4525 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6039 3.4446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0999 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7338 2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 2.7142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2413 3.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 2.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 1.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 2.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4179 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 0.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7338 3.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 2.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 3.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 4.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8399 4.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 4.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 1.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6825 0.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6782 2.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 3.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 3.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0028 2.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4604 0.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7401 1.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4116 2.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 1.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9315 0.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 0.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 0.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8471 5.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 4.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7349 4.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 7.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 50 1 0 0 0 0 3 26 1 0 0 0 0 4 25 2 0 0 0 0 5 28 1 0 0 0 0 5 49 1 0 0 0 0 6 28 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 14 9 1 1 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 22 1 0 0 0 0 13 23 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 24 2 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 23 1 0 0 0 0 19 26 2 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 1 0 0 0 0 22 27 2 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$ D00879 -OEChem-05252109492D 57 60 0 1 0 0 0 0 0999 V2000 5.0182 -0.2293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 11 2 1 6 0 0 0 2 50 1 0 0 0 0 15 3 1 1 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 57 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 6 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 1 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 22 1 1 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 1 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$ D00883 -OEChem-05252109492D 42 44 0 0 0 0 0 0 0999 V2000 4.2690 5.1550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -0.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 0.9597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3166 -2.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 19 2 0 0 0 0 6 27 1 0 0 0 0 6 42 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 10 19 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 28 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$ D00885 -OEChem-05252109492D 186190 0 1 0 0 0 0 0999 V2000 15.2673 12.7172 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7025 15.8079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 21.1791 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 18.6822 11.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 6.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2995 6.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 10.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6263 7.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9380 8.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0096 10.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2136 14.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 16.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 16.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5482 11.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8162 10.6417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.1822 12.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1822 10.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 9.1730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7764 8.7560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 7.6409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1678 10.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3256 9.1016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 11.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1268 12.7582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 14.2902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7544 12.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6372 10.3886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 13.7693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5253 16.1696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 17.7017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7468 13.2706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1472 15.3619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5332 17.9673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 5.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3426 5.1200 0.0000 C 0 0 2 0 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0 0 0 0 0 0 0 5.4768 -4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2798 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4010 -6.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8414 -5.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6344 -5.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2401 -4.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6061 -4.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 0.3415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 2.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 2.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 2 0 0 0 0 2 35 2 0 0 0 0 3 40 2 0 0 0 0 4 45 2 0 0 0 0 5 50 2 0 0 0 0 6 53 1 0 0 0 0 6131 1 0 0 0 0 7 53 2 0 0 0 0 8 54 2 0 0 0 0 9 55 2 0 0 0 0 10 68 2 0 0 0 0 11 25 1 0 0 0 0 11 34 1 0 0 0 0 11 85 1 0 0 0 0 12 26 1 0 0 0 0 12 40 1 0 0 0 0 12 88 1 0 0 0 0 13 29 1 0 0 0 0 13 35 1 0 0 0 0 13 92 1 0 0 0 0 14 31 1 0 0 0 0 14 45 1 0 0 0 0 14 98 1 0 0 0 0 15 36 1 0 0 0 0 15 50 1 0 0 0 0 15106 1 0 0 0 0 38 16 1 6 0 0 0 16 54 1 0 0 0 0 16110 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17111 1 0 0 0 0 18 43 1 0 0 0 0 18 55 1 0 0 0 0 18114 1 0 0 0 0 47 19 1 1 0 0 0 19 68 1 0 0 0 0 19121 1 0 0 0 0 20 59 1 0 0 0 0 20 71 1 0 0 0 0 20126 1 0 0 0 0 21 52 1 0 0 0 0 21 73 2 0 0 0 0 22 66 1 0 0 0 0 22 71 2 0 0 0 0 23 73 1 0 0 0 0 23139 1 0 0 0 0 23140 1 0 0 0 0 24 73 1 0 0 0 0 24141 1 0 0 0 0 24142 1 0 0 0 0 25 27 1 1 0 0 0 25 35 1 0 0 0 0 25 75 1 0 0 0 0 26 28 1 1 0 0 0 26 34 1 0 0 0 0 26 76 1 0 0 0 0 27 32 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 39 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 6 0 0 0 29 81 1 0 0 0 0 30 33 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 6 0 0 0 31 84 1 0 0 0 0 32 42 1 0 0 0 0 32 48 2 0 0 0 0 33 37 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 36 45 1 0 0 0 0 36 46 1 1 0 0 0 36 89 1 0 0 0 0 37 43 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 44 1 0 0 0 0 38 50 1 0 0 0 0 38 93 1 0 0 0 0 39 52 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 41 56 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 49 1 0 0 0 0 42 58 2 0 0 0 0 43 99 1 0 0 0 0 43100 1 0 0 0 0 44 55 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 46 59 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47 51 1 0 0 0 0 47 54 1 0 0 0 0 47105 1 0 0 0 0 48107 1 0 0 0 0 49 60 2 0 0 0 0 51 57 1 0 0 0 0 51108 1 0 0 0 0 51109 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 56 64 2 0 0 0 0 56 65 1 0 0 0 0 57 61 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 58 62 1 0 0 0 0 58117 1 0 0 0 0 59 66 2 0 0 0 0 60 63 1 0 0 0 0 60118 1 0 0 0 0 61 67 1 0 0 0 0 61119 1 0 0 0 0 61120 1 0 0 0 0 62 63 2 0 0 0 0 62122 1 0 0 0 0 63123 1 0 0 0 0 64 69 1 0 0 0 0 64124 1 0 0 0 0 65 70 2 0 0 0 0 65125 1 0 0 0 0 66127 1 0 0 0 0 67128 1 0 0 0 0 67129 1 0 0 0 0 67130 1 0 0 0 0 68 74 1 0 0 0 0 69 72 2 0 0 0 0 69132 1 0 0 0 0 70 72 1 0 0 0 0 70133 1 0 0 0 0 71134 1 0 0 0 0 72135 1 0 0 0 0 74136 1 0 0 0 0 74137 1 0 0 0 0 74138 1 0 0 0 0 M END $$$$ D00890 -OEChem-05252109492D 30 30 0 0 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 1.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 -0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 M CHG 1 2 1 M END $$$$ D00891 -OEChem-05252109492D 57 60 0 1 0 0 0 0 0999 V2000 2.5357 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -0.9507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 -0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.5493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -0.9575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2787 -1.9991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -1.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 0.8540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.7554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 0.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.0064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1857 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.0257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -2.8491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 0.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -2.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -2.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 0.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 0.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -2.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 1.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7709 2.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0364 2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 1 57 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 24 1 6 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 1 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 6 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 1 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 6 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 1 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 M END $$$$ D00892 -OEChem-05252109492D 108112 0 1 0 0 0 0 0999 V2000 12.3923 5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 6.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3923 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4282 -7.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -5.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 7.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 6.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 47 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 48 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 17 1 0 0 0 0 11 24 1 0 0 0 0 11 30 1 0 0 0 0 12 18 2 0 0 0 0 12 25 1 0 0 0 0 12 31 1 0 0 0 0 13 44 1 0 0 0 0 13 53 1 0 0 0 0 13 99 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 26 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 23 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 61 1 0 0 0 0 22 36 2 0 0 0 0 22 37 1 0 0 0 0 23 62 1 0 0 0 0 24 32 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 35 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 28 2 0 0 0 0 26 67 1 0 0 0 0 27 29 2 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 30 38 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 31 39 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 40 2 0 0 0 0 32 45 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 43 2 0 0 0 0 35 46 1 0 0 0 0 36 41 1 0 0 0 0 36 81 1 0 0 0 0 37 42 2 0 0 0 0 37 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 47 1 0 0 0 0 40 89 1 0 0 0 0 41 44 2 0 0 0 0 41 90 1 0 0 0 0 42 44 1 0 0 0 0 42 91 1 0 0 0 0 43 48 1 0 0 0 0 43 92 1 0 0 0 0 45 49 2 0 0 0 0 45 93 1 0 0 0 0 46 50 2 0 0 0 0 46 94 1 0 0 0 0 47 51 2 0 0 0 0 48 52 2 0 0 0 0 49 51 1 0 0 0 0 49 95 1 0 0 0 0 50 52 1 0 0 0 0 50 96 1 0 0 0 0 51 97 1 0 0 0 0 52 98 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54100 1 0 0 0 0 55 57 2 0 0 0 0 55101 1 0 0 0 0 56 58 2 0 0 0 0 56102 1 0 0 0 0 57 58 1 0 0 0 0 57103 1 0 0 0 0 59 60 1 0 0 0 0 59104 1 0 0 0 0 59105 1 0 0 0 0 60106 1 0 0 0 0 60107 1 0 0 0 0 60108 1 0 0 0 0 M CHG 4 3 1 4 -1 7 -1 12 1 M END $$$$ D00893 -OEChem-05252109492D 43 44 0 1 0 0 0 0 0999 V2000 4.6823 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 8.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 5.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 6.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 5.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 8.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 1.0933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 2.4945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 0.9653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 3.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 1.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0016 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 7.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5090 6.9449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2411 6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 1.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 3.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 2.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0418 0.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9503 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2794 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6823 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 7.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 6.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 1.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8841 2.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 8.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 5.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6441 7.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 7.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 22 2 1 1 0 0 0 2 40 1 0 0 0 0 23 3 1 1 0 0 0 3 41 1 0 0 0 0 4 24 1 0 0 0 0 4 42 1 0 0 0 0 5 25 1 0 0 0 0 5 43 1 0 0 0 0 6 24 2 0 0 0 0 7 25 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 18 2 0 0 0 0 11 26 1 0 0 0 0 12 20 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 26 27 2 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$ D00896 -OEChem-05252109492D 51 51 0 1 0 0 0 0 0999 V2000 3.5010 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 7.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 8.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 51 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 42 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 M END $$$$ D00901 -OEChem-05252109492D 69 72 0 1 0 0 0 0 0999 V2000 5.8003 8.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 7.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6642 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 8.5946 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0682 7.1036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9343 7.6036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9343 8.6036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8652 7.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8443 7.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 7.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 8.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0682 9.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 5.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8523 6.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 8.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7203 9.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 10.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 7.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 11.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 10.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 11.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 9.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 7.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 8.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6642 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9321 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3593 9.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 7.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 7.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 6.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 5.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 6.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 7.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5899 8.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 8.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4668 9.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 9.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 5.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3475 5.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0659 5.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4623 6.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 9.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 10.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 9.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 7.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 6.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 11.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 11.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 10.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 9.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 11.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 11.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 9.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 8.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3351 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 53 1 0 0 0 0 2 29 1 0 0 0 0 2 63 1 0 0 0 0 31 3 1 6 0 0 0 3 66 1 0 0 0 0 32 4 1 6 0 0 0 4 67 1 0 0 0 0 5 33 1 0 0 0 0 5 68 1 0 0 0 0 6 34 1 0 0 0 0 6 69 1 0 0 0 0 7 33 2 0 0 0 0 8 34 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 1 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 1 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 29 2 0 0 0 0 24 54 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 M END $$$$ D00902 -OEChem-05252109492D 117122 0 1 0 0 0 0 0999 V2000 5.4524 -6.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 -4.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3099 -3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 -3.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 0.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 -5.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7287 -2.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6669 1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8904 4.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5635 4.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1152 3.0229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4797 -3.5934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6315 -4.6239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5558 -3.2107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8101 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0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.7406 4.9480 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.0814 6.4320 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3980 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.1300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7327 -0.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0786 -1.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0824 0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0702 4.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 3.5618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4259 2.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9986 5.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4826 4.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7518 7.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3394 7.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8234 5.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -3.5687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.7640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2706 -0.7014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2724 0.2986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3191 -1.0087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3219 0.6093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0145 1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 5.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8236 -0.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1765 0.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7567 -1.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7097 0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 2.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4666 1.2708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6455 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6484 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 -2.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -4.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -5.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7892 3.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -6.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -6.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.7389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4086 5.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5613 7.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4694 7.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -7.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -7.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 39 1 0 0 0 0 3 37 1 0 0 0 0 3 41 1 0 0 0 0 4 40 1 0 0 0 0 4 44 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 6 39 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 2 0 0 0 0 7 39 1 0 0 0 0 8 43 1 0 0 0 0 9 43 1 0 0 0 0 10 43 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 28 12 1 1 0 0 0 12 51 1 0 0 0 0 29 13 1 1 0 0 0 13 52 1 0 0 0 0 14 32 1 0 0 0 0 16 57 1 0 0 0 0 18 64 1 0 0 0 0 20 65 1 0 0 0 0 21 66 1 0 0 0 0 30 23 1 6 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 24 34 2 0 0 0 0 24 35 1 0 0 0 0 25 33 2 0 0 0 0 25 37 1 0 0 0 0 26 36 1 0 0 0 0 26 37 2 0 0 0 0 27 36 1 0 0 0 0 27 38 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 32 1 6 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 35 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 38 40 1 0 0 0 0 38 55 1 0 0 0 0 38 56 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 42 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 42 43 1 0 0 0 0 42 62 1 0 0 0 0 42 63 1 0 0 0 0 44 67 1 0 0 0 0 44 68 1 0 0 0 0 44 69 1 0 0 0 0 M END $$$$ D00909 -OEChem-05252109492D 53 54 0 1 0 0 0 0 0999 V2000 2.5369 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 0.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 3.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4618 4.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 2.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 2.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0444 3.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 4.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 4.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5506 1.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 2.5153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3319 0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 47 1 0 0 0 0 2 12 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 1 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 1 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 2 0 0 0 0 7 30 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 19 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 M END $$$$ D00910 -OEChem-05252109492D 48 52 0 0 0 0 0 0 0999 V2000 2.0000 1.1133 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 2.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 -2.3569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 -1.4064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 -3.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 -2.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -4.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 3.3462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6413 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7753 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5073 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -2.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5073 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2394 -3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -4.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -1.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -2.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 0.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 -2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0394 -3.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3357 2.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 4.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0398 -1.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2428 -1.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1337 -4.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9704 -4.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 -4.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 -1.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1262 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 -0.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 0.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 1.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 -2.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 -4.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 4.4893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 4.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 4.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 30 2 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 17 2 0 0 0 0 5 13 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 21 2 0 0 0 0 7 18 1 0 0 0 0 7 29 2 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 23 26 1 0 0 0 0 23 40 1 0 0 0 0 24 27 2 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$ D00911 -OEChem-05252109502D 49 49 0 0 0 0 0 0 0999 V2000 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 46 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 11 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 0 0 0 0 10 12 2 0 0 0 0 10 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 M END $$$$ D00912 -OEChem-05252109502D 26 24 0 0 0 0 0 0 0999 V2000 2.8850 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7331 4.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 5.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$ D00913 -OEChem-05252109502D 25 22 0 0 0 0 0 0 0999 V2000 3.7320 0.9641 0.0000 Pt 0 2 0 0 0 0 0 0 0 0 0 0 4.5981 0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.8301 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.8301 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 -2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 -1.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 -1.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5865 -2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 -2.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 -2.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 1.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 1.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M CHG 3 1 2 6 -1 7 -1 M END $$$$ D00914 -OEChem-05252109502D 81 80 0 1 0 0 0 0 0999 V2000 5.4820 0.5664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3298 2.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 5.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 5.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0544 4.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 12.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1930 14.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 16.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 13.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 2.3265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5698 2.9143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0698 1.3754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3788 2.3265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0698 1.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8097 2.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 3.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4358 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4358 5.4143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4358 6.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1155 2.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 5.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 6.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3018 7.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 8.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 4.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 9.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 14.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 13.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3269 14.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 15.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3224 1.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1222 3.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 0.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4758 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0050 0.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6762 1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1008 3.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 3.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0328 4.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7906 2.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9727 4.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1955 1.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2238 6.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8252 6.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 1.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 6.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 5.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 6.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9124 7.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5272 3.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9939 3.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 5.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0898 8.4969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6912 7.8066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3369 3.5409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8702 2.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3799 7.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7784 8.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 4.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 5.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7878 9.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 10.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5478 9.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 13.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 13.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 15.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 15.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 15.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 14.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 14.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 13.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 12.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 14.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 16.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 44 1 0 0 0 0 13 2 1 6 0 0 0 2 45 1 0 0 0 0 19 3 1 1 0 0 0 3 58 1 0 0 0 0 4 30 1 0 0 0 0 4 76 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 79 1 0 0 0 0 7 33 1 0 0 0 0 7 80 1 0 0 0 0 8 34 1 0 0 0 0 8 81 1 0 0 0 0 9 31 1 0 0 0 0 9 77 1 0 0 0 0 9 78 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 30 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 M END $$$$ D00915 -OEChem-05252109502D 109112 0 1 0 0 0 0 0999 V2000 4.4641 5.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9641 6.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 6.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 6.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 5.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 6.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 5.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 5.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 0.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -3.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -2.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -4.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -5.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -4.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -6.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -6.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 2 0 0 0 0 3 20 2 0 0 0 0 4 27 2 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 31 2 0 0 0 0 7 41 2 0 0 0 0 15 8 1 1 0 0 0 8 20 1 0 0 0 0 8 62 1 0 0 0 0 21 9 1 1 0 0 0 9 27 1 0 0 0 0 9 73 1 0 0 0 0 25 10 1 6 0 0 0 10 31 1 0 0 0 0 10 77 1 0 0 0 0 30 11 1 1 0 0 0 11 41 1 0 0 0 0 11 87 1 0 0 0 0 12 36 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 1 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 29 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 70 1 0 0 0 0 26 28 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 28 76 1 0 0 0 0 29 37 2 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 78 1 0 0 0 0 32 35 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 44 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 41 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 45 1 0 0 0 0 37 92 1 0 0 0 0 38 46 2 0 0 0 0 38 93 1 0 0 0 0 39 42 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 43 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44 48 2 0 0 0 0 44 49 1 0 0 0 0 45 47 2 0 0 0 0 45102 1 0 0 0 0 46 47 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 48 50 1 0 0 0 0 48105 1 0 0 0 0 49 51 2 0 0 0 0 49106 1 0 0 0 0 50 52 2 0 0 0 0 50107 1 0 0 0 0 51 52 1 0 0 0 0 51108 1 0 0 0 0 52109 1 0 0 0 0 M END $$$$ D00916 -OEChem-05252109502D 23 22 0 1 0 0 0 0 0999 V2000 6.8671 1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 8 6 1 6 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 13 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ D00918 -OEChem-05252109502D 21 20 0 0 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 10 2 0 0 0 0 4 7 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ D00919 -OEChem-05252109502D 47 47 0 1 0 0 0 0 0999 V2000 9.4503 4.0539 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9509 3.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 5.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4314 0.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2537 6.7090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 0.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 7.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 5.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 5.1991 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5333 7.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 6.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5654 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9394 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6328 5.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 5.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 7.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1095 5.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 8.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 7.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 7.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 8.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 8.3954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 6.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5673 5.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 6.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 4.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 3.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0979 3.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 3.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1759 2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 2.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6993 0.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9465 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 6.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4976 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4503 4.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 3 45 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 42 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$ D00920 -OEChem-05252109502D 63 63 0 1 0 0 0 0 0999 V2000 8.0556 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0369 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 6.7890 5.9524 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 5.4568 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 8.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 9.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 9.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5962 6.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 4.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5556 12.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 7.4524 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.6550 7.4524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3689 5.7397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7802 4.3225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3678 6.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9972 7.1991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 7.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 6.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0569 7.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 6.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0218 5.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 8.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 7.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 6.4524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6633 6.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7890 7.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 6.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 7.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 8.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3354 5.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 5.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0075 5.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7834 4.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3663 6.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5530 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 7.8611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 7.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 6.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 6.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4555 8.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6584 8.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 6.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 5.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 5.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5234 5.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5894 8.5594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 9.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 8.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8733 5.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4243 5.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7109 5.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 5.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6550 10.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7496 4.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9544 3.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 2.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1515 2.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6094 7.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7762 7.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0925 12.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0186 12.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0556 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 63 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 28 2 0 0 0 0 6 29 1 0 0 0 0 6 54 1 0 0 0 0 7 29 2 0 0 0 0 8 30 2 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 22 1 0 0 0 0 12 24 1 0 0 0 0 12 26 1 0 0 0 0 12 28 1 0 0 0 0 25 13 1 1 0 0 0 13 30 1 0 0 0 0 13 53 1 0 0 0 0 14 31 2 0 0 0 0 15 32 1 0 0 0 0 15 34 2 0 0 0 0 16 34 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 6 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 M CHG 2 2 -1 11 1 M END $$$$ D00921 -OEChem-05252109502D 84 88 0 1 0 0 0 0 0999 V2000 4.9076 3.8856 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 -1.5270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1715 -2.0226 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9173 0.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 1.9730 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4713 1.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 1.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1445 -0.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3621 -3.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 5.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 6.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5462 -6.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8741 -5.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7392 -0.0270 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2033 -0.0270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 2.2383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9173 -1.7397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3286 -3.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9161 -1.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5456 -0.2803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7611 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2392 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 -1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 -0.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 -1.0270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3373 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 -1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2116 -1.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2116 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3373 1.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 2.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2134 3.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5894 -2.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 4.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 3.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 -1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 5.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 4.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 5.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3317 -2.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1013 -4.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9146 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0667 -4.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1359 -4.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 -5.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6963 0.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 -0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6541 -1.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -0.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0501 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4650 -1.8191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 -2.1731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 -2.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1510 0.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6176 1.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9606 1.2385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4216 -1.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8607 -0.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2592 -1.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7847 -0.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7556 -2.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 3.4196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 5.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2980 -3.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 6.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 -5.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6653 -4.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2284 -4.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2976 -3.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5374 -3.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9742 -4.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1577 -0.3785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3246 0.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3845 -6.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 29 1 0 0 0 0 2 31 1 0 0 0 0 3 45 1 0 0 0 0 3 47 1 0 0 0 0 4 33 2 0 0 0 0 5 34 1 0 0 0 0 6 34 2 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 18 1 0 0 0 0 9 46 1 0 0 0 0 10 42 1 0 0 0 0 10 74 1 0 0 0 0 11 44 1 0 0 0 0 11 75 1 0 0 0 0 12 50 1 0 0 0 0 12 84 1 0 0 0 0 13 50 2 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 33 1 0 0 0 0 16 28 1 0 0 0 0 16 35 1 0 0 0 0 16 69 1 0 0 0 0 32 17 1 1 0 0 0 17 36 1 0 0 0 0 17 70 1 0 0 0 0 18 38 2 0 0 0 0 19 41 1 0 0 0 0 19 47 2 0 0 0 0 20 47 1 0 0 0 0 20 82 1 0 0 0 0 20 83 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 6 0 0 0 30 34 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 40 43 2 0 0 0 0 40 71 1 0 0 0 0 41 45 2 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 72 1 0 0 0 0 45 73 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 46 50 1 0 0 0 0 48 76 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 49 79 1 0 0 0 0 49 80 1 0 0 0 0 49 81 1 0 0 0 0 M CHG 2 5 -1 14 1 M END $$$$ D00922 -OEChem-05252109502D 71 74 0 1 0 0 0 0 0999 V2000 7.0468 1.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.7042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.7042 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.6267 3.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8540 2.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 4.7042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9128 4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7101 -0.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8108 -1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 -3.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1647 1.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 0.9915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 -0.4256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4829 -2.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9613 -4.0303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.7975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 4.1988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.7042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 1.7001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 2.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5932 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 0.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0468 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2653 0.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7437 -1.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 -2.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9277 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5261 1.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9710 0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 -2.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2556 -3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 -4.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4926 2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9374 0.3449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1982 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4061 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 0.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6821 1.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 0.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 1.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 1.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 3.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7363 0.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 -0.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7499 -3.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5452 -2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9805 -4.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5453 -3.8288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0886 2.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8093 -0.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 -4.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3438 -5.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6543 2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3749 -0.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 -6.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8436 -6.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8454 -5.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 1.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 1.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3264 2.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 2 39 1 0 0 0 0 4 23 2 0 0 0 0 5 27 2 0 0 0 0 6 30 1 0 0 0 0 7 30 2 0 0 0 0 8 32 2 0 0 0 0 9 37 2 0 0 0 0 10 38 2 0 0 0 0 11 43 1 0 0 0 0 11 71 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 22 13 1 1 0 0 0 13 27 1 0 0 0 0 13 48 1 0 0 0 0 29 14 1 1 0 0 0 14 32 1 0 0 0 0 14 54 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 37 1 0 0 0 0 16 34 1 0 0 0 0 16 38 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 39 2 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 6 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 35 41 1 0 0 0 0 35 59 1 0 0 0 0 36 42 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 40 44 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 43 2 0 0 0 0 41 63 1 0 0 0 0 42 43 1 0 0 0 0 42 64 1 0 0 0 0 44 65 1 0 0 0 0 44 66 1 0 0 0 0 44 67 1 0 0 0 0 45 68 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$ D00923 -OEChem-05252109502D 47 48 0 1 0 0 0 0 0999 V2000 6.3301 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1643 -1.3196 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9101 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3549 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3214 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9089 -0.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5384 0.4227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3245 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9075 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0941 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2908 -2.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1505 0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 24 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 27 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 17 12 1 1 0 0 0 12 24 1 0 0 0 0 12 36 1 0 0 0 0 13 25 2 0 0 0 0 14 26 1 0 0 0 0 14 30 2 0 0 0 0 15 30 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 6 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 45 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$ D00924 -OEChem-05252109502D 53 54 0 1 0 0 0 0 0999 V2000 7.0468 -1.5623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.0623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4214 -0.9377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4193 -1.9397 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 2.4045 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.1808 2.9376 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9190 -2.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 0.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9175 -2.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.9376 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9128 1.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3521 -1.4613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5816 1.4380 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.9077 0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9211 -1.0686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.4322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8039 0.2108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9211 -1.0665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9128 -1.0623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9211 -0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4193 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -2.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4193 -1.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 -0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1299 -0.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0953 -0.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8731 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1311 -1.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2322 -0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 -0.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9687 -1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 0.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 0.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7431 -2.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5144 -2.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3609 -3.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4172 -2.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6362 1.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 2.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 2.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4024 0.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6446 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 27 1 0 0 0 0 2 29 1 0 0 0 0 2 34 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 22 7 1 6 0 0 0 7 31 1 0 0 0 0 8 24 2 0 0 0 0 9 28 2 0 0 0 0 10 30 1 0 0 0 0 11 30 2 0 0 0 0 12 36 2 0 0 0 0 13 37 1 0 0 0 0 14 37 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 34 2 0 0 0 0 19 20 2 0 0 0 0 21 36 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 6 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 32 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 33 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 49 1 0 0 0 0 38 50 1 0 0 0 0 38 51 1 0 0 0 0 M CHG 4 5 1 6 1 10 -1 13 -1 M END $$$$ D00925 -OEChem-05252109502D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.8371 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 -2.9922 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6629 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.7393 -1.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 1.3756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6629 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7378 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 -0.3433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7414 -0.3413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 -1.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8723 -1.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2396 -1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7378 -2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7321 -2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9380 -3.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0710 -3.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -1.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0525 0.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 -1.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 -2.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1812 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8226 -1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -0.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1479 -1.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5039 -3.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0049 -4.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 25 1 0 0 0 0 2 29 1 0 0 0 0 14 4 1 6 0 0 0 4 23 1 0 0 0 0 5 16 2 0 0 0 0 6 20 1 0 0 0 0 6 27 1 0 0 0 0 7 22 1 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 27 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 12 31 1 0 0 0 0 13 27 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 6 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 2 3 1 7 -1 M END $$$$ D00927 -OEChem-05252109502D 64 68 0 1 0 0 0 0 0999 V2000 7.4888 0.0303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 2.0303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 1.9370 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3229 -0.4653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6844 1.1186 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 2.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.5303 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3548 3.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5136 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6717 0.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8428 2.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5259 0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.5303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0687 -0.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4800 -1.5995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 0.5358 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 0.5555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4831 -1.0082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.4128 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.6970 1.2770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 0.5303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3630 0.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3630 1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 3.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0352 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7408 -0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7073 -0.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0661 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2528 -2.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -3.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9584 -3.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5731 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9361 0.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9070 -0.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 0.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4107 -0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 1.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -1.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -0.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6914 -2.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8961 -3.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -2.8098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4760 1.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 -3.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 -3.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 -3.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 -3.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3959 -3.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 -3.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0629 1.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 2.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 19 1 0 0 0 0 4 36 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 5 21 1 0 0 0 0 6 24 2 0 0 0 0 7 28 1 0 0 0 0 8 28 2 0 0 0 0 9 29 2 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 11 63 1 0 0 0 0 12 64 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 23 15 1 1 0 0 0 15 29 1 0 0 0 0 15 46 1 0 0 0 0 16 30 2 0 0 0 0 17 31 2 0 0 0 0 17 33 1 0 0 0 0 18 32 1 0 0 0 0 18 36 2 0 0 0 0 19 32 2 0 0 0 0 20 40 2 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 36 1 0 0 0 0 21 56 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 6 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 49 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 37 40 1 0 0 0 0 37 50 1 0 0 0 0 38 41 2 0 0 0 0 38 51 1 0 0 0 0 39 43 1 0 0 0 0 39 52 1 0 0 0 0 39 53 1 0 0 0 0 40 54 1 0 0 0 0 41 55 1 0 0 0 0 42 57 1 0 0 0 0 42 58 1 0 0 0 0 42 59 1 0 0 0 0 43 60 1 0 0 0 0 43 61 1 0 0 0 0 43 62 1 0 0 0 0 M CHG 2 7 -1 20 1 M END $$$$ D00929 -OEChem-05252109502D 54 56 0 1 0 0 0 0 0999 V2000 8.0622 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6760 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6395 -0.3531 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.6421 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0566 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8292 -1.6799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9365 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9365 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6086 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3142 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2807 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6410 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8262 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1465 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6975 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4804 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3044 0.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6645 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4247 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3118 -1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9249 -2.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 32 1 0 0 0 0 3 36 1 0 0 0 0 5 22 2 0 0 0 0 6 27 1 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 15 1 0 0 0 0 9 37 1 0 0 0 0 10 34 2 0 0 0 0 11 35 2 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 21 13 1 1 0 0 0 13 28 1 0 0 0 0 13 42 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 14 33 1 0 0 0 0 15 29 2 0 0 0 0 16 30 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 46 1 0 0 0 0 18 31 1 0 0 0 0 18 36 2 0 0 0 0 19 36 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 6 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 32 45 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 35 1 0 0 0 0 37 50 1 0 0 0 0 37 51 1 0 0 0 0 37 52 1 0 0 0 0 M CHG 2 4 1 6 -1 M END $$$$ D00930 -OEChem-05252109502D 57 59 0 1 0 0 0 0 0999 V2000 6.8671 -1.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 0.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6743 -0.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4459 -1.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8919 -3.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -2.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -3.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 -1.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4135 -1.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1191 -2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0856 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8614 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 -2.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6311 -4.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -2.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 -1.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2853 -2.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 3.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8277 -3.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 -2.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8356 -0.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 5.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 4.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -4.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 -5.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2296 -4.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 21 1 0 0 0 0 2 18 2 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 26 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 10 28 2 0 0 0 0 11 33 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 17 13 1 1 0 0 0 13 24 1 0 0 0 0 13 40 1 0 0 0 0 14 25 2 0 0 0 0 15 28 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 6 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 43 1 0 0 0 0 27 30 2 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$ D00931 -OEChem-05252109502D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.8240 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6760 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.4470 1.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6760 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 2.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6743 0.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8614 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8919 -2.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4470 -1.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 -2.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 -0.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7414 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4135 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1191 -1.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0856 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4459 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4444 -0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6311 -3.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 -1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2853 -1.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1093 0.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8356 0.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2796 -1.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -3.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 -4.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2296 -3.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 23 2 0 0 0 0 8 25 1 0 0 0 0 8 29 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 10 26 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 16 12 1 1 0 0 0 12 23 1 0 0 0 0 12 35 1 0 0 0 0 13 24 2 0 0 0 0 14 26 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 6 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 29 40 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ D00934 -OEChem-05252109502D 28 29 0 1 0 0 0 0 0999 V2000 2.0000 -1.0194 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 3.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 9 2 1 6 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 18 2 0 0 0 0 6 7 2 0 0 0 0 7 18 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$ D00935 -OEChem-05252109502D 45 47 0 1 0 0 0 0 0999 V2000 6.3301 -0.6649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5486 -1.0725 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 1.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1373 0.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.8777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 -3.1982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -0.1691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2543 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2208 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 -2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9264 -2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6991 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 -1.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0736 -1.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 -1.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3825 -0.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3943 -2.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5256 -2.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5375 -4.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 19 1 0 0 0 0 5 38 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 22 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 13 10 1 1 0 0 0 10 20 1 0 0 0 0 10 33 1 0 0 0 0 11 27 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 6 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$ D00940 -OEChem-05252109502D 39 38 0 0 0 0 0 0 0999 V2000 3.0000 3.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4650 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 7.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7101 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 39 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 13 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 17 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M END $$$$ D00941 -OEChem-05252109502D 18 19 0 0 0 0 0 0 0999 V2000 3.7320 2.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.8797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 M END $$$$ D00942 -OEChem-05252109502D 52 53 0 1 0 0 0 0 0999 V2000 6.3301 3.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 7 17 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 44 1 0 0 0 0 17 20 2 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 M CHG 1 1 1 M END $$$$ D00943 -OEChem-05252109502D 69 72 0 1 0 0 0 0 0999 V2000 7.0628 1.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -3.0540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.0226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.5226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.2821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.4774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.5710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.5641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4586 -0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.5783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 -2.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.5967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9578 -3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 3.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 3.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 59 1 0 0 0 0 16 2 1 6 0 0 0 2 62 1 0 0 0 0 25 3 1 6 0 0 0 3 66 1 0 0 0 0 4 29 1 0 0 0 0 4 69 1 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 1 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 6 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 1 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 37 1 1 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 6 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M END $$$$ D00944 -OEChem-05252109502D 21 20 0 0 0 0 0 0 0999 V2000 6.0010 0.5855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0855 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4145 0.0000 C -1 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 M CHG 1 2 1 M ISO 1 4 11 M END $$$$ D00945 -OEChem-05252109502D 32 33 0 0 0 0 0 0 0999 V2000 5.4641 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 32 1 0 0 0 0 2 13 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ D00946 -OEChem-05252109502D 32 32 0 1 0 0 0 0 0999 V2000 3.4030 -3.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 11 2 1 6 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 7 16 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 16 1 0 0 0 0 9 18 2 0 0 0 0 10 18 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$ D00947 -OEChem-05252109502D 29 31 0 0 0 0 0 0 0999 V2000 8.7460 -0.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7460 1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 2.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -0.7797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3297 0.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 -0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7905 0.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -2.8229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$ D00949 -OEChem-05252109502D 139144 0 1 0 0 0 0 0999 V2000 2.8680 -3.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4161 6.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6422 7.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2641 -1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7641 1.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2641 -3.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2641 0.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -4.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9603 2.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -6.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9603 4.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.3140 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0 17.7641 2.7481 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0 6.3981 -3.8140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6301 3.2481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 -2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8981 3.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2641 1.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -3.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6301 4.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8981 4.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -4.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2641 1.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -4.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4961 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7641 4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7641 -2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2641 1.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -3.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5401 4.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3622 3.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7480 5.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5482 5.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6461 6.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7641 -2.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7641 1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2282 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -6.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3622 4.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0942 3.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -6.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2282 4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -6.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0942 4.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2641 -1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2641 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7641 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2641 0.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4200 7.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7641 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7743 7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -5.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9603 1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -7.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8263 4.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -4.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6301 2.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 -2.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -1.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2875 3.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6860 2.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1564 -3.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8467 -3.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1564 1.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8467 1.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -1.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 -1.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6860 4.8307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2875 4.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2272 -4.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0741 -4.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 -3.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7272 1.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5741 1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8010 2.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 -5.3966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 -4.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0976 2.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8947 2.2732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8718 -1.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1815 -2.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3718 2.4927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6815 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -4.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0734 4.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -1.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2076 6.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2282 2.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -6.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8252 4.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -7.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2282 5.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1564 -2.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8467 -1.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1564 -0.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8467 -0.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8718 -0.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1815 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 0.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6815 0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -3.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0399 7.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4223 7.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 7.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6564 -1.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 -0.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -0.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2518 -0.7875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0822 8.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2361 8.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4663 7.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -4.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -5.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -5.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3403 1.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9603 1.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5803 1.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -7.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -8.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -7.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5163 3.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3632 3.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1363 4.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 59 1 0 0 0 0 2 40 1 0 0 0 0 2 60 1 0 0 0 0 3 41 1 0 0 0 0 3 62 1 0 0 0 0 4 42 1 0 0 0 0 4 63 1 0 0 0 0 5 43 1 0 0 0 0 5 55 1 0 0 0 0 6 44 1 0 0 0 0 6 56 1 0 0 0 0 7 43 2 0 0 0 0 8 44 2 0 0 0 0 9 49 1 0 0 0 0 9 64 1 0 0 0 0 10 50 1 0 0 0 0 10 65 1 0 0 0 0 11 53 1 0 0 0 0 11 66 1 0 0 0 0 12 54 1 0 0 0 0 12 67 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 1 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 26 1 6 0 0 0 15 21 1 0 0 0 0 15 27 1 6 0 0 0 15 68 1 0 0 0 0 16 22 1 0 0 0 0 16 28 1 1 0 0 0 16 69 1 0 0 0 0 17 23 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 24 1 0 0 0 0 18 72 1 0 0 0 0 18 73 1 0 0 0 0 19 31 1 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 20 32 1 0 0 0 0 20 76 1 0 0 0 0 20 77 1 0 0 0 0 21 29 1 0 0 0 0 21 33 2 0 0 0 0 22 30 1 0 0 0 0 22 34 2 0 0 0 0 23 29 1 0 0 0 0 23 78 1 0 0 0 0 23 79 1 0 0 0 0 24 30 1 0 0 0 0 24 80 1 0 0 0 0 24 81 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 26 87 1 0 0 0 0 27 35 1 0 0 0 0 27 88 1 0 0 0 0 27 89 1 0 0 0 0 28 36 1 0 0 0 0 28 90 1 0 0 0 0 28 91 1 0 0 0 0 29 37 2 0 0 0 0 30 38 2 0 0 0 0 31 43 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 44 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 39 1 0 0 0 0 33 96 1 0 0 0 0 34 40 1 0 0 0 0 34 97 1 0 0 0 0 35 45 2 0 0 0 0 35 47 1 0 0 0 0 36 46 2 0 0 0 0 36 48 1 0 0 0 0 37 41 1 0 0 0 0 37 98 1 0 0 0 0 38 42 1 0 0 0 0 38 99 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 45 49 1 0 0 0 0 45100 1 0 0 0 0 46 50 1 0 0 0 0 46101 1 0 0 0 0 47 51 2 0 0 0 0 47102 1 0 0 0 0 48 52 2 0 0 0 0 48103 1 0 0 0 0 49 53 2 0 0 0 0 50 54 2 0 0 0 0 51 53 1 0 0 0 0 51104 1 0 0 0 0 52 54 1 0 0 0 0 52105 1 0 0 0 0 55 57 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 56 58 1 0 0 0 0 56108 1 0 0 0 0 56109 1 0 0 0 0 57 61 1 0 0 0 0 57110 1 0 0 0 0 57111 1 0 0 0 0 58 61 1 0 0 0 0 58112 1 0 0 0 0 58113 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 59116 1 0 0 0 0 60117 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 61120 1 0 0 0 0 61121 1 0 0 0 0 62122 1 0 0 0 0 62123 1 0 0 0 0 62124 1 0 0 0 0 63125 1 0 0 0 0 63126 1 0 0 0 0 63127 1 0 0 0 0 64128 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 65131 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 66134 1 0 0 0 0 66135 1 0 0 0 0 66136 1 0 0 0 0 67137 1 0 0 0 0 67138 1 0 0 0 0 67139 1 0 0 0 0 M CHG 2 13 1 14 1 M END $$$$ D00950 -OEChem-05252109502D 11 8 0 0 0 0 0 0 0999 V2000 0.8660 1.6800 0.0000 Pt 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.1800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ D00951 -OEChem-05252109502D 31 33 0 1 0 0 0 0 0999 V2000 2.0000 -0.6734 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 0.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 1.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 3.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.4782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8083 1.3892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8066 0.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 1.6999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5504 2.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9344 -0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 0.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 3.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 2.3613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.6734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 1.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0302 3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 11 3 1 1 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 10 5 1 6 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 6 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 M END $$$$ D00952 -OEChem-05252109502D 63 66 0 1 0 0 0 0 0999 V2000 8.0319 1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -0.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -1.4100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -0.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -0.5765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 -0.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2786 -0.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 27 1 0 0 0 0 2 22 2 0 0 0 0 3 26 1 0 0 0 0 3 60 1 0 0 0 0 4 25 2 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 6 0 0 0 10 15 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 1 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 M END $$$$ D00953 -OEChem-05252109502D 53 54 0 1 0 0 0 0 0999 V2000 11.6451 1.4836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1691 0.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 19 1 0 0 0 0 4 26 1 0 0 0 0 5 16 2 0 0 0 0 6 19 2 0 0 0 0 7 25 1 0 0 0 0 7 29 1 0 0 0 0 8 29 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$ D00954 -OEChem-05252109502D 64 67 0 1 0 0 0 0 0999 V2000 10.8722 1.1660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -0.1371 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.3532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 1.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.4032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.4100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.8225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.4453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.5493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 11 2 1 6 0 0 0 12 3 1 6 0 0 0 3 29 1 0 0 0 0 16 4 1 1 0 0 0 4 55 1 0 0 0 0 5 22 2 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 6 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 34 1 1 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 23 1 1 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END $$$$ D00955 -OEChem-05252109502D 70 73 0 1 0 0 0 0 0999 V2000 5.0182 -0.4590 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -4.2942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 1.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 2.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5855 1.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.0797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -2.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 1.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2283 3.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 4.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1788 3.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2778 3.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 0.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -3.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.2053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 0.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2423 1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1283 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7316 4.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9496 4.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9862 2.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7681 2.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 3.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4704 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6885 3.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0852 3.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 20 2 1 6 0 0 0 16 3 1 1 0 0 0 3 57 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 6 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 1 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 1 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 23 1 6 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 M END $$$$ D00956 -OEChem-05252109502D 55 59 0 0 0 0 0 0 0999 V2000 4.6660 5.0121 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 -5.0121 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 1.0362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 -2.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 2.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 2.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 -2.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 -2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 -3.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3205 -3.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1846 -4.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 1.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 -0.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 2.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3685 2.0038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5921 2.8516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7443 3.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6323 3.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7862 2.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0164 1.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 3.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 3.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5945 -2.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7886 -2.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5883 -3.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7824 -3.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 11 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 2 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 36 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 26 1 0 0 0 0 19 40 1 0 0 0 0 20 27 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$ D00957 -OEChem-05252109502D 78 79 0 0 0 0 0 0 0999 V2000 8.8070 8.0369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 4.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 5.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 7.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 5.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3395 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0624 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 2.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 6.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 5.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 7.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 7.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 4.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 7.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 8.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 9.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 9.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 8.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 12.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 65 1 0 0 0 0 4 23 1 0 0 0 0 4 68 1 0 0 0 0 5 23 2 0 0 0 0 6 29 1 0 0 0 0 6 74 1 0 0 0 0 7 30 1 0 0 0 0 7 75 1 0 0 0 0 8 29 2 0 0 0 0 9 30 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 16 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 17 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 29 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 30 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 31 2 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 25 27 2 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 27 64 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 31 32 1 0 0 0 0 32 37 2 0 0 0 0 32 38 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 39 2 0 0 0 0 35 69 1 0 0 0 0 36 39 1 0 0 0 0 36 70 1 0 0 0 0 37 40 1 0 0 0 0 37 71 1 0 0 0 0 38 41 2 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 M END $$$$ D00959 -OEChem-05252109502D 42 45 0 0 0 0 0 0 0999 V2000 3.2680 -1.7694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -1.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 1.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3987 1.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 3.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -1.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -3.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 0.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 17 2 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 11 20 1 0 0 0 0 11 28 1 0 0 0 0 12 21 2 0 0 0 0 12 29 1 0 0 0 0 13 22 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 17 34 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 24 2 0 0 0 0 19 36 1 0 0 0 0 20 25 2 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$ D00960 -OEChem-05252109502D 47 50 0 1 0 0 0 0 0999 V2000 3.7111 3.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 0.0310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 -1.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -3.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.6240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -1.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 0.4347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 2.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -0.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3687 -0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 -1.5870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8216 -0.2738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8216 -1.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -0.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0899 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 2.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 3.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.5618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -2.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 0.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 0.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 -1.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -1.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 1.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 -3.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -0.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 1.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 4.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 1.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 3.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 40 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 14 9 1 1 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 10 21 2 0 0 0 0 11 14 1 0 0 0 0 11 30 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 6 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$ D00962 -OEChem-05252109502D 38 36 0 0 0 0 0 0 0999 V2000 5.2331 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 M END $$$$ D00965 -OEChem-05252109502D 63 67 0 0 0 0 0 0 0999 V2000 10.5274 6.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 2.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 0.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7915 5.4259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.6922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -6.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7953 6.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 4.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9197 3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6633 6.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5235 5.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0517 3.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 0.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 1.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 1.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 2.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -4.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7137 5.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 4.8239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -1.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 -1.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5855 7.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 6.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2552 4.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0522 4.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -0.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1295 3.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5306 4.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0636 7.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2666 7.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7333 4.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1345 5.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8419 4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4407 3.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 2.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 3.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2076 0.3338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4443 1.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 1.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8589 -3.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -3.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -6.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7249 -6.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 26 1 0 0 0 0 3 31 1 0 0 0 0 4 30 2 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 23 2 0 0 0 0 8 24 1 0 0 0 0 9 24 2 0 0 0 0 9 30 1 0 0 0 0 10 33 2 0 0 0 0 10 35 1 0 0 0 0 11 34 1 0 0 0 0 11 35 2 0 0 0 0 12 35 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 13 20 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 M END $$$$ D00966 -OEChem-05252109502D 667671 0 1 0 0 0 0 0999 V2000 35.6256 -7.6790 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -15.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0838 -16.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -12.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -15.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 -19.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4294 -19.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2484 -17.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -15.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -12.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -22.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -21.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3903 -24.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -12.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -9.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -9.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -9.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5731 -10.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 -11.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7070 -14.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3051 -16.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7692 -15.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6352 -15.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0993 -14.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2333 -10.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6974 -9.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.2784 17.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8314 -6.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6812 17.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.6617 21.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4295 -3.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2333 -6.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2979 14.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 67.0365 23.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3673 -8.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.6346 20.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0275 -6.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.4385 23.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.7007 14.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.1705 23.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.6256 -3.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8936 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2237 -3.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1615 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.2327 23.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2237 -6.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3175 10.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7159 14.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2719 11.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.8218 -3.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.2306 8.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.4198 -6.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0179 -1.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4820 -0.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.8839 -5.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2198 5.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6421 2.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6225 5.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.2393 2.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.0179 -7.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.8839 -6.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4820 -4.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.6833 5.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.8517 1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -15.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6825 -17.5640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -14.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 -19.1820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -13.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6269 -21.7136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -14.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4012 -24.3497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 -22.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -12.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9750 -11.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7070 -12.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4391 -14.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1711 -15.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9032 -14.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0077 -18.1736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4859 -17.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5013 -13.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.2333 -12.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9654 -10.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8314 -8.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 63.9776 19.2380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5634 -12.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 62.3088 17.1849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5634 -6.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.9972 15.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 66.1705 20.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 67.9026 21.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2955 -5.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.3283 13.8449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 70.5006 22.3513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.8936 -4.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2955 -12.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.4295 -13.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 64.8800 14.1207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.6443 11.9655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.0688 18.1961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.4916 -5.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.0897 -4.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 73.0987 21.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.6030 9.3201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.6878 -5.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 54.3891 13.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.7680 19.9018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 56.4412 18.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 47.7500 -1.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 56.9190 7.4407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.2859 -4.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.0179 -3.6790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.9580 0.7607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.6878 -9.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 55.2501 5.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.2697 2.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.9385 4.1007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 60.2507 6.3273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 60.9600 7.7816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.3480 -3.1790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.0101 6.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.1785 3.0895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -16.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5827 -14.1790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0998 -17.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -13.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -15.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -18.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -15.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 -18.4300 0.0000 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0 0 171175 2 0 0 0 0 171176 1 0 0 0 0 172173 1 0 0 0 0 173177 1 0 0 0 0 173368 1 0 0 0 0 175178 1 0 0 0 0 175369 1 0 0 0 0 176179 2 0 0 0 0 176370 1 0 0 0 0 177180 1 0 0 0 0 177371 1 0 0 0 0 177372 1 0 0 0 0 178182 2 0 0 0 0 178374 1 0 0 0 0 179182 1 0 0 0 0 179375 1 0 0 0 0 180185 2 0 0 0 0 181183 1 0 0 0 0 182379 1 0 0 0 0 183184 1 0 0 0 0 183378 1 0 0 0 0 184186 1 0 0 0 0 184381 1 0 0 0 0 184382 1 0 0 0 0 185383 1 0 0 0 0 186191 1 0 0 0 0 186385 1 0 0 0 0 186386 1 0 0 0 0 187388 1 0 0 0 0 188189 1 0 0 0 0 189190 1 0 0 0 0 189389 1 0 0 0 0 190192 1 0 0 0 0 190390 1 0 0 0 0 190391 1 0 0 0 0 192393 1 0 0 0 0 192394 1 0 0 0 0 193194 1 0 0 0 0 194195 1 0 0 0 0 194395 1 0 0 0 0 195397 1 0 0 0 0 195398 1 0 0 0 0 196197 1 0 0 0 0 196199 1 0 0 0 0 196400 1 0 0 0 0 198401 1 0 0 0 0 198402 1 0 0 0 0 198403 1 0 0 0 0 199200 1 0 0 0 0 199404 1 0 0 0 0 199405 1 0 0 0 0 200203 2 0 0 0 0 200204 1 0 0 0 0 201202 1 0 0 0 0 202205 1 0 0 0 0 202408 1 0 0 0 0 203206 1 0 0 0 0 203409 1 0 0 0 0 204207 2 0 0 0 0 204410 1 0 0 0 0 205411 1 0 0 0 0 205412 1 0 0 0 0 206208 2 0 0 0 0 206413 1 0 0 0 0 207208 1 0 0 0 0 207414 1 0 0 0 0 M END $$$$ D00968 -OEChem-05252109502D 29 31 0 0 0 0 0 0 0999 V2000 10.4580 0.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.3632 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 1.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 1.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7918 -1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 19 1 0 0 0 0 3 29 1 0 0 0 0 4 18 3 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ D00971 -OEChem-05252109502D 50 53 0 0 0 0 0 0 0999 V2000 4.6600 0.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3572 -2.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3804 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 3.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 -5.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 2.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 -2.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 5.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7037 -4.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7546 5.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 -6.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5086 -0.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -0.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -1.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 1.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -3.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 2.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2396 -3.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2396 -4.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 -3.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1056 -3.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -5.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 -4.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 3.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 -3.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 4.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 -4.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8772 5.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 -5.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5158 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 -0.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 -0.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8877 -1.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2783 -2.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8778 0.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -3.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5062 2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 -6.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 0.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -5.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 0.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 4.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -3.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 6.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2406 -5.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 46 1 0 0 0 0 4 19 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 33 1 0 0 0 0 8 49 1 0 0 0 0 9 34 1 0 0 0 0 9 50 1 0 0 0 0 10 33 2 0 0 0 0 11 34 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 40 1 0 0 0 0 22 28 1 0 0 0 0 22 41 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 M END $$$$ D00976 -OEChem-05252109502D 30 31 0 1 0 0 0 0 0999 V2000 5.0298 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -3.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -2.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 0.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.3021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.8021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 3.3021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -1.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -2.2367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 -0.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -2.2367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -3.0457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 -1.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 -0.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -2.1397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -3.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4795 -3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 0.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6676 -3.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 3.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 9 2 1 6 0 0 0 2 24 1 0 0 0 0 10 3 1 1 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 11 6 1 6 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 15 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 6 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ D00979 -OEChem-05252109512D 23 23 0 0 0 0 0 0 0999 V2000 2.0544 -0.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -1.9349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 2.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 -0.3960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 0.4130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 1.3265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -2.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -1.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 3.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9563 -1.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2619 2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 3.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1291 3.3013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 2.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6777 1.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 1.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -3.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 10 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$ D00982 -OEChem-05252109512D 58 61 0 0 0 0 0 0 0999 V2000 13.2399 -3.5272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.9834 -2.5473 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5426 -0.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 2.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4028 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3913 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1348 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1232 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 2.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8508 -2.3211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2817 0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6752 -0.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 33 1 0 0 0 0 3 18 2 0 0 0 0 4 22 1 0 0 0 0 4 30 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 48 1 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 7 51 1 0 0 0 0 8 23 1 0 0 0 0 8 27 2 0 0 0 0 9 24 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 19 21 1 0 0 0 0 19 22 2 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 21 49 1 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 25 50 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$ D00983 -OEChem-05252109512D 176182 0 1 0 0 0 0 0999 V2000 16.5909 2.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1133 2.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 -1.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5841 0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3279 -3.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1507 0.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -0.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4329 4.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8522 0.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4446 -4.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8217 -4.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6984 -0.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2131 -0.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3518 -4.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0932 3.9887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 0.7019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 3.0938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9397 -1.8902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2674 1.5764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -0.4035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9856 2.4752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6271 -3.5938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4303 -0.9335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3298 -2.4234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8217 -2.4781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3518 -2.4539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0933 3.9772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9598 -0.1583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7776 4.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9904 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5755 5.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3870 4.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 1.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 3.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9663 2.2916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4697 0.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3734 0.5654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6033 3.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4497 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9598 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3579 1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5551 2.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 1.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0934 3.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9398 -1.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2789 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 0.0664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4696 -1.9134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1134 2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 0.5564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5979 -2.4034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7008 1.7763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5960 -3.3462 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2332 3.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 -2.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6993 1.8315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -2.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7124 0.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4562 -3.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6661 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8116 -1.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0227 2.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -4.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9270 0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4287 2.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7350 -3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 -1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2016 -1.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5817 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6877 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9557 -2.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4878 -2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6877 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9557 -3.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1557 -2.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5817 -4.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -4.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4878 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1557 -3.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 -5.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0733 -5.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2471 4.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4514 -0.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4622 5.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2136 4.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 0.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9173 -0.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9849 5.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1555 5.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9567 4.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6900 5.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 1.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2909 0.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3163 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5067 1.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1739 1.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 0.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 2.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3677 1.8443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6919 1.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 -0.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7892 1.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6047 0.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9266 1.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0533 2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9242 3.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0570 3.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8929 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5919 1.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 1.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1846 2.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3767 2.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 2.0475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7772 4.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 -1.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3199 -1.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9592 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 -1.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5729 2.5259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8097 1.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6539 1.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 -3.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 -3.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9702 -2.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0762 0.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 -2.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9188 2.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4554 2.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 -2.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9708 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3226 -3.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2816 1.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7399 2.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0505 1.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 -1.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3241 -1.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 -2.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8553 2.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4257 2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1901 1.6082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7602 -4.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 -5.1537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9541 -4.7241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3233 0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0682 0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5307 0.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8528 2.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8810 2.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0046 2.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -3.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1485 -3.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1969 -2.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4696 -1.3587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7356 -0.8790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -2.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -4.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8900 -2.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3495 -1.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9502 -5.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5630 -6.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1901 -5.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 -5.5198 0.0000 H 0 0 0 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0 0 0 127128 1 0 0 0 0 128225 1 0 0 0 0 129226 1 0 0 0 0 129227 1 0 0 0 0 129228 1 0 0 0 0 M END $$$$ D00989 -OEChem-05252109512D 47 49 0 1 0 0 0 0 0999 V2000 4.7755 -4.6114 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 3.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 6.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -0.0726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2387 2.4590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 -1.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 5.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 5.1326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -6.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8265 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4197 0.7365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 1.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0075 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -1.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 5.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 5.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0576 4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -2.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 4.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 -4.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3736 -4.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -4.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -5.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0786 2.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9057 1.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6221 2.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8858 1.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4376 1.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3720 0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9062 -1.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2583 5.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6932 3.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 6.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 5.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 4.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 -2.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -2.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -4.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 14 2 0 0 0 0 3 19 1 0 0 0 0 3 47 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 10 5 1 1 0 0 0 5 14 1 0 0 0 0 5 32 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 40 1 0 0 0 0 8 16 2 0 0 0 0 9 28 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ D00990 -OEChem-05252109512D 69 72 0 1 0 0 0 0 0999 V2000 4.4351 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 3.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 7.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 5.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 2.5501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 7.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 11.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7791 4.2819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8711 4.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 5.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 5.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7596 7.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 3.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 7.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 7.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 3.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 8.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 7.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 9.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 8.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 9.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 11.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 10.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 12.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 5.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 4.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 4.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 4.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 2.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 3.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 4.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 8.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 5.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 9.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 11.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 10.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 12.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 12.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 11.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 69 1 0 0 0 0 13 2 1 6 0 0 0 19 2 1 1 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 14 4 1 6 0 0 0 4 51 1 0 0 0 0 22 5 1 6 0 0 0 5 60 1 0 0 0 0 6 24 1 0 0 0 0 6 61 1 0 0 0 0 7 26 1 0 0 0 0 7 62 1 0 0 0 0 8 25 2 0 0 0 0 9 31 2 0 0 0 0 10 32 2 0 0 0 0 11 35 1 0 0 0 0 11 39 1 0 0 0 0 21 12 1 6 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 29 1 6 0 0 0 23 50 1 0 0 0 0 24 27 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 M END $$$$ D00991 -OEChem-05252109512D 96 94 0 0 0 0 0 0 0999 V2000 13.5273 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 6.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3215 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 6.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4555 6.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 5.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.2130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3215 5.2130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.2130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.5177 5.2130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0536 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9196 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1876 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7856 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6517 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4555 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7269 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5239 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6551 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4521 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3181 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5211 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5861 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7890 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3871 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1842 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 6.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1220 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3249 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1910 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9880 4.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0502 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2531 6.1879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 7.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0546 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5177 4.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8585 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 44 1 0 0 0 0 2 13 1 0 0 0 0 2 85 1 0 0 0 0 3 16 1 0 0 0 0 3 88 1 0 0 0 0 4 36 2 0 0 0 0 5 38 2 0 0 0 0 6 39 2 0 0 0 0 7 17 1 0 0 0 0 7 89 1 0 0 0 0 8 41 2 0 0 0 0 9 42 2 0 0 0 0 10 96 1 0 0 0 0 13 22 1 0 0 0 0 13 36 1 0 0 0 0 14 25 1 0 0 0 0 14 38 1 0 0 0 0 14 73 1 0 0 0 0 15 29 1 0 0 0 0 15 39 1 0 0 0 0 15 80 1 0 0 0 0 16 30 1 0 0 0 0 16 41 1 0 0 0 0 17 32 1 0 0 0 0 17 42 1 0 0 0 0 18 40 1 0 0 0 0 18 86 1 0 0 0 0 18 87 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 29 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 32 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 40 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 39 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 37 41 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 42 43 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 M END $$$$ D00992 -OEChem-05252109512D 52 55 0 0 0 0 0 0 0999 V2000 6.8594 3.0057 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.0673 2.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 1.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -3.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.9839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8376 3.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 2.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -1.6435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7436 -3.4482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 -0.4410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.3071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4832 0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 -0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3242 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -1.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 -0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2263 0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3731 1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -3.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -3.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7436 -1.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3272 -2.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -4.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0224 -0.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9179 -0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -1.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 -1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 -0.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 0.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6870 1.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8114 1.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 2.2739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -3.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 -4.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9362 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9472 -2.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 -4.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2468 -4.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6436 -4.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 1.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1123 4.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2524 2.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 20 1 0 0 0 0 3 22 1 0 0 0 0 3 50 1 0 0 0 0 4 28 2 0 0 0 0 5 51 1 0 0 0 0 6 52 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 9 19 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 28 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 16 33 1 0 0 0 0 17 21 2 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 19 27 1 0 0 0 0 20 25 1 0 0 0 0 21 34 1 0 0 0 0 22 25 2 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 29 30 2 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$ D00993 -OEChem-05252109512D 228234 0 1 0 0 0 0 0999 V2000 4.8092 14.5647 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 5.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0591 4.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 9.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4843 0.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7996 10.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 13.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 11.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 12.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 8.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 14.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 18.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5316 15.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2637 19.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 19.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9957 16.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 5.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 7.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9002 2.9229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 10.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 7.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1785 0.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 12.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 13.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 13.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2637 10.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 14.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6656 16.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 16.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1297 8.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 19.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2637 16.0647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 10.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1297 17.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3649 4.5701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3868 4.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8868 5.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5559 5.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 6.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 7.0647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1081 3.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 7.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 9.0647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2015 8.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6433 2.2537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9336 8.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 7.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4336 7.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5944 2.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4354 1.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4336 7.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 6.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 7.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 10.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 11.5647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7996 12.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 7.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 6.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6656 11.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 13.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 13.5647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2015 14.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6656 10.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5316 12.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5316 10.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 11.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 15.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 10.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 13.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 13.0647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9336 14.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0675 16.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 12.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 13.5647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7996 15.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9336 16.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 13.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7996 16.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 13.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 16.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2637 9.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 15.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 16.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 12.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 18.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0054 17.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 17.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5316 16.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 16.5647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4073 16.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 18.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 11.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3977 17.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 11.5647 0.0000 C 0 0 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11.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9437 4.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8204 4.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5784 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4719 5.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3852 4.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8659 6.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 6.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8724 6.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8680 8.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0709 8.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2049 6.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0020 6.5897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 7.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3105 2.7313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1359 8.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3389 8.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6045 9.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0536 2.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5441 8.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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20.1856 18.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7871 17.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5423 11.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4083 19.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 17.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 14.7547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2637 15.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 16.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0665 19.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7364 10.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 20.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1383 16.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 13.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 9.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6666 17.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2223 16.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2223 20.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 20.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0054 21.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 20.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6712 17.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6712 19.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 11.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1114 1 0 0 0 0 2 42 2 0 0 0 0 3 44 2 0 0 0 0 4 49 2 0 0 0 0 5 55 2 0 0 0 0 6 59 2 0 0 0 0 7 65 2 0 0 0 0 8 74 2 0 0 0 0 9 78 1 0 0 0 0 9194 1 0 0 0 0 10 82 2 0 0 0 0 11 86 2 0 0 0 0 12 87 2 0 0 0 0 13 91 2 0 0 0 0 14 93 2 0 0 0 0 15106 2 0 0 0 0 16109 2 0 0 0 0 17110 2 0 0 0 0 18121 1 0 0 0 0 18228 1 0 0 0 0 19121 2 0 0 0 0 20 38 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 43 21 1 6 0 0 0 21 49 1 0 0 0 0 21134 1 0 0 0 0 22 44 1 0 0 0 0 50 22 1 6 0 0 0 22135 1 0 0 0 0 48 23 1 1 0 0 0 23 59 1 0 0 0 0 23145 1 0 0 0 0 24 52 1 0 0 0 0 24 58 1 0 0 0 0 24149 1 0 0 0 0 25 55 1 0 0 0 0 25160 1 0 0 0 0 25161 1 0 0 0 0 60 26 1 6 0 0 0 26 65 1 0 0 0 0 26168 1 0 0 0 0 66 27 1 1 0 0 0 27 74 1 0 0 0 0 27174 1 0 0 0 0 75 28 1 6 0 0 0 28 82 1 0 0 0 0 28180 1 0 0 0 0 29 73 1 0 0 0 0 29 86 1 0 0 0 0 29183 1 0 0 0 0 79 30 1 1 0 0 0 30 87 1 0 0 0 0 30190 1 0 0 0 0 31 83 1 0 0 0 0 31 93 1 0 0 0 0 31193 1 0 0 0 0 85 32 1 1 0 0 0 32 91 1 0 0 0 0 32195 1 0 0 0 0 33 86 1 0 0 0 0 33200 1 0 0 0 0 33201 1 0 0 0 0 90 34 1 6 0 0 0 34109 1 0 0 0 0 34206 1 0 0 0 0 35 94 1 0 0 0 0 35110 1 0 0 0 0 35209 1 0 0 0 0 36 99 1 0 0 0 0 36113 2 0 0 0 0 37106 1 0 0 0 0 37110 1 0 0 0 0 37217 1 0 0 0 0 38 39 1 0 0 0 0 38 44 1 6 0 0 0 38122 1 0 0 0 0 39 40 1 0 0 0 0 39123 1 0 0 0 0 39124 1 0 0 0 0 40 41 1 0 0 0 0 40125 1 0 0 0 0 40126 1 0 0 0 0 41127 1 0 0 0 0 41128 1 0 0 0 0 42 43 1 0 0 0 0 43 45 1 0 0 0 0 43129 1 0 0 0 0 45 46 1 0 0 0 0 45130 1 0 0 0 0 45131 1 0 0 0 0 46 47 1 0 0 0 0 46132 1 0 0 0 0 46133 1 0 0 0 0 47 52 1 0 0 0 0 47136 1 0 0 0 0 47137 1 0 0 0 0 48 49 1 0 0 0 0 48 51 1 0 0 0 0 48138 1 0 0 0 0 50 54 1 0 0 0 0 50 55 1 0 0 0 0 50139 1 0 0 0 0 51 53 1 0 0 0 0 51140 1 0 0 0 0 51141 1 0 0 0 0 52142 1 0 0 0 0 52143 1 0 0 0 0 53 56 1 0 0 0 0 53 57 1 0 0 0 0 53144 1 0 0 0 0 54146 1 0 0 0 0 54147 1 0 0 0 0 54148 1 0 0 0 0 56150 1 0 0 0 0 56151 1 0 0 0 0 56152 1 0 0 0 0 57153 1 0 0 0 0 57154 1 0 0 0 0 57155 1 0 0 0 0 58 62 1 0 0 0 0 58 63 1 0 0 0 0 58156 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60157 1 0 0 0 0 61 64 1 0 0 0 0 61158 1 0 0 0 0 61159 1 0 0 0 0 62162 1 0 0 0 0 62163 1 0 0 0 0 62164 1 0 0 0 0 63165 1 0 0 0 0 63166 1 0 0 0 0 63167 1 0 0 0 0 64 68 2 0 0 0 0 64 69 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66169 1 0 0 0 0 67 72 1 0 0 0 0 67170 1 0 0 0 0 67171 1 0 0 0 0 68 70 1 0 0 0 0 68172 1 0 0 0 0 69 71 2 0 0 0 0 69173 1 0 0 0 0 70 73 2 0 0 0 0 70175 1 0 0 0 0 71 73 1 0 0 0 0 71176 1 0 0 0 0 72 76 2 0 0 0 0 72 77 1 0 0 0 0 74 75 1 0 0 0 0 75 78 1 0 0 0 0 75177 1 0 0 0 0 76 80 1 0 0 0 0 76178 1 0 0 0 0 77 81 2 0 0 0 0 77179 1 0 0 0 0 78181 1 0 0 0 0 78182 1 0 0 0 0 79 82 1 0 0 0 0 79 84 1 0 0 0 0 79184 1 0 0 0 0 80 83 2 0 0 0 0 80185 1 0 0 0 0 81 83 1 0 0 0 0 81186 1 0 0 0 0 84 89 1 0 0 0 0 84187 1 0 0 0 0 84188 1 0 0 0 0 85 87 1 0 0 0 0 85 88 1 0 0 0 0 85189 1 0 0 0 0 88 95 1 0 0 0 0 88191 1 0 0 0 0 88192 1 0 0 0 0 89 97 1 0 0 0 0 89 99 2 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 90196 1 0 0 0 0 92 96 1 0 0 0 0 92197 1 0 0 0 0 92198 1 0 0 0 0 94 93 1 6 0 0 0 94 98 1 0 0 0 0 94199 1 0 0 0 0 95100 2 0 0 0 0 95101 1 0 0 0 0 96102 2 0 0 0 0 96103 1 0 0 0 0 97105 2 0 0 0 0 97202 1 0 0 0 0 98106 1 0 0 0 0 98203 1 0 0 0 0 98204 1 0 0 0 0 99205 1 0 0 0 0 100111 1 0 0 0 0 100207 1 0 0 0 0 101112 2 0 0 0 0 101208 1 0 0 0 0 102104 1 0 0 0 0 102210 1 0 0 0 0 103108 2 0 0 0 0 103211 1 0 0 0 0 104107 1 0 0 0 0 104115 2 0 0 0 0 105113 1 0 0 0 0 105212 1 0 0 0 0 107108 1 0 0 0 0 107116 2 0 0 0 0 108213 1 0 0 0 0 109117 1 0 0 0 0 111114 2 0 0 0 0 111214 1 0 0 0 0 112114 1 0 0 0 0 112215 1 0 0 0 0 113216 1 0 0 0 0 115118 1 0 0 0 0 115218 1 0 0 0 0 116119 1 0 0 0 0 116219 1 0 0 0 0 117220 1 0 0 0 0 117221 1 0 0 0 0 117222 1 0 0 0 0 118119 2 0 0 0 0 118223 1 0 0 0 0 119224 1 0 0 0 0 120121 1 0 0 0 0 120225 1 0 0 0 0 120226 1 0 0 0 0 120227 1 0 0 0 0 M END $$$$ D00996 -OEChem-05252109512D 68 71 0 1 0 0 0 0 0999 V2000 7.0628 1.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 1.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.2992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.0055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.2008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.8742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.1374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.7324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 3.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 59 1 0 0 0 0 24 2 1 6 0 0 0 2 65 1 0 0 0 0 3 28 1 0 0 0 0 3 68 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 1 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 6 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 6 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 6 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 13 36 1 1 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 6 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END $$$$ D00997 -OEChem-05252109512D 62 66 0 1 0 0 0 0 0999 V2000 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 2.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 20 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 15 3 1 1 0 0 0 3 51 1 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 5 62 1 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 1 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 32 1 1 0 0 0 10 12 1 0 0 0 0 10 21 1 1 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 34 1 1 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 1 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 21 25 1 0 0 0 0 22 28 2 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 29 2 0 0 0 0 24 50 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 M END $$$$ D00998 -OEChem-05252109512D 56 59 0 1 0 0 0 0 0999 V2000 5.0182 0.0452 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9821 2.2787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9391 2.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.2792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.7208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.5839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.2208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.2277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 1.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2423 1.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5458 2.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 14 2 1 1 0 0 0 2 51 1 0 0 0 0 3 20 2 0 0 0 0 4 25 1 0 0 0 0 4 56 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 1 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 1 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 21 1 6 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 1 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$ D00999 -OEChem-05252109512D 37 37 0 1 0 0 0 0 0999 V2000 6.3301 3.6200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7320 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6762 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 4.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 35 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M END $$$$ D01001 -OEChem-05252109512D 21 22 0 0 0 0 0 0 0999 V2000 2.0000 -0.9011 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.8770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0301 -1.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 -1.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.3770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 0.5861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 1.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$ D01003 -OEChem-05252109512D 67 70 0 1 0 0 0 0 0999 V2000 5.0182 0.3484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.4869 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 2.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 0.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.5824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 1.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5951 1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 0.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 3.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0395 3.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0839 3.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9586 1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0973 2.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2315 2.3318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 22 2 1 6 0 0 0 14 3 1 6 0 0 0 3 31 1 0 0 0 0 18 4 1 1 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 29 1 0 0 0 0 6 34 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 37 1 1 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 25 1 1 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 28 2 0 0 0 0 24 29 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 32 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END $$$$ D01004 -OEChem-05252109512D 70 73 0 1 0 0 0 0 0999 V2000 5.0182 0.1669 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.6684 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.6572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.7212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 0.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0932 -1.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.5992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.0992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.5992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.7056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.4008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 -0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.6684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -2.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5015 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4962 -0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.5139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.4205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -0.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 -0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.6862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 2.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 2.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 4.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 4.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 3.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 -1.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1129 -0.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4324 0.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 22 2 1 6 0 0 0 14 3 1 6 0 0 0 3 30 1 0 0 0 0 17 4 1 1 0 0 0 4 56 1 0 0 0 0 5 24 2 0 0 0 0 6 28 1 0 0 0 0 6 34 1 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 38 1 1 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 55 1 0 0 0 0 27 31 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 35 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END $$$$ D01005 -OEChem-05252109512D 10 9 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ D01006 -OEChem-05252109512D 57 57 0 1 0 0 0 0 0999 V2000 10.3299 -2.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7608 -2.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3788 -2.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0698 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0698 -3.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 -0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 -0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -2.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4358 0.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3018 1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3018 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1155 -2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -1.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 -0.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 4.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1222 -1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -2.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 -1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 -3.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6762 -3.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1008 -1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 -1.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0328 -0.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -0.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 -2.5197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 -3.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8989 0.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5139 0.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0898 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6912 2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6548 -2.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3799 2.0913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 -1.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -0.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5698 1.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 4.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 3.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8702 -1.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3439 3.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 4.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 4.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 35 1 0 0 0 0 2 10 2 0 0 0 0 15 3 1 1 0 0 0 3 47 1 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 1 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 6 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 M END $$$$ D01008 -OEChem-05252109512D 54 54 0 1 0 0 0 0 0999 V2000 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 10 1 0 0 0 0 3 51 1 0 0 0 0 4 14 2 0 0 0 0 5 18 2 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 50 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 9 23 1 0 0 0 0 10 22 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 M END $$$$ D01010 -OEChem-05252109512D 47 47 0 1 0 0 0 0 0999 V2000 11.1972 4.7150 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7331 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 4.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 20 1 0 0 0 0 2 44 1 0 0 0 0 3 21 1 0 0 0 0 3 45 1 0 0 0 0 4 23 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 19 2 0 0 0 0 15 38 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 17 40 1 0 0 0 0 18 21 2 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D01011 -OEChem-05252109512D 111116 0 1 0 0 0 0 0999 V2000 5.1483 -6.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 -4.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4821 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -3.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 0.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6038 -5.6460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4245 -2.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 1.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 1.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 4.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 4.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 3.0229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -3.5934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3274 -4.6239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2517 -3.2107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5059 -5.2643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0994 -3.2107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 -2.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4156 -3.8320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5436 -4.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -5.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -0.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.3629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8804 -0.5819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9172 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6259 -5.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 -3.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -6.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 1.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -4.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 1.7982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5717 -4.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -5.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 2.7641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1453 -5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7266 -6.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -6.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 3.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 3.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2253 4.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 3.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 3.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 5.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 4.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0687 6.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 4.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2934 5.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -3.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -5.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -4.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -4.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -5.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -5.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 -5.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 -2.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 -1.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -2.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -3.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -0.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 -1.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 -0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 -0.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7921 -1.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 0.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 1.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -0.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -5.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -6.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -6.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 2.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8337 -3.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 -5.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6165 3.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -5.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 -6.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 -6.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 2.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6105 2.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 4.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 3.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 5.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 5.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 6.3400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 6.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 6.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 5.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7627 4.7943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 4.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4539 4.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8923 5.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 6.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 17 2 1 1 0 0 0 2 36 1 0 0 0 0 20 3 1 1 0 0 0 3 37 1 0 0 0 0 21 4 1 6 0 0 0 4 80 1 0 0 0 0 22 5 1 6 0 0 0 5 81 1 0 0 0 0 6 26 2 0 0 0 0 30 7 1 6 0 0 0 7 85 1 0 0 0 0 31 8 1 1 0 0 0 8 39 1 0 0 0 0 9 36 2 0 0 0 0 10 37 2 0 0 0 0 11 39 2 0 0 0 0 41 12 1 1 0 0 0 12 95 1 0 0 0 0 13 51 1 0 0 0 0 13 55 1 0 0 0 0 14 51 2 0 0 0 0 44 15 1 1 0 0 0 15 51 1 0 0 0 0 15 97 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 59 1 1 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 29 1 6 0 0 0 19 23 1 0 0 0 0 19 60 1 1 0 0 0 20 21 1 0 0 0 0 20 61 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 28 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 32 35 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 44 1 0 0 0 0 41 89 1 0 0 0 0 42 45 1 0 0 0 0 42 90 1 0 0 0 0 43 46 2 0 0 0 0 43 91 1 0 0 0 0 44 48 1 0 0 0 0 44 92 1 0 0 0 0 45 47 2 0 0 0 0 45 93 1 0 0 0 0 46 47 1 0 0 0 0 46 94 1 0 0 0 0 47 96 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 49 52 1 0 0 0 0 49 98 1 0 0 0 0 50 53 2 0 0 0 0 50 99 1 0 0 0 0 52 54 2 0 0 0 0 52100 1 0 0 0 0 53 54 1 0 0 0 0 53101 1 0 0 0 0 54102 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 56105 1 0 0 0 0 57106 1 0 0 0 0 57107 1 0 0 0 0 57108 1 0 0 0 0 58109 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 M END $$$$ D01014 -OEChem-05252109512D 40 42 0 0 0 0 0 0 0999 V2000 2.0000 1.6344 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.6344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 2.6344 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -2.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -1.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 -2.8601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 -3.0680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -2.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7901 -0.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 0.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 -0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -3.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 15 2 0 0 0 0 7 20 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 20 1 0 0 0 0 11 37 1 0 0 0 0 12 29 3 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 28 40 1 0 0 0 0 M END $$$$ D01016 -OEChem-05252109512D 37 37 0 1 0 0 0 0 0999 V2000 2.9874 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 3.5583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 4.3631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 5.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 3.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 4.3631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.8631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.3631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 5.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 5.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 4.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 5.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 6.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 6.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 7.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 7.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 4.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9748 3.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 4 7 2 0 0 0 0 4 8 2 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 12 9 1 6 0 0 0 9 19 1 0 0 0 0 9 28 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$ D01017 -OEChem-05252109512D 154157 0 1 0 0 0 0 0999 V2000 10.5509 2.5132 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 10.5509 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 18.4167 17.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 9.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8022 14.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8022 12.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1984 16.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 10.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1984 14.2353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 12.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 17.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 9.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9362 20.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 6.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 19.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 7.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 14.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 11.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 15.7594 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 5.8022 10.5633 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 16.6682 16.2594 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9362 10.0633 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8022 14.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 11.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8022 15.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 10.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5343 15.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 10.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6682 14.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 12.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3022 16.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3022 9.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6682 17.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 9.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5343 14.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 11.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3022 14.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 11.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4282 16.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 10.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 17.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4282 14.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3022 14.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 11.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3343 15.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 10.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3343 14.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 11.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 18.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 7.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9362 17.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 9.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0702 17.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9362 19.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0702 18.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 7.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2768 17.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 8.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 14.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 12.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 13.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 13.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0663 15.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 10.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1945 13.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 13.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3381 17.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2663 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 20.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 5.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 20.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 6.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1313 16.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4731 9.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1916 14.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5902 14.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 11.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 12.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9099 16.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2196 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0 0 0 0 0 0 0 0 0 21.6044 15.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3742 16.3251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 11.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 9.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5745 13.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1921 12.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8145 13.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 13.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 13.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 13.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6481 18.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8012 18.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0281 17.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9563 8.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8033 8.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5763 9.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1122 20.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3392 21.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4922 21.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 6.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2653 5.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 5.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 20.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 20.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5841 20.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7803 6.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4003 5.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0203 6.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 39 1 0 0 0 0 3 61 1 0 0 0 0 4 40 1 0 0 0 0 4 62 1 0 0 0 0 5 45 1 0 0 0 0 5 63 1 0 0 0 0 6 46 1 0 0 0 0 6 64 1 0 0 0 0 7 47 1 0 0 0 0 7 67 1 0 0 0 0 8 48 1 0 0 0 0 8 68 1 0 0 0 0 9 49 1 0 0 0 0 9 69 1 0 0 0 0 10 50 1 0 0 0 0 10 70 1 0 0 0 0 11 55 1 0 0 0 0 11 71 1 0 0 0 0 12 56 1 0 0 0 0 12 72 1 0 0 0 0 13 57 1 0 0 0 0 13 73 1 0 0 0 0 14 58 1 0 0 0 0 14 74 1 0 0 0 0 15 59 1 0 0 0 0 15 75 1 0 0 0 0 16 60 1 0 0 0 0 16 76 1 0 0 0 0 17 63 2 0 0 0 0 18 64 2 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 20 32 1 0 0 0 0 21 27 1 0 0 0 0 21 33 1 0 0 0 0 21 77 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 22 78 1 0 0 0 0 23 29 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 30 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 37 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 38 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 35 1 0 0 0 0 27 39 2 0 0 0 0 28 36 1 0 0 0 0 28 40 2 0 0 0 0 29 35 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 36 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 41 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 42 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35 43 2 0 0 0 0 36 44 2 0 0 0 0 37 45 1 0 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 38 46 1 0 0 0 0 38103 1 0 0 0 0 38104 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 0 0 0 0 41 51 2 0 0 0 0 41 53 1 0 0 0 0 42 52 2 0 0 0 0 42 54 1 0 0 0 0 43 49 1 0 0 0 0 43105 1 0 0 0 0 44 50 1 0 0 0 0 44106 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 47 49 2 0 0 0 0 48 50 2 0 0 0 0 51 57 1 0 0 0 0 51111 1 0 0 0 0 52 58 1 0 0 0 0 52112 1 0 0 0 0 53 55 2 0 0 0 0 53113 1 0 0 0 0 54 56 2 0 0 0 0 54114 1 0 0 0 0 55 59 1 0 0 0 0 56 60 1 0 0 0 0 57 59 2 0 0 0 0 58 60 2 0 0 0 0 61115 1 0 0 0 0 61116 1 0 0 0 0 61117 1 0 0 0 0 62118 1 0 0 0 0 62119 1 0 0 0 0 62120 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 66 1 0 0 0 0 65121 1 0 0 0 0 65122 1 0 0 0 0 66123 1 0 0 0 0 66124 1 0 0 0 0 67125 1 0 0 0 0 67126 1 0 0 0 0 67127 1 0 0 0 0 68128 1 0 0 0 0 68129 1 0 0 0 0 68130 1 0 0 0 0 69131 1 0 0 0 0 69132 1 0 0 0 0 69133 1 0 0 0 0 70134 1 0 0 0 0 70135 1 0 0 0 0 70136 1 0 0 0 0 71137 1 0 0 0 0 71138 1 0 0 0 0 71139 1 0 0 0 0 72140 1 0 0 0 0 72141 1 0 0 0 0 72142 1 0 0 0 0 73143 1 0 0 0 0 73144 1 0 0 0 0 73145 1 0 0 0 0 74146 1 0 0 0 0 74147 1 0 0 0 0 74148 1 0 0 0 0 75149 1 0 0 0 0 75150 1 0 0 0 0 75151 1 0 0 0 0 76152 1 0 0 0 0 76153 1 0 0 0 0 76154 1 0 0 0 0 M CHG 4 1 -1 2 -1 19 1 20 1 M END $$$$ D01018 -OEChem-05252109512D 60 62 0 1 0 0 0 0 0999 V2000 3.9256 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 7.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 3.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 7.8709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7549 4.8185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5848 6.3320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5848 6.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 7.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1726 5.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 7.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 5.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 6.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1671 5.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0848 8.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 4.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 6.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 4.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 5.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3481 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 4.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 9.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9359 3.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 4.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 3.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 3.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 5.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 3.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 5.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3033 5.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 7.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 7.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 5.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 4.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7243 5.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 6.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 9.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4742 8.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 5.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 7.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 5.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 4.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8341 4.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 3.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3066 5.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 5.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 8.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4877 9.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 9.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3787 2.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8512 3.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7679 4.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 3.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 7.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 3.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 4.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5848 2.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 60 1 0 0 0 0 2 10 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 24 1 0 0 0 0 15 39 1 0 0 0 0 16 25 1 0 0 0 0 16 40 1 0 0 0 0 17 26 2 0 0 0 0 17 41 1 0 0 0 0 18 27 2 0 0 0 0 18 42 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 28 2 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$ D01020 -OEChem-05252109512D 70 73 0 1 0 0 0 0 0999 V2000 4.4351 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 3.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 7.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 5.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 2.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8056 2.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 7.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5769 11.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7791 4.2808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8711 4.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 5.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 5.8327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7596 7.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 3.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 6.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 7.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 8.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 7.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 9.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 8.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 9.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 11.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 10.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5538 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 5.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 4.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 4.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 4.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 3.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 4.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 8.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 5.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 9.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4255 2.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 11.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 10.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 12.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 12.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 11.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 70 1 0 0 0 0 14 2 1 6 0 0 0 20 2 1 1 0 0 0 3 20 1 0 0 0 0 3 24 1 0 0 0 0 15 4 1 6 0 0 0 4 52 1 0 0 0 0 23 5 1 6 0 0 0 5 60 1 0 0 0 0 6 25 1 0 0 0 0 6 61 1 0 0 0 0 7 27 1 0 0 0 0 7 62 1 0 0 0 0 8 26 2 0 0 0 0 9 31 1 0 0 0 0 9 64 1 0 0 0 0 10 32 2 0 0 0 0 11 33 2 0 0 0 0 12 36 1 0 0 0 0 12 40 1 0 0 0 0 22 13 1 6 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 30 1 6 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 M END $$$$ D01025 -OEChem-05252109512D 47 51 0 1 0 0 0 0 0999 V2000 2.9176 -3.3220 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 2.8796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 3.6844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 3.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 -1.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5741 -0.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.4546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -4.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -1.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 2.7518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -3.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 4.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.9026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 9 4 1 1 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 20 1 0 0 0 0 5 29 1 0 0 0 0 5 44 1 0 0 0 0 6 17 2 0 0 0 0 6 30 1 0 0 0 0 7 25 1 0 0 0 0 7 29 2 0 0 0 0 8 25 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$ D01026 -OEChem-05252109512D 934950 0 1 0 0 0 0 0999 V2000 24.1573 -9.9330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.0648 -9.8188 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.4063 -6.6933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 27.4849 -7.9892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.5527 -6.6817 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 27.4308 -7.8526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.7432 -5.2447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 35.7258 -13.2068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7210 -12.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2391 -11.1492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2639 -9.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5352 -13.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 -7.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4683 -13.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0789 -11.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9663 -11.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2195 -5.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2929 -12.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7942 -11.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1555 -3.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6138 -11.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6081 -2.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6500 -12.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2121 -11.1489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2821 -11.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9354 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4063 -1.9943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9689 -11.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5219 -12.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7311 -10.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7788 -10.5163 0.0000 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0 7.0991 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 6.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 3.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 5.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 4.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 5.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 6.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 6.8110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 7.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0981 6.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 M CHG 2 1 -1 7 1 M END $$$$ D01028 -OEChem-05252109512D 44 45 0 1 0 0 0 0 0999 V2000 6.8671 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 7.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5991 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 5.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 5.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3296 7.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 22 1 0 0 0 0 3 28 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 44 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$ D01030 -OEChem-05252109512D 23 24 0 0 0 0 0 0 0999 V2000 4.8479 0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 0.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 1.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 2.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$ D01031 -OEChem-05252109512D 35 31 0 0 0 0 0 0 0999 V2000 3.6310 -3.9135 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.9356 3.9135 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.3621 0.8706 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6310 -3.9135 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9239 -3.2064 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9794 -0.0533 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5530 2.9896 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2620 -3.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -1.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -1.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 0.4790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -3.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0407 0.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4084 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 -0.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 -0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 -1.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 0.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 1.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 20 2 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M CHG 7 1 2 2 1 3 1 4 -1 5 -1 6 -1 7 -1 M END $$$$ D01032 -OEChem-05252109512D 86 89 0 1 0 0 0 0 0999 V2000 5.6648 10.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 1.4642 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 17.5483 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 5.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 6.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 18.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6009 17.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6009 17.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 3.1350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.8671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1648 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 3.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.7690 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6648 7.4651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 9.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 3.1350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6648 4.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6648 2.2690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6648 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 9.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 10.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 10.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 16.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 14.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 16.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 16.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7349 15.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4669 15.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 13.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9748 4.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2848 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0822 2.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7725 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2474 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5572 4.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6398 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6398 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5448 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2018 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2018 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 3.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 3.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 0.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 3.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 2.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2848 7.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 7.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0448 9.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4748 10.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 16.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 16.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 14.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 14.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 13.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 12.9283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 13.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1378 18.8583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 27 1 0 0 0 0 2 32 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 3 10 2 0 0 0 0 3 42 1 0 0 0 0 4 24 2 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 30 2 0 0 0 0 8 86 1 0 0 0 0 18 11 1 1 0 0 0 11 25 1 0 0 0 0 11 58 1 0 0 0 0 19 12 1 1 0 0 0 12 26 1 0 0 0 0 12 59 1 0 0 0 0 13 24 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 27 2 0 0 0 0 14 31 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 30 1 0 0 0 0 16 37 1 0 0 0 0 16 72 1 0 0 0 0 17 37 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 6 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 76 1 0 0 0 0 39 41 1 0 0 0 0 39 77 1 0 0 0 0 40 41 2 0 0 0 0 40 78 1 0 0 0 0 42 44 2 0 0 0 0 42 45 1 0 0 0 0 43 46 2 0 0 0 0 43 47 1 0 0 0 0 43 48 1 0 0 0 0 44 46 1 0 0 0 0 44 79 1 0 0 0 0 45 47 2 0 0 0 0 45 80 1 0 0 0 0 46 81 1 0 0 0 0 47 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 48 85 1 0 0 0 0 M END $$$$ D01033 -OEChem-05252109512D 47 49 0 1 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 -0.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 -0.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 0.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -0.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 24 1 0 0 0 0 9 3 1 1 0 0 0 3 40 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 6 25 2 0 0 0 0 7 23 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 1 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 44 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 25 47 1 0 0 0 0 M END $$$$ D01034 -OEChem-05252109512D 75 77 0 1 0 0 0 0 0999 V2000 7.1962 6.3736 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.9454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4337 -3.9019 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 -4.9131 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0049 -6.0715 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -4.1019 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 5.5076 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1962 4.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 0.3115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 -4.4943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1633 -5.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7909 -4.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 -6.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 -5.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1330 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 -6.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 0.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3038 -1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 -0.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 -3.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 1.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 2.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 3.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 2.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8862 -1.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8862 1.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1711 4.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 -1.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5062 1.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3162 0.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 -6.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7435 -5.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7022 -6.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 32 1 0 0 0 0 3 34 1 0 0 0 0 4 40 1 0 0 0 0 5 40 1 0 0 0 0 6 40 1 0 0 0 0 7 18 2 0 0 0 0 8 21 2 0 0 0 0 9 39 1 0 0 0 0 9 46 1 0 0 0 0 10 45 1 0 0 0 0 11 45 2 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 15 14 1 6 0 0 0 14 23 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 31 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 30 2 0 0 0 0 26 34 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 35 1 0 0 0 0 28 60 1 0 0 0 0 29 36 2 0 0 0 0 29 61 1 0 0 0 0 30 38 1 0 0 0 0 30 40 1 0 0 0 0 31 45 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 39 1 0 0 0 0 33 42 2 0 0 0 0 33 64 1 0 0 0 0 34 41 2 0 0 0 0 35 37 2 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 43 2 0 0 0 0 38 68 1 0 0 0 0 39 44 2 0 0 0 0 41 43 1 0 0 0 0 41 69 1 0 0 0 0 42 44 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 44 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 46 75 1 0 0 0 0 M CHG 2 1 1 10 -1 M END $$$$ D01035 -OEChem-05252109512D 37 36 0 1 0 0 0 0 0999 V2000 3.7320 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 11 7 1 6 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 M END $$$$ D01041 -OEChem-05252109512D 72 72 0 1 0 0 0 0 0999 V2000 10.5714 5.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4622 10.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7923 10.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.2075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 9.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 11.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2016 1.6821 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.3922 1.1821 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6180 2.4868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 0.8774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 2.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 0.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6104 2.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6104 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3922 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2016 1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6717 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9286 3.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2932 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6717 1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 2.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 0.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9036 5.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2143 6.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1943 10.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0603 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 10.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9263 10.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 3.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 2.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0310 0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6355 0.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0951 3.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3414 3.3642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3414 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0951 0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9967 2.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6612 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 3.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 3.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0242 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8518 0.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5622 1.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7139 4.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8782 3.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 3.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8057 0.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4028 2.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4028 0.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3567 6.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5210 5.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8036 6.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 7.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 7.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1943 11.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0603 9.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9253 10.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3293 10.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 29 1 0 0 0 0 2 35 1 0 0 0 0 2 69 1 0 0 0 0 3 36 1 0 0 0 0 3 70 1 0 0 0 0 4 37 1 0 0 0 0 4 71 1 0 0 0 0 5 38 1 0 0 0 0 5 72 1 0 0 0 0 6 35 2 0 0 0 0 7 36 2 0 0 0 0 8 37 2 0 0 0 0 9 38 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 19 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 23 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 26 2 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 57 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 34 38 1 0 0 0 0 34 68 1 0 0 0 0 M END $$$$ D01043 -OEChem-05252109512D 58 61 0 1 0 0 0 0 0999 V2000 6.1808 -1.3038 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 4.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.1962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 3.1962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1808 4.6962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1808 2.6962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0468 4.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1808 1.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.8038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -5.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -4.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -6.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 5.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 2.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 3.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 5.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 5.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 5.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 6.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -5.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -0.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 -0.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -6.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -5.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 4.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -3.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -4.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -6.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -6.5959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -1.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -3.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 9 3 1 1 0 0 0 3 39 1 0 0 0 0 10 4 1 6 0 0 0 4 40 1 0 0 0 0 11 5 1 6 0 0 0 5 42 1 0 0 0 0 6 15 1 0 0 0 0 6 50 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 19 8 1 1 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 1 0 0 0 12 35 1 0 0 0 0 13 15 1 1 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 26 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$ D01044 -OEChem-05252109512D 49 50 0 1 0 0 0 0 0999 V2000 6.3301 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 3.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2242 3.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 3.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 46 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 13 7 1 1 0 0 0 15 7 1 1 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 1 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 22 24 2 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 M END $$$$ D01046 -OEChem-05252109512D 63 65 0 1 0 0 0 0 0999 V2000 6.4641 -2.1307 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.1307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2689 2.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1100 3.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 1.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 2.1773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 1.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5747 2.2284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 0.5300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5411 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 2.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 3.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4921 1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6237 2.5374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8805 1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1863 1.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 3.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6511 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3179 2.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0121 3.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 3.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5965 2.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6174 3.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 4.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 4.3829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 3.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 2.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5894 1.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3691 1.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8006 2.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2393 -0.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0222 3.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2869 4.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8093 3.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7036 1.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 -0.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -4.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4269 2.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4728 3.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5972 3.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 13 1 0 0 0 0 2 35 1 0 0 0 0 3 25 1 0 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 7 34 2 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 10 24 1 0 0 0 0 10 28 1 0 0 0 0 10 49 1 0 0 0 0 11 22 2 0 0 0 0 11 28 1 0 0 0 0 23 12 1 6 0 0 0 12 34 1 0 0 0 0 12 55 1 0 0 0 0 13 27 1 0 0 0 0 13 56 1 0 0 0 0 14 28 2 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 26 31 2 0 0 0 0 26 48 1 0 0 0 0 27 32 2 0 0 0 0 29 33 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 54 1 0 0 0 0 33 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 M END $$$$ D01048 -OEChem-05252109512D 40 42 0 0 0 0 0 0 0999 V2000 8.6651 1.2879 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -0.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 -1.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.7709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5254 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 -0.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 -1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 -2.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9334 0.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 0.2127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1250 -2.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 -2.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6115 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 -2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -1.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -2.7732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 2 0 0 0 0 3 23 1 0 0 0 0 3 40 1 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 13 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$ D01049 -OEChem-05252109512D 203206 0 1 0 0 0 0 0999 V2000 16.0000 3.2452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -9.7452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -10.6113 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7320 3.2452 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4151 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.5000 -11.4772 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0000 -12.3433 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.5000 2.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -1.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 4.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -4.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 5.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 1.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -4.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -6.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2320 7.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9641 7.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -4.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 4.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -1.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.6471 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2.8660 -2.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 0.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1516 1.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9872 2.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 0.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 0.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5393 2.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1325 2.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3254 3.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4898 2.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3763 3.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2119 4.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 4.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5692 4.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7693 -0.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 2.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 1.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2651 0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 8 66 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 70 1 0 0 0 0 10 28 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 12 19 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 20 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 60 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 2 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 2 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 37 73 1 0 0 0 0 38 39 2 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 40 41 2 0 0 0 0 41 75 1 0 0 0 0 M END $$$$ D01051 -OEChem-05252109512D 48 50 0 0 0 0 0 0 0999 V2000 6.3582 -0.4700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2627 2.1991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -2.8827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.6148 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4437 3.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.7901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 4.9397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 1.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 2.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 3.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 4.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6303 5.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 0.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7181 1.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 1.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 0.9282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 2.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 3.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 5.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1319 5.3843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9947 6.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1287 6.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 23 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 29 1 0 0 0 0 6 13 2 0 0 0 0 7 30 2 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 30 1 0 0 0 0 10 32 1 0 0 0 0 10 45 1 0 0 0 0 11 31 3 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 41 1 0 0 0 0 22 27 2 0 0 0 0 22 42 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 M END $$$$ D01052 -OEChem-05252109522D 43 44 0 1 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 38 1 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 18 2 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$ D01053 -OEChem-05252109522D 57 57 0 1 0 0 0 0 0999 V2000 15.1295 -4.0215 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.0459 -2.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 -1.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 2.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1295 -4.0215 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.1295 -2.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0997 -0.9234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0997 -1.9234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1487 -0.6144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5609 -1.4234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1487 -2.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0459 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6295 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6295 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8615 0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5525 1.4956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1295 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5743 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1295 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6295 -3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6295 -3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -0.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -2.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5363 -0.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2794 -1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 -2.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 -2.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -0.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 0.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2509 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 -0.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1589 1.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5469 -2.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2372 -2.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7122 -2.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0219 -1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 2.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 3.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 2.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 2.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 2.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0469 -3.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7372 -3.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5921 3.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9998 4.4332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 4.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 4.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 10 3 1 1 0 0 0 3 36 1 0 0 0 0 17 4 1 6 0 0 0 4 48 1 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 6 0 0 0 8 11 1 0 0 0 0 8 28 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 6 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$ D01056 -OEChem-05252109522D 71 75 0 1 0 0 0 0 0999 V2000 10.5194 -2.0023 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 -0.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3389 1.1212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9389 0.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0472 -0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8508 1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0262 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5228 0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0709 1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2068 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -1.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3365 1.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4272 -0.3653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9848 -0.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3510 1.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5388 1.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8369 -1.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5935 -0.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0258 -0.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9359 0.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4676 1.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6706 1.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 15 2 1 6 0 0 0 2 48 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 25 1 0 0 0 0 5 56 1 0 0 0 0 6 23 2 0 0 0 0 7 31 1 0 0 0 0 7 65 1 0 0 0 0 8 32 2 0 0 0 0 9 40 2 0 0 0 0 18 10 1 6 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 32 1 0 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 33 1 0 0 0 0 12 40 1 0 0 0 0 12 60 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 6 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 6 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 57 1 0 0 0 0 35 37 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 38 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 40 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END $$$$ D01058 -OEChem-05252109522D 120127 0 1 0 0 0 0 0999 V2000 7.1480 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 4.9289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0789 7.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5609 7.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 6.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 4.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9646 8.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 7.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1151 8.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 4.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 5.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 8.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0140 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 8.6370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 6.4192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6615 5.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6615 6.1346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0789 5.6740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8638 4.7530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9549 6.8798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9549 5.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0661 5.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0661 6.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7000 7.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2685 6.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 5.2135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4708 6.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6038 8.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7623 8.7118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6731 4.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 9.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8754 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 6.5951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2802 8.8676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8754 6.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6548 9.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9815 7.5112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2363 6.2205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6200 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1516 8.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 8.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4988 8.0041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0258 9.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 8.4971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6200 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 7.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 6.9366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7834 7.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2481 10.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 7.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1538 6.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 4.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 7.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4486 7.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7503 4.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 6.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5785 4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0838 5.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5715 6.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 4.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0661 6.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9718 6.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2960 7.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6670 7.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8699 7.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 4.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2588 6.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 6.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2223 8.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7538 8.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4229 9.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 4.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0716 4.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1874 9.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5708 10.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 5.7463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6862 9.4756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 6.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 6.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 8.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 7.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7280 7.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5053 7.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 8.7705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 8.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 8.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4306 9.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6319 9.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 9.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0374 6.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7277 6.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6824 7.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8481 7.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 6.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 11.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 10.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 7.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6064 5.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4449 5.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 6.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 4.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 4.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 5.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0362 5.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 7.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2277 7.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 9.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 9.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 1 15 2 0 0 0 0 1 57 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 22 3 1 6 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 6 24 1 0 0 0 0 6 28 1 0 0 0 0 7 31 1 0 0 0 0 7 36 1 0 0 0 0 8 39 1 0 0 0 0 8 41 1 0 0 0 0 9 44 1 0 0 0 0 9 46 1 0 0 0 0 10 34 2 0 0 0 0 40 11 1 1 0 0 0 11 54 1 0 0 0 0 52 12 1 1 0 0 0 12114 1 0 0 0 0 13120 1 0 0 0 0 16 56 1 0 0 0 0 16115 1 0 0 0 0 16116 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 58 1 6 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 59 1 6 0 0 0 19 60 1 6 0 0 0 20 23 1 0 0 0 0 20 61 1 6 0 0 0 21 24 1 0 0 0 0 21 62 1 1 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 65 1 6 0 0 0 25 27 1 0 0 0 0 25 66 1 1 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 71 1 6 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 31 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 33 1 0 0 0 0 31 76 1 1 0 0 0 32 34 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 38 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 37 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 35 81 1 1 0 0 0 36 38 1 0 0 0 0 36 42 1 0 0 0 0 36 82 1 6 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 51 2 0 0 0 0 39 43 1 0 0 0 0 39 85 1 6 0 0 0 40 41 1 0 0 0 0 40 86 1 0 0 0 0 41 47 1 1 0 0 0 41 87 1 0 0 0 0 42 45 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 44 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 50 1 0 0 0 0 44 92 1 6 0 0 0 45 46 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 48 1 0 0 0 0 46 95 1 6 0 0 0 47 52 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 49 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 1 0 0 0 49100 1 0 0 0 0 50 55 2 0 0 0 0 51101 1 0 0 0 0 51102 1 0 0 0 0 52 56 1 0 0 0 0 52103 1 0 0 0 0 53104 1 0 0 0 0 53105 1 0 0 0 0 53106 1 0 0 0 0 54107 1 0 0 0 0 54108 1 0 0 0 0 54109 1 0 0 0 0 55110 1 0 0 0 0 55111 1 0 0 0 0 56112 1 0 0 0 0 56113 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 57119 1 0 0 0 0 M END $$$$ D01059 -OEChem-05252109522D 48 47 0 1 0 0 0 0 0999 V2000 8.3531 6.1200 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 10.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 9.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0841 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2181 9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2962 9.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 9.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4132 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 12.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 10.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3531 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1262 11.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5641 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3521 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9491 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3531 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 38 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 20 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 M END $$$$ D01061 -OEChem-05252109522D 144143 0 1 0 0 0 0 0999 V2000 5.1350 -7.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -10.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -11.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 8.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 10.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 11.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 10.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -10.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 7.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 9.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 10.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -9.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -10.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -10.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 3.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 2.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 3.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 4.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 4.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 7.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 7.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -5.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -4.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 8.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 9.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 9.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 8.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -7.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -7.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 8.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 8.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0642 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -5.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -6.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -8.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -9.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 11.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 11.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 10.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 9.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -10.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -10.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -11.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 63 1 0 0 0 0 2 69 1 0 0 0 0 3 39 2 0 0 0 0 4 42 2 0 0 0 0 5 45 2 0 0 0 0 6 50 2 0 0 0 0 7 53 2 0 0 0 0 8 58 2 0 0 0 0 9 59 2 0 0 0 0 10 66 2 0 0 0 0 11 71 1 0 0 0 0 11144 1 0 0 0 0 12 71 2 0 0 0 0 34 13 1 1 0 0 0 13 42 1 0 0 0 0 13 79 1 0 0 0 0 36 14 1 6 0 0 0 14 39 1 0 0 0 0 14 82 1 0 0 0 0 37 15 1 6 0 0 0 15 50 1 0 0 0 0 15 89 1 0 0 0 0 16 45 1 0 0 0 0 47 16 1 1 0 0 0 16 93 1 0 0 0 0 52 17 1 6 0 0 0 17 53 1 0 0 0 0 17105 1 0 0 0 0 51 18 1 1 0 0 0 18 59 1 0 0 0 0 18106 1 0 0 0 0 19 46 1 0 0 0 0 19 62 2 0 0 0 0 20 48 1 0 0 0 0 20 64 2 0 0 0 0 21 49 1 0 0 0 0 21 65 2 0 0 0 0 60 22 1 1 0 0 0 22 66 1 0 0 0 0 22117 1 0 0 0 0 23 58 1 0 0 0 0 23118 1 0 0 0 0 23119 1 0 0 0 0 24 61 1 0 0 0 0 24 67 2 0 0 0 0 25 62 1 0 0 0 0 25120 1 0 0 0 0 25121 1 0 0 0 0 26 62 1 0 0 0 0 26122 1 0 0 0 0 26123 1 0 0 0 0 27 64 1 0 0 0 0 27124 1 0 0 0 0 27125 1 0 0 0 0 28 64 1 0 0 0 0 28126 1 0 0 0 0 28127 1 0 0 0 0 29 65 1 0 0 0 0 29128 1 0 0 0 0 29129 1 0 0 0 0 30 65 1 0 0 0 0 30130 1 0 0 0 0 30131 1 0 0 0 0 31 67 1 0 0 0 0 31137 1 0 0 0 0 31138 1 0 0 0 0 32 67 1 0 0 0 0 32139 1 0 0 0 0 32140 1 0 0 0 0 70 33 1 6 0 0 0 33142 1 0 0 0 0 33143 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 34 72 1 0 0 0 0 35 41 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 38 1 0 0 0 0 36 45 1 0 0 0 0 36 75 1 0 0 0 0 37 40 1 0 0 0 0 37 42 1 0 0 0 0 37 76 1 0 0 0 0 38 43 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 40 44 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 46 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 43 48 1 0 0 0 0 43 85 1 0 0 0 0 43 86 1 0 0 0 0 44 49 1 0 0 0 0 44 87 1 0 0 0 0 44 88 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 53 1 0 0 0 0 47 55 1 0 0 0 0 47 92 1 0 0 0 0 48 94 1 0 0 0 0 48 95 1 0 0 0 0 49 96 1 0 0 0 0 49 97 1 0 0 0 0 50 51 1 0 0 0 0 51 56 1 0 0 0 0 51 98 1 0 0 0 0 52 54 1 0 0 0 0 52 58 1 0 0 0 0 52 99 1 0 0 0 0 54 57 1 0 0 0 0 54100 1 0 0 0 0 54101 1 0 0 0 0 55102 1 0 0 0 0 55103 1 0 0 0 0 55104 1 0 0 0 0 56107 1 0 0 0 0 56108 1 0 0 0 0 56109 1 0 0 0 0 57 61 1 0 0 0 0 57110 1 0 0 0 0 57111 1 0 0 0 0 59 60 1 0 0 0 0 60 63 1 0 0 0 0 60112 1 0 0 0 0 61113 1 0 0 0 0 61114 1 0 0 0 0 63115 1 0 0 0 0 63116 1 0 0 0 0 66 68 1 0 0 0 0 68132 1 0 0 0 0 68133 1 0 0 0 0 68134 1 0 0 0 0 69 70 1 0 0 0 0 69135 1 0 0 0 0 69136 1 0 0 0 0 70 71 1 0 0 0 0 70141 1 0 0 0 0 M END $$$$ D01063 -OEChem-05252109522D 65 63 0 0 0 0 0 0 0999 V2000 0.5369 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 11.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 7.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 8.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 7.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 9.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 8.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0073 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4058 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 6.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 5.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 11.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 10.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 10.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 11.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 11.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4306 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 0.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 58 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 65 1 0 0 0 0 4 23 1 0 0 0 0 4 63 1 0 0 0 0 4 64 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 21 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 M END $$$$ D01065 -OEChem-05252109522D 34 35 0 1 0 0 0 0 0999 V2000 3.3014 2.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 0.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 2.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7661 3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -1.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 1.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 3.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2296 2.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3726 3.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 4.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 4.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 1 0 0 0 5 19 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END $$$$ D01069 -OEChem-05252109522D 73 76 0 0 0 0 0 0 0999 V2000 3.8660 -1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2289 2.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0379 3.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2070 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7070 2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6089 2.2555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1641 1.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5395 4.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7279 4.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0154 1.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7734 1.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2086 2.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1219 3.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6569 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8598 4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7908 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 17 1 0 0 0 0 6 50 1 0 0 0 0 7 25 1 0 0 0 0 7 33 1 0 0 0 0 7 68 1 0 0 0 0 8 30 1 0 0 0 0 8 35 1 0 0 0 0 8 69 1 0 0 0 0 9 33 2 0 0 0 0 9 35 1 0 0 0 0 10 35 2 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 60 1 0 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 25 29 1 0 0 0 0 26 31 1 0 0 0 0 26 62 1 0 0 0 0 27 32 2 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 M END $$$$ D01071 -OEChem-05252109522D 19 17 0 0 0 0 0 0 0999 V2000 5.6039 -0.7078 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 2.5123 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -1.3313 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2236 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 -1.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6039 0.2922 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2321 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3311 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 0.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -0.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 0.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 4 1 3 3 -1 5 -1 6 -1 M END $$$$ D01072 -OEChem-05252109522D 43 42 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 12 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 20 2 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 27 2 0 0 0 0 24 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 4 1 3 5 -1 6 -1 7 -1 M END $$$$ D01073 -OEChem-05252109522D 9 6 0 0 0 0 0 0 0999 V2000 4.5981 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M END $$$$ D01077 -OEChem-05252109522D 48 52 0 1 0 0 0 0 0999 V2000 5.0749 1.5147 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5553 2.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2050 1.0422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3332 2.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 -0.4853 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.5669 -0.5200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -2.4853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5553 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -1.6832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0453 -2.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0453 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1671 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 -1.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 -0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 1.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4730 1.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 -1.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3370 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1560 -1.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1553 -0.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5005 -2.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 -2.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9306 -2.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1459 -3.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6303 -2.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 0.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 0.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0379 -2.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -1.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -2.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -2.7613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -3.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0087 -0.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 2.1347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7407 1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 27 2 0 0 0 0 4 29 1 0 0 0 0 4 48 1 0 0 0 0 5 29 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 41 1 0 0 0 0 9 28 3 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 6 0 0 0 12 16 1 0 0 0 0 12 32 1 1 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 24 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 28 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 M END $$$$ D01081 -OEChem-05252109522D 51 52 0 0 0 0 0 0 0999 V2000 8.0622 7.7500 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 5.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 6.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -8.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 0 0 0 0 5 46 1 0 0 0 0 6 14 2 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 24 2 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M ISO 1 1 18 M END $$$$ D01082 -OEChem-05252109522D 30 33 0 0 0 0 0 0 0999 V2000 10.9641 0.5743 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.8518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -0.5896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 0.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3374 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9867 0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 1.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -2.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -1.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 1.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 1.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 -1.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 13 2 0 0 0 0 3 16 1 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 M ISO 1 1 18 M END $$$$ D01084 -OEChem-05252109522D 37 39 0 1 0 0 0 0 0999 V2000 5.9134 3.4584 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 0.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6146 -1.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 1.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 2.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 4.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 3.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 3.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.7553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -3.3648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 -0.4974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8083 0.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 -0.8048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8578 0.8132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5504 1.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3595 -0.2169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7124 1.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 -1.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 0.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0025 1.4747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1814 -0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9950 4.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 15 4 1 6 0 0 0 4 31 1 0 0 0 0 16 5 1 1 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 17 10 1 6 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 20 2 0 0 0 0 12 24 1 0 0 0 0 13 23 1 0 0 0 0 13 24 2 0 0 0 0 14 23 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 6 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 M END $$$$ D01085 -OEChem-05252109522D 23 23 0 1 0 0 0 0 0999 V2000 6.0010 -1.0000 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 7 3 1 6 0 0 0 3 20 1 0 0 0 0 8 4 1 1 0 0 0 4 21 1 0 0 0 0 11 5 1 6 0 0 0 5 22 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M ISO 1 1 18 M END $$$$ D01087 -OEChem-05252109522D 36 38 0 0 0 0 0 0 0999 V2000 2.0000 0.5840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 2.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 -1.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 0.0278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.7430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 1.4477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -1.9044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 0.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 0.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -1.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4147 -0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0162 -1.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6266 -2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3475 1.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3299 2.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0403 2.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2127 2.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 1.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5656 -1.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8286 -0.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 -2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0050 -2.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1177 -1.9702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$ D01088 -OEChem-05252109522D 62 66 0 1 0 0 0 0 0999 V2000 2.9438 -0.8087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 2.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 16 4 1 1 0 0 0 4 51 1 0 0 0 0 5 22 2 0 0 0 0 6 26 1 0 0 0 0 6 62 1 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 1 0 0 0 11 13 1 0 0 0 0 11 22 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 6 0 0 0 13 14 1 0 0 0 0 13 35 1 1 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 23 29 2 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 30 2 0 0 0 0 25 50 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 M END $$$$ D01089 -OEChem-05252109522D 62 66 0 1 0 0 0 0 0999 V2000 5.9499 1.6551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 -0.8087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 2.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 21 2 1 6 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 17 5 1 1 0 0 0 5 51 1 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 62 1 0 0 0 0 8 32 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 6 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 34 1 1 0 0 0 12 14 1 0 0 0 0 12 22 1 1 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 1 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 31 2 0 0 0 0 26 50 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 M END $$$$ D01090 -OEChem-05252109522D 67 71 0 1 0 0 0 0 0999 V2000 5.9499 1.6551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 -0.8087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6261 -1.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5224 -0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 2.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6959 -0.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8338 0.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9679 0.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 22 2 1 6 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 24 1 0 0 0 0 18 5 1 1 0 0 0 5 54 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 34 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 6 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 12 37 1 1 0 0 0 13 15 1 0 0 0 0 13 23 1 1 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 1 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 32 2 0 0 0 0 27 53 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 34 35 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END $$$$ D01091 -OEChem-05252109522D 37 38 0 0 0 0 0 0 0999 V2000 3.9801 2.7070 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -2.1998 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.6965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 1.9411 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0365 0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 -0.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 -3.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 0.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -0.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 22 1 0 0 0 0 5 23 2 0 0 0 0 6 27 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 19 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 20 2 0 0 0 0 14 28 1 0 0 0 0 15 21 2 0 0 0 0 15 29 1 0 0 0 0 16 24 2 0 0 0 0 16 27 1 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 25 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 M CHG 4 1 1 2 1 4 -1 6 -1 M END $$$$ D01092 -OEChem-05252109522D 25 25 0 1 0 0 0 0 0999 V2000 2.0000 -0.1550 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 25 1 0 0 0 0 5 13 2 0 0 0 0 8 6 1 1 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 M ISO 1 1 18 M END $$$$ D01093 -OEChem-05252109522D 44 47 0 1 0 0 0 0 0999 V2000 10.4586 0.3575 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 9.1857 2.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.8575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -0.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.6425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -0.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 1.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 0.3575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 -1.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -1.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -0.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 0.2825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 1.2585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.8325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -0.7564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 1.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 0.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -2.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7924 2.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -2.8606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 8 2 1 1 0 0 0 2 40 1 0 0 0 0 3 21 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 1 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 6 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 1 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 6 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 M ISO 1 1 18 M END $$$$ D01094 -OEChem-05252109522D 56 59 0 1 0 0 0 0 0999 V2000 5.0182 0.8578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.9775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 0.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.4083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 1.3964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.0917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 -0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7510 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -1.9775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 0.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.4640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -0.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -0.8276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 2.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -0.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -0.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 0.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 1.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 2.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 2.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 1.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 0.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 2.2117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -2.9799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6513 -3.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -2.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8090 1.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6281 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 2.1405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 10 2 1 6 0 0 0 2 47 1 0 0 0 0 12 3 1 1 0 0 0 3 48 1 0 0 0 0 4 20 2 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 1 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 29 1 1 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 1 0 0 0 14 22 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 24 2 0 0 0 0 20 26 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 25 2 0 0 0 0 22 46 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 M END $$$$ D01095 -OEChem-05252109522D 12 12 0 0 0 0 0 0 0999 V2000 2.0000 1.3100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 12 1 0 0 0 0 M END $$$$ D01098 -OEChem-05252109522D 64 68 0 1 0 0 0 0 0999 V2000 2.9438 -0.8087 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3440 0.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 2.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 2.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 2.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 3.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1754 -0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 1 6 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 16 4 1 1 0 0 0 4 52 1 0 0 0 0 5 22 2 0 0 0 0 6 28 1 0 0 0 0 6 64 1 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 1 0 0 0 11 14 1 0 0 0 0 11 22 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 6 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 1 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 1 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 21 46 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 31 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END $$$$ D01100 -OEChem-05252109522D 30 32 0 0 0 0 0 0 0999 V2000 6.0812 0.4387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 1.3660 0.0000 F -1 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6648 -0.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8548 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8548 -1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4748 -1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7018 -0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 3 30 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 25 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M ISO 1 2 18 M END $$$$ D01101 -OEChem-05252109522D 65 68 0 1 0 0 0 0 0999 V2000 10.0622 1.0652 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 0.3484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.4869 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 1.2432 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 2.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 0.5824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 1.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 3.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 0.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 4.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2198 2.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 2.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 33 1 0 0 0 0 13 2 1 6 0 0 0 22 3 1 6 0 0 0 4 33 1 0 0 0 0 14 5 1 6 0 0 0 5 30 1 0 0 0 0 18 6 1 1 0 0 0 6 56 1 0 0 0 0 7 25 2 0 0 0 0 8 30 2 0 0 0 0 9 31 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 21 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 6 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 36 1 1 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 24 1 6 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 28 2 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END $$$$ D01103 -OEChem-05252109522D 123124 0 1 0 0 0 0 0999 V2000 18.4197 1.4151 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.5311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 12.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.6001 11.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6001 11.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.5311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 7.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3681 8.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 7.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 7.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5075 3.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8264 0.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5061 1.0084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7548 14.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6208 16.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8887 16.8411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3332 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4868 14.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2189 15.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 5.0311 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.8438 3.9378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0348 2.5366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0130 2.3287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.8256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1567 15.8411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 5.5311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1982 6.5311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9303 5.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 6.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 8.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9303 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 5.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 5.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 4.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 3.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 10.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 9.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7548 15.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 8.8256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6208 15.8411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 8.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8887 15.8411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 8.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4868 15.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6001 11.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 8.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0227 15.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3528 15.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2907 15.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 5.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1423 4.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5409 5.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5409 6.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1423 7.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4537 4.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8522 3.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 7.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 6.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5082 7.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 8.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8882 9.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9727 4.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 7.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 9.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2917 15.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 9.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 9.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0839 16.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4257 16.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 8.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0238 15.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6242 14.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4213 14.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 9.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 9.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7514 16.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9543 16.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4620 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4413 0.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2178 14.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1577 17.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1567 16.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 10.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3518 17.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 7.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0238 14.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 8.8625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 7.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9807 15.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 15.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6007 14.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 8.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7558 15.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 20 2 0 0 0 0 1 28 1 0 0 0 0 2 45 1 0 0 0 0 3 60 1 0 0 0 0 4 60 1 0 0 0 0 5 60 1 0 0 0 0 6 61 1 0 0 0 0 7 61 1 0 0 0 0 8 61 1 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 32 10 1 1 0 0 0 37 10 1 1 0 0 0 11 46 2 0 0 0 0 12104 1 0 0 0 0 13105 1 0 0 0 0 52 14 1 6 0 0 0 14106 1 0 0 0 0 53 15 1 6 0 0 0 15107 1 0 0 0 0 54 16 1 6 0 0 0 16108 1 0 0 0 0 55 17 1 6 0 0 0 17109 1 0 0 0 0 56 18 1 6 0 0 0 18112 1 0 0 0 0 57 19 1 6 0 0 0 19113 1 0 0 0 0 58 21 1 1 0 0 0 21114 1 0 0 0 0 59 22 1 1 0 0 0 22115 1 0 0 0 0 23 64 1 0 0 0 0 23122 1 0 0 0 0 24 65 1 0 0 0 0 24123 1 0 0 0 0 25 31 1 0 0 0 0 25 33 1 0 0 0 0 25 35 1 0 0 0 0 26 38 1 0 0 0 0 26 46 1 0 0 0 0 26 82 1 0 0 0 0 27 28 1 0 0 0 0 27 38 2 0 0 0 0 28 46 1 0 0 0 0 29 62 1 0 0 0 0 29 66 1 0 0 0 0 29110 1 0 0 0 0 30 63 1 0 0 0 0 30 67 1 0 0 0 0 30111 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 1 0 0 0 31 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 38 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 37 76 1 0 0 0 0 39 43 1 0 0 0 0 39 77 1 0 0 0 0 40 44 2 0 0 0 0 40 78 1 0 0 0 0 41 47 2 0 0 0 0 41 48 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 45 2 0 0 0 0 43 83 1 0 0 0 0 44 45 1 0 0 0 0 44 84 1 0 0 0 0 47 49 1 0 0 0 0 47 85 1 0 0 0 0 48 50 2 0 0 0 0 48 86 1 0 0 0 0 49 51 2 0 0 0 0 49 61 1 0 0 0 0 50 51 1 0 0 0 0 50 60 1 0 0 0 0 51 89 1 0 0 0 0 52 54 1 0 0 0 0 52 56 1 0 0 0 0 52 87 1 0 0 0 0 53 55 1 0 0 0 0 53 57 1 0 0 0 0 53 88 1 0 0 0 0 54 58 1 0 0 0 0 54 90 1 0 0 0 0 55 59 1 0 0 0 0 55 91 1 0 0 0 0 56 62 1 0 0 0 0 56 92 1 0 0 0 0 57 63 1 0 0 0 0 57 93 1 0 0 0 0 58 64 1 0 0 0 0 58 94 1 0 0 0 0 59 65 1 0 0 0 0 59 95 1 0 0 0 0 62 96 1 0 0 0 0 62 97 1 0 0 0 0 63 98 1 0 0 0 0 63 99 1 0 0 0 0 64100 1 0 0 0 0 64101 1 0 0 0 0 65102 1 0 0 0 0 65103 1 0 0 0 0 66116 1 0 0 0 0 66117 1 0 0 0 0 66118 1 0 0 0 0 67119 1 0 0 0 0 67120 1 0 0 0 0 67121 1 0 0 0 0 M END $$$$ D01104 -OEChem-05252109522D 10 6 0 0 0 0 0 0 0999 V2000 3.7320 -0.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.2320 0.5490 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.5490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 8 -1 M END $$$$ D01105 -OEChem-05252109522D 34 33 0 1 0 0 0 0 0999 V2000 2.9030 1.3100 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4055 7.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 9.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 5.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 6.9820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0369 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5369 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 7.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5395 7.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 8.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 6.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 1.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 8.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 8.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 8.7465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 7.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 6.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 7.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 7.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 6.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9424 7.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3635 9.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 5.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 10 1 1 1 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 1 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$ D01106 -OEChem-05252109522D 40 40 0 0 0 0 0 0 0999 V2000 7.6632 2.5772 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.9900 3.6906 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.7765 1.2504 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2451 0.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 -0.3398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 3.5169 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6029 2.2352 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7235 2.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -1.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 0.5242 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 -0.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 -0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 -0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -1.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -3.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -3.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -1.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -1.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 2.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 1.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 0.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -3.5006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -2.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -4.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 17 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 25 2 0 0 0 0 21 34 1 0 0 0 0 22 26 2 0 0 0 0 22 35 1 0 0 0 0 23 27 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 4 2 1 3 1 7 -1 8 -1 M END $$$$ D01107 -OEChem-05252109522D 66 69 0 0 0 0 0 0 0999 V2000 14.1961 -2.3212 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 2.1546 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 2.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0621 0.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 -1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 -3.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 -2.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1961 -2.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 3.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.1788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 0.1441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 0.1546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 0.1479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.1413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 1.6446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6961 2.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 -0.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 2.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6640 0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6640 1.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9320 0.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 2.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 -0.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 1.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8161 1.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1961 2.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2330 2.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0061 3.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1592 2.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7195 -0.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1180 -1.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5773 2.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1283 2.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -0.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3383 -0.4787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 1.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -0.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7330 -3.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5061 -2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0578 2.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -0.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 -0.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0323 4.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 3.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 3.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 2.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 1.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 29 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 6 55 1 0 0 0 0 7 56 1 0 0 0 0 9 34 1 0 0 0 0 9 38 1 0 0 0 0 10 35 1 0 0 0 0 10 39 1 0 0 0 0 11 36 1 0 0 0 0 11 40 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 24 1 0 0 0 0 13 20 1 0 0 0 0 13 26 2 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 51 1 0 0 0 0 15 28 2 0 0 0 0 15 30 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 52 1 0 0 0 0 17 30 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 20 23 2 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 29 37 2 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 35 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 37 57 1 0 0 0 0 38 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END $$$$ D01108 -OEChem-05252109522D 67 71 0 0 0 0 0 0 0999 V2000 6.4999 -4.3013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 -0.1722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 5.1185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 1.1102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 0.6107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 -3.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 -5.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4504 -3.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -4.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 1.5227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 3.4237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.1941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -3.3893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -1.8893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -3.9771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4784 1.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7890 2.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1427 3.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -1.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 4.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 0.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4836 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 -3.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 4.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -0.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0782 3.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 5.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0567 4.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 5.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 4.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 1.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0922 1.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2851 2.5590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 1.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 2.3874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1716 3.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 3.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 3.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1036 -1.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -3.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -3.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 -0.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 3.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 5.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4865 -3.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 3.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8921 6.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 5.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 1.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6848 1.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9118 0.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -5.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -6.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4172 -5.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 -4.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 21 2 0 0 0 0 3 25 2 0 0 0 0 4 26 2 0 0 0 0 5 29 1 0 0 0 0 5 40 1 0 0 0 0 6 30 1 0 0 0 0 7 66 1 0 0 0 0 8 67 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 25 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 35 1 0 0 0 0 14 28 2 0 0 0 0 14 32 1 0 0 0 0 15 38 2 0 0 0 0 16 35 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 27 50 1 0 0 0 0 29 32 2 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 53 1 0 0 0 0 33 36 1 0 0 0 0 33 54 1 0 0 0 0 34 37 2 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 36 39 2 0 0 0 0 36 57 1 0 0 0 0 37 39 1 0 0 0 0 37 58 1 0 0 0 0 38 41 1 0 0 0 0 39 59 1 0 0 0 0 40 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 M END $$$$ D01111 -OEChem-05252109522D 63 62 0 1 0 0 0 0 0999 V2000 2.0000 3.0109 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 7.4803 2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 1.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 3.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -4.2121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9914 2.8804 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6218 -3.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 1.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -3.7028 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8164 -2.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 0.9021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3872 -1.7016 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7483 0.9021 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7483 -1.5121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 1.4021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4803 -0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7483 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 2.4021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4213 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -1.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9960 -2.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 -3.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 1.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -2.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 0.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 0.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0807 0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0128 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3596 -1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -0.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 0.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 1.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8094 2.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -2.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -2.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 0.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 0.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8138 0.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6109 0.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 -0.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -0.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 -0.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -1.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4244 2.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8229 3.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5189 -2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4148 -2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 1.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 2.4454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 -3.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 -2.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 3.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 1.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7493 4.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 2 1 6 0 0 0 2 61 1 0 0 0 0 3 23 1 0 0 0 0 3 62 1 0 0 0 0 4 26 1 0 0 0 0 4 63 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 32 1 0 0 0 0 10 32 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 27 1 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 28 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 15 23 1 1 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 26 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 M CHG 4 1 3 5 -1 6 -1 9 -1 M END $$$$ D01112 -OEChem-05252109522D 56 54 0 1 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 27 2 0 0 0 0 9 28 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 13 25 1 0 0 0 0 13 29 1 0 0 0 0 13 49 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 25 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 26 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 27 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 28 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M CHG 4 1 3 2 -1 6 -1 7 -1 M END $$$$ D01113 -OEChem-05252109522D 93 91 0 1 0 0 0 0 0999 V2000 10.4282 -0.9151 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0490 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.9510 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0490 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0490 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -0.9151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4282 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0490 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7339 3.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 3.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9076 4.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4397 3.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8473 5.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0490 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6133 4.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 6.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 3.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 3.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 2.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 2.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4326 5.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9146 3.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 5.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 6.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1959 4.6891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9842 6.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -3.6316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -4.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -4.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -4.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -4.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 6 26 1 0 0 0 0 7 42 1 0 0 0 0 10 49 1 0 0 0 0 11 50 1 0 0 0 0 12 49 2 0 0 0 0 13 50 2 0 0 0 0 14 51 1 0 0 0 0 15 51 2 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 18 54 2 0 0 0 0 19 55 2 0 0 0 0 20 39 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 28 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 2 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 65 1 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 33 37 2 0 0 0 0 33 67 1 0 0 0 0 34 38 2 0 0 0 0 34 68 1 0 0 0 0 35 40 2 0 0 0 0 35 69 1 0 0 0 0 36 41 2 0 0 0 0 36 70 1 0 0 0 0 37 40 1 0 0 0 0 37 71 1 0 0 0 0 38 41 1 0 0 0 0 38 72 1 0 0 0 0 39 42 1 0 0 0 0 39 43 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 44 48 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 49 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 50 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 51 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 52 54 1 0 0 0 0 52 90 1 0 0 0 0 52 91 1 0 0 0 0 53 55 1 0 0 0 0 53 92 1 0 0 0 0 53 93 1 0 0 0 0 M CHG 8 1 3 3 1 4 1 5 1 8 -1 10 -1 11 -1 14 -1 M CHG 2 16 -1 17 -1 M END $$$$ D01114 -OEChem-05252109522D 154163 0 1 0 0 0 0 0999 V2000 5.9348 6.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 7.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5748 6.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -7.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -9.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -10.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 4.5700 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7945 3.5284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6706 5.0733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6946 3.0041 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6668 6.0733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7988 6.5700 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1687 5.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7071 1.9192 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9386 5.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 4.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 3.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 1.3731 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5946 3.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5748 6.5836 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8321 1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9304 4.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7565 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6966 1.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5712 2.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 7.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7096 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 8.1426 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0681 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 -0.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6671 9.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7972 9.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7895 10.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 9.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.3259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -2.8259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -4.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -3.3259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -5.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 -2.8259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -6.3258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -4.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -5.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 -4.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.3258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -7.8258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -8.8259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -8.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -9.3259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2040 5.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 2.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 5.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 5.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6644 5.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3276 5.1719 0.0000 H 0 0 0 0 0 0 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0 0 65137 1 0 0 0 0 66138 1 0 0 0 0 67140 1 0 0 0 0 67141 1 0 0 0 0 68 69 1 0 0 0 0 68143 1 0 0 0 0 69 70 1 0 0 0 0 69146 1 0 0 0 0 70 72 1 0 0 0 0 70148 1 0 0 0 0 71 72 1 0 0 0 0 71149 1 0 0 0 0 71150 1 0 0 0 0 72151 1 0 0 0 0 M END $$$$ D01115 -OEChem-05252109522D 56 56 0 0 0 0 0 0 0999 V2000 9.2194 -2.9872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8879 -3.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6147 3.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 -1.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 -1.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 1.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0105 -1.5310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 1.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 -1.3415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3715 1.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 -1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 -1.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 1.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 0.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5105 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6192 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9696 1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1127 -2.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9888 1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9696 2.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 -2.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 2.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5367 -2.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 -2.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6361 2.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 2.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 0.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 1.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 0.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 0.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3544 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -0.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0754 -0.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 -0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9828 -1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9906 -0.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5223 0.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 0.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -2.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8057 -2.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1816 0.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.9251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7303 -2.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 2.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8341 -2.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 3.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -3.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 53 1 0 0 0 0 2 26 1 0 0 0 0 2 54 1 0 0 0 0 3 27 1 0 0 0 0 3 55 1 0 0 0 0 4 28 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END $$$$ D01116 -OEChem-05252109522D 58 57 0 1 0 0 0 0 0999 V2000 2.0000 3.3560 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 9.2124 3.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -3.8671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9914 3.2254 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6218 -3.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 1.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2647 -3.3578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8164 -1.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 1.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3872 -1.3566 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7483 1.2471 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7483 -1.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6143 1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8872 -0.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7483 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4213 -1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 0.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0412 -0.4600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 2.7471 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9960 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 2.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4894 -2.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 3.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6133 -3.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 2.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 -2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8991 0.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0807 0.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0128 2.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 2.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3596 -0.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 -0.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 0.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 1.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -1.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -2.1773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 1.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 0.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2221 -0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -0.3463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4423 -0.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5584 1.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9569 1.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3463 3.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5189 -2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4148 -1.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 2.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 2.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 -2.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 -2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7903 3.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9434 3.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 2.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 3.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 2 58 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 29 1 0 0 0 0 8 29 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 23 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 24 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 M CHG 4 1 3 3 -1 4 -1 7 -1 M END $$$$ D01117 -OEChem-05252109522D 68 65 0 1 0 0 0 0 0999 V2000 8.9282 -2.0000 0.0000 Gd 0 1 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 36 1 0 0 0 0 4 39 1 0 0 0 0 5 31 1 0 0 0 0 6 31 2 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 32 2 0 0 0 0 10 33 2 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 13 37 2 0 0 0 0 14 38 2 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 31 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 32 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 33 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 34 1 0 0 0 0 27 56 1 0 0 0 0 28 35 2 0 0 0 0 28 57 1 0 0 0 0 29 37 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 38 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 34 36 2 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 39 40 1 0 0 0 0 39 64 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 M CHG 8 1 3 2 1 3 1 5 -1 7 -1 8 -1 11 -1 12 -1 M END $$$$ D01119 -OEChem-05252109522D 19 17 0 0 0 0 0 0 0999 V2000 5.6039 -0.7078 0.0000 Ga -2 1 0 0 0 0 0 0 0 0 0 0 2.5123 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -1.3313 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2236 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6039 0.2922 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5048 -1.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0446 1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2321 -1.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3311 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 0.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 0.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -0.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 4 1 3 3 -1 5 -1 6 -1 M ISO 1 1 67 M END $$$$ D01120 -OEChem-05252109522D 188192 0 1 0 0 0 0 0999 V2000 2.0000 2.0995 0.0000 Ga 0 1 0 0 0 0 0 0 0 0 0 0 12.2670 0.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -0.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 7.3545 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4197 2.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5186 5.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6458 0.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 2.8066 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9318 1.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6689 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 5.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 4.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5015 5.3762 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4368 1.7890 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3461 2.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 -3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4040 -0.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 -7.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5015 5.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 4.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4709 1.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 3.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 2.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6689 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1188 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 3.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 -3.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2670 4.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5971 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8650 -4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4631 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1273 6.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3291 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 1.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2670 -2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7311 -5.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2369 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 -1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9990 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4322 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9048 -1.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 -6.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 -1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5476 -2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8833 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5261 -2.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1939 -2.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6689 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4631 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2670 7.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1330 7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4631 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5971 4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3277 4.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 5.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4134 3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0813 5.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 5.9861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 2.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 5.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 4.4071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 1.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7809 0.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4088 3.1953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 3.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9849 2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 1.4313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0674 5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2704 5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 6.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 6.9195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4956 0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 0.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 3.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8723 3.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4009 5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2545 -4.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6530 -4.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0646 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8616 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3416 -4.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9431 -4.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3450 4.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7436 4.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2680 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0031 -2.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6699 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1205 -5.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5190 -6.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8091 1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2077 1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6699 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9570 -1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9707 0.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0549 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6564 1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2077 -6.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8091 -5.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6542 0.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1335 -3.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0909 -1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7109 -2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2973 -0.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6130 -1.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0115 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5359 5.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 5.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7187 -3.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8006 -2.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1941 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0001 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 -7.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0602 -7.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5359 7.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7300 7.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8029 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1330 8.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1941 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0001 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4508 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6908 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6678 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1340 5.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 76 1 0 0 0 0 3 86 1 0 0 0 0 4 49 2 0 0 0 0 5 56 1 0 0 0 0 6 57 1 0 0 0 0 7 56 2 0 0 0 0 8 57 2 0 0 0 0 9 59 1 0 0 0 0 10 59 2 0 0 0 0 11 60 2 0 0 0 0 12 63 2 0 0 0 0 13 64 2 0 0 0 0 14 68 2 0 0 0 0 71 15 1 1 0 0 0 15172 1 0 0 0 0 16 72 2 0 0 0 0 17 77 2 0 0 0 0 18 89 2 0 0 0 0 98 19 1 1 0 0 0 19186 1 0 0 0 0 20 99 1 0 0 0 0 20187 1 0 0 0 0 21100 1 0 0 0 0 21188 1 0 0 0 0 22100 2 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 45 1 0 0 0 0 24 39 1 0 0 0 0 24 41 1 0 0 0 0 24 46 1 0 0 0 0 25 40 1 0 0 0 0 25 42 1 0 0 0 0 25 47 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 51 27 1 6 0 0 0 27129 1 0 0 0 0 28 50 1 0 0 0 0 28 60 1 0 0 0 0 28138 1 0 0 0 0 29 52 1 0 0 0 0 29 68 1 0 0 0 0 29140 1 0 0 0 0 30 63 1 0 0 0 0 30 66 1 0 0 0 0 30145 1 0 0 0 0 31 64 1 0 0 0 0 65 31 1 6 0 0 0 31148 1 0 0 0 0 32 61 1 0 0 0 0 32 72 1 0 0 0 0 32149 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33156 1 0 0 0 0 34 77 1 0 0 0 0 34 80 1 0 0 0 0 34159 1 0 0 0 0 35 78 1 0 0 0 0 35173 1 0 0 0 0 35174 1 0 0 0 0 36 89 1 0 0 0 0 94 36 1 1 0 0 0 36178 1 0 0 0 0 37 39 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38 40 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 39106 1 0 0 0 0 39107 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 41 43 1 0 0 0 0 41110 1 0 0 0 0 41111 1 0 0 0 0 42 44 1 0 0 0 0 42112 1 0 0 0 0 42113 1 0 0 0 0 43114 1 0 0 0 0 43115 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45 49 1 0 0 0 0 45118 1 0 0 0 0 45119 1 0 0 0 0 46 56 1 0 0 0 0 46120 1 0 0 0 0 46121 1 0 0 0 0 47 57 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 48 59 1 0 0 0 0 48124 1 0 0 0 0 48125 1 0 0 0 0 50 53 1 1 0 0 0 50 63 1 0 0 0 0 50126 1 0 0 0 0 51 58 1 0 0 0 0 51 64 1 0 0 0 0 51127 1 0 0 0 0 52 54 1 6 0 0 0 52 60 1 0 0 0 0 52128 1 0 0 0 0 53 55 1 0 0 0 0 53130 1 0 0 0 0 53131 1 0 0 0 0 54 62 1 0 0 0 0 54132 1 0 0 0 0 54133 1 0 0 0 0 55 67 1 0 0 0 0 55134 1 0 0 0 0 55135 1 0 0 0 0 58 73 1 0 0 0 0 58136 1 0 0 0 0 58137 1 0 0 0 0 61 68 1 0 0 0 0 61 70 1 1 0 0 0 61139 1 0 0 0 0 62 69 1 0 0 0 0 62 74 2 0 0 0 0 65 72 1 0 0 0 0 65 76 1 0 0 0 0 65142 1 0 0 0 0 66 71 1 0 0 0 0 66 77 1 0 0 0 0 66141 1 1 0 0 0 67 78 1 0 0 0 0 67143 1 0 0 0 0 67144 1 0 0 0 0 69 75 1 0 0 0 0 69 81 2 0 0 0 0 70 79 1 0 0 0 0 70146 1 0 0 0 0 70147 1 0 0 0 0 71 82 1 0 0 0 0 71150 1 0 0 0 0 73 84 2 0 0 0 0 73 85 1 0 0 0 0 74151 1 0 0 0 0 75 83 2 0 0 0 0 76152 1 0 0 0 0 76153 1 0 0 0 0 78154 1 0 0 0 0 78155 1 0 0 0 0 79 90 2 0 0 0 0 79 91 1 0 0 0 0 80 86 1 0 0 0 0 80 89 1 6 0 0 0 80157 1 0 0 0 0 81 87 1 0 0 0 0 81158 1 0 0 0 0 82160 1 0 0 0 0 82161 1 0 0 0 0 82162 1 0 0 0 0 83 88 1 0 0 0 0 83163 1 0 0 0 0 84 92 1 0 0 0 0 84166 1 0 0 0 0 85 93 2 0 0 0 0 85167 1 0 0 0 0 86164 1 0 0 0 0 86165 1 0 0 0 0 87 88 2 0 0 0 0 87168 1 0 0 0 0 88169 1 0 0 0 0 90 96 1 0 0 0 0 90170 1 0 0 0 0 91 97 2 0 0 0 0 91171 1 0 0 0 0 92 95 2 0 0 0 0 92175 1 0 0 0 0 93 95 1 0 0 0 0 93176 1 0 0 0 0 94 98 1 0 0 0 0 94100 1 0 0 0 0 94177 1 0 0 0 0 95179 1 0 0 0 0 96 99 2 0 0 0 0 96180 1 0 0 0 0 97 99 1 0 0 0 0 97181 1 0 0 0 0 98101 1 0 0 0 0 98182 1 0 0 0 0 101183 1 0 0 0 0 101184 1 0 0 0 0 101185 1 0 0 0 0 M CHG 4 1 3 5 -1 6 -1 9 -1 M END $$$$ D01122 -OEChem-05252109522D 31 31 0 1 0 0 0 0 0999 V2000 6.2068 3.3769 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 2.0470 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 3.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 2.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 0.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3644 0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 3.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 3.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 5.4438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 6.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2558 2.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4467 2.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3590 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3128 4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5807 5.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4467 5.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9992 3.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 0.3242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2823 0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 5.7538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9098 7.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 7.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 11 5 1 6 0 0 0 5 25 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 17 2 0 0 0 0 14 8 1 1 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 17 1 0 0 0 0 9 19 2 0 0 0 0 10 19 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 1 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$ D01123 -OEChem-05252109522D 76 78 0 1 0 0 0 0 0999 V2000 5.4641 0.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 2.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 4.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5382 1.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 3.0287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.1980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.6980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.8020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -0.6980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 1.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7952 2.8551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1373 1.9154 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -2.6980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4380 3.6211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -3.6980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.6980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -4.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 3.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6720 4.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 0.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 1.2668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 3.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5267 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -4.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -4.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 3.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 4.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -4.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1488 1.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1396 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0705 4.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 4.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 3.6113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 0.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 4.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -1.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -1.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6927 2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 1.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 1.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 57 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 6 65 1 0 0 0 0 7 23 1 0 0 0 0 7 66 1 0 0 0 0 8 16 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 17 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 62 1 0 0 0 0 11 24 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 29 1 0 0 0 0 12 33 1 0 0 0 0 12 70 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 M END $$$$ D01124 -OEChem-05252109522D 84 88 0 0 0 0 0 0 0999 V2000 4.5981 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 C 0 0 0 0 0 0 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1 0 0 0 0 78179 1 0 0 0 0 79 84 1 0 0 0 0 79180 1 0 0 0 0 79181 1 0 0 0 0 80 81 1 0 0 0 0 80182 1 0 0 0 0 80183 1 0 0 0 0 81 88 1 0 0 0 0 81187 1 0 0 0 0 81188 1 0 0 0 0 82 89 1 0 0 0 0 82189 1 0 0 0 0 82190 1 0 0 0 0 83 90 1 0 0 0 0 83191 1 0 0 0 0 83192 1 0 0 0 0 84 91 1 0 0 0 0 84193 1 0 0 0 0 84194 1 0 0 0 0 85195 1 0 0 0 0 85196 1 0 0 0 0 85197 1 0 0 0 0 86198 1 0 0 0 0 86199 1 0 0 0 0 86200 1 0 0 0 0 87201 1 0 0 0 0 87202 1 0 0 0 0 87203 1 0 0 0 0 88 92 1 0 0 0 0 88204 1 0 0 0 0 88205 1 0 0 0 0 89 95 1 0 0 0 0 89206 1 0 0 0 0 89207 1 0 0 0 0 90 96 1 0 0 0 0 90208 1 0 0 0 0 90209 1 0 0 0 0 91 97 1 0 0 0 0 91210 1 0 0 0 0 91211 1 0 0 0 0 92 93 1 0 0 0 0 92212 1 0 0 0 0 92213 1 0 0 0 0 93 98 1 0 0 0 0 93214 1 0 0 0 0 93215 1 0 0 0 0 94 99 1 0 0 0 0 94100 1 0 0 0 0 94101 1 0 0 0 0 99217 1 0 0 0 0 99218 1 0 0 0 0 100219 1 0 0 0 0 100220 1 0 0 0 0 101221 1 0 0 0 0 101222 1 0 0 0 0 102105 1 0 0 0 0 102226 1 0 0 0 0 102227 1 0 0 0 0 103106 1 0 0 0 0 103228 1 0 0 0 0 103229 1 0 0 0 0 104107 1 0 0 0 0 104230 1 0 0 0 0 104231 1 0 0 0 0 105111 1 0 0 0 0 105232 1 0 0 0 0 105233 1 0 0 0 0 106112 1 0 0 0 0 106234 1 0 0 0 0 106235 1 0 0 0 0 107113 1 0 0 0 0 107236 1 0 0 0 0 107237 1 0 0 0 0 108114 1 0 0 0 0 108238 1 0 0 0 0 108239 1 0 0 0 0 109115 1 0 0 0 0 109240 1 0 0 0 0 109241 1 0 0 0 0 110116 1 0 0 0 0 110242 1 0 0 0 0 110243 1 0 0 0 0 111244 1 0 0 0 0 111245 1 0 0 0 0 112246 1 0 0 0 0 112247 1 0 0 0 0 113248 1 0 0 0 0 113249 1 0 0 0 0 114117 1 0 0 0 0 114250 1 0 0 0 0 114251 1 0 0 0 0 115118 1 0 0 0 0 115252 1 0 0 0 0 115253 1 0 0 0 0 116119 1 0 0 0 0 116254 1 0 0 0 0 116255 1 0 0 0 0 M END $$$$ D01126 -OEChem-05252109532D 50 53 0 1 0 0 0 0 0999 V2000 9.7619 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.7320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2619 -0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7619 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7619 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8369 0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5719 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 9 3 1 1 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 41 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 28 3 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 29 1 1 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$ D01127 -OEChem-05252109532D 88 84 0 1 0 0 0 0 0999 V2000 4.0747 9.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 10.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 9.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 6.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 10.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 6.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 12.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3147 15.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4486 14.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 9.9485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 5.4485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 9.6035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 11.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 7.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 8.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 6.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 9.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6106 6.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 9.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0156 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 8.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 9.1035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4776 7.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 9.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 6.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 10.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0156 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4486 15.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 8.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 7.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 8.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 6.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 7.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 10.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 7.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 9.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 10.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 5.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 5.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8036 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4050 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8816 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5557 7.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 8.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 9.7235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 9.7585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 8.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4186 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2846 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4186 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 9.2935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 10.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4787 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 9.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 5.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4787 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3956 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6356 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6127 10.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1496 11.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2846 10.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8926 16.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0457 15.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2726 15.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8516 15.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 63 1 0 0 0 0 2 24 2 0 0 0 0 3 33 1 0 0 0 0 3 74 1 0 0 0 0 4 36 1 0 0 0 0 4 75 1 0 0 0 0 5 33 2 0 0 0 0 6 37 1 0 0 0 0 6 76 1 0 0 0 0 7 38 1 0 0 0 0 7 77 1 0 0 0 0 8 37 2 0 0 0 0 9 38 2 0 0 0 0 10 41 1 0 0 0 0 10 84 1 0 0 0 0 11 41 2 0 0 0 0 12 43 1 0 0 0 0 12 88 1 0 0 0 0 13 43 2 0 0 0 0 22 14 1 6 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 23 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 26 16 1 1 0 0 0 16 68 1 0 0 0 0 16 69 1 0 0 0 0 29 17 1 6 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 39 18 1 6 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 33 1 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0.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 2.5000 2.5000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 0.0000 2.5000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 M CHG 4 1 2 2 2 3 2 4 2 M END $$$$ D01130 -OEChem-05252109532D 31 32 0 1 0 0 0 0 0999 V2000 5.2320 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.2010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6340 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 0.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -0.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 -1.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -1.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 3.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$ D01134 -OEChem-05252109532D 183187 0 1 0 0 0 0 0999 V2000 14.1183 6.8305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4732 6.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8721 5.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1148 9.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 8.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9717 6.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0898 11.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 15.8878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 20.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 15.1435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8616 11.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1077 13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1758 10.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6681 13.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6634 23.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7974 22.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4755 5.1357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1613 6.4181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9717 6.1019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8256 7.9067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4732 6.9671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5435 2.2841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8006 10.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9747 7.8305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 18.5604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4649 11.8344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 17.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 14.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9007 0.5893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2544 1.1274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1507 13.1168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 10.8887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 17.7643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7498 19.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4702 5.2385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8754 4.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1311 3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2659 4.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8077 5.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8292 5.6738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9717 6.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5185 4.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1863 3.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 6.9562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1828 6.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5365 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2258 5.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8757 3.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2473 5.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 5.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1578 8.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4684 9.6015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4470 9.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4732 6.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0933 9.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4434 12.0406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2329 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1113 11.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 17.5826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1490 17.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 16.3002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5044 13.6549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7438 18.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7541 12.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 13.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8115 16.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 9.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2995 8.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8871 10.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 19.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 12.3725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4364 16.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 15.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 12.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1722 12.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 12.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7326 13.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 17.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 11.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 11.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0433 14.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4004 12.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 18.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0218 14.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3789 12.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7003 18.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6896 13.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9313 23.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7974 23.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1334 5.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2389 3.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4128 4.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7658 3.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5911 3.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6766 4.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0127 3.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2225 5.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9716 5.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1359 4.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3539 7.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7333 3.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5689 4.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 7.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2808 5.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5159 7.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9226 6.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0332 5.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3288 3.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4931 2.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4323 8.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1641 7.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 6.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6406 5.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3752 4.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4322 4.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3077 4.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3551 5.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8618 9.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9733 10.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2157 10.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1939 10.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 11.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 17.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 17.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 16.8731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 16.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 14.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3802 18.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2063 18.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7335 13.6108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 13.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5947 7.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6656 8.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 14.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 13.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 18.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2723 11.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 17.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1997 8.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6785 9.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9440 10.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6928 8.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4274 7.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9062 8.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4938 10.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7592 10.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2804 10.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4569 15.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 16.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0112 12.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 14.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3433 13.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7081 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5074 0.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 1.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 11.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1254 10.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 11.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 10.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 14.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 11.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 13.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 17.3990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5406 18.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2144 14.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7930 12.1978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 19.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 10.0884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0822 13.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2413 24.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3944 23.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6213 23.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2003 23.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 2 0 0 0 0 2 41 2 0 0 0 0 3 45 2 0 0 0 0 4 53 1 0 0 0 0 4 55 1 0 0 0 0 5 51 2 0 0 0 0 6 54 2 0 0 0 0 7 58 2 0 0 0 0 8 66 2 0 0 0 0 9 70 2 0 0 0 0 10 73 2 0 0 0 0 11 75 2 0 0 0 0 12 76 2 0 0 0 0 13 80 1 0 0 0 0 13178 1 0 0 0 0 14 93 1 0 0 0 0 14179 1 0 0 0 0 15 95 1 0 0 0 0 15183 1 0 0 0 0 16 95 2 0 0 0 0 17 35 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 40 18 1 6 0 0 0 18 45 1 0 0 0 0 18106 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 19110 1 0 0 0 0 44 20 1 6 0 0 0 20 51 1 0 0 0 0 20116 1 0 0 0 0 21 54 1 0 0 0 0 21117 1 0 0 0 0 22 48 1 0 0 0 0 22 57 2 0 0 0 0 52 23 1 6 0 0 0 23 58 1 0 0 0 0 23127 1 0 0 0 0 24 54 1 0 0 0 0 24138 1 0 0 0 0 24139 1 0 0 0 0 25 59 1 0 0 0 0 25 70 1 0 0 0 0 25142 1 0 0 0 0 56 26 1 1 0 0 0 26 76 1 0 0 0 0 26143 1 0 0 0 0 61 27 1 1 0 0 0 27 66 1 0 0 0 0 27144 1 0 0 0 0 62 28 1 6 0 0 0 28 73 1 0 0 0 0 28157 1 0 0 0 0 29 57 1 0 0 0 0 29159 1 0 0 0 0 29160 1 0 0 0 0 30 57 1 0 0 0 0 30161 1 0 0 0 0 30162 1 0 0 0 0 71 31 1 6 0 0 0 31 75 1 0 0 0 0 31158 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32166 1 0 0 0 0 33 79 1 0 0 0 0 33 92 1 0 0 0 0 33171 1 0 0 0 0 34 87 1 0 0 0 0 34 92 2 0 0 0 0 35 36 1 0 0 0 0 35 41 1 6 0 0 0 35 96 1 0 0 0 0 36 37 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 38 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39 40 1 0 0 0 0 40 42 1 0 0 0 0 40103 1 0 0 0 0 42 43 1 0 0 0 0 42104 1 0 0 0 0 42105 1 0 0 0 0 43 48 1 0 0 0 0 43107 1 0 0 0 0 43108 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44109 1 0 0 0 0 46 47 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 47 49 1 0 0 0 0 47 50 1 0 0 0 0 47113 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 49118 1 0 0 0 0 49119 1 0 0 0 0 49120 1 0 0 0 0 50121 1 0 0 0 0 50122 1 0 0 0 0 50123 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52124 1 0 0 0 0 53125 1 0 0 0 0 53126 1 0 0 0 0 55 67 1 0 0 0 0 55 68 1 0 0 0 0 55 69 1 0 0 0 0 56 58 1 0 0 0 0 56 64 1 0 0 0 0 56128 1 0 0 0 0 59 60 1 0 0 0 0 59 66 1 6 0 0 0 59129 1 0 0 0 0 60 63 1 0 0 0 0 60130 1 0 0 0 0 60131 1 0 0 0 0 61 72 1 0 0 0 0 61 73 1 0 0 0 0 61132 1 0 0 0 0 62 65 1 0 0 0 0 62 75 1 0 0 0 0 62133 1 0 0 0 0 63 70 1 0 0 0 0 63134 1 0 0 0 0 63135 1 0 0 0 0 64 77 1 0 0 0 0 64136 1 0 0 0 0 64137 1 0 0 0 0 65 74 1 0 0 0 0 65140 1 0 0 0 0 65141 1 0 0 0 0 67145 1 0 0 0 0 67146 1 0 0 0 0 67147 1 0 0 0 0 68148 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 69151 1 0 0 0 0 69152 1 0 0 0 0 69153 1 0 0 0 0 71 76 1 0 0 0 0 71 80 1 0 0 0 0 71156 1 0 0 0 0 72 79 1 0 0 0 0 72154 1 0 0 0 0 72155 1 0 0 0 0 74 78 1 0 0 0 0 74 81 2 0 0 0 0 77 83 2 0 0 0 0 77 84 1 0 0 0 0 78 82 1 0 0 0 0 78 85 2 0 0 0 0 79 87 2 0 0 0 0 80163 1 0 0 0 0 80164 1 0 0 0 0 81165 1 0 0 0 0 82 86 2 0 0 0 0 83 90 1 0 0 0 0 83167 1 0 0 0 0 84 91 2 0 0 0 0 84168 1 0 0 0 0 85 88 1 0 0 0 0 85169 1 0 0 0 0 86 89 1 0 0 0 0 86170 1 0 0 0 0 87172 1 0 0 0 0 88 89 2 0 0 0 0 88173 1 0 0 0 0 89174 1 0 0 0 0 90 93 2 0 0 0 0 90175 1 0 0 0 0 91 93 1 0 0 0 0 91176 1 0 0 0 0 92177 1 0 0 0 0 94 95 1 0 0 0 0 94180 1 0 0 0 0 94181 1 0 0 0 0 94182 1 0 0 0 0 M END $$$$ D01138 -OEChem-05252109532D 63 67 0 1 0 0 0 0 0999 V2000 10.6092 -0.1850 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9499 1.6551 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 -2.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7828 0.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4739 -0.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6079 -0.2845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -0.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6079 0.7155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6831 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6718 -1.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3399 0.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 1.2501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7140 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -0.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2632 -2.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 2.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7624 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2415 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.3764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3271 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 2.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 2.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8345 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7648 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8908 2.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 3.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4525 -1.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2453 -1.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -3.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -3.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2996 -2.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 -2.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 -1.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -1.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 12 2 1 6 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 16 5 1 1 0 0 0 5 52 1 0 0 0 0 6 22 2 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 33 1 1 0 0 0 11 14 1 0 0 0 0 11 22 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 1 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 1 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 31 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 M END $$$$ D01139 -OEChem-05252109532D 64 67 0 1 0 0 0 0 0999 V2000 10.8722 1.6516 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 0.3484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.4869 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 2.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 3.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.5824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.4176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -0.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.4176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.8871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 0.0824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 0.5824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -0.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -1.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.4869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7430 -1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 1.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 3.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 0.6347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 0.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 0.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9888 3.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 4.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3574 3.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 2.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7385 2.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 12 2 1 6 0 0 0 21 3 1 6 0 0 0 13 4 1 6 0 0 0 4 30 1 0 0 0 0 17 5 1 1 0 0 0 5 55 1 0 0 0 0 6 23 2 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 35 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 24 1 1 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 29 2 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END $$$$ D01140 -OEChem-05252109532D 65 66 0 1 0 0 0 0 0999 V2000 10.0542 8.0338 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2961 11.1062 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3001 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 9.0644 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 7.6970 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3912 9.4252 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 5.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1501 3.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 5.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1501 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8821 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7481 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 6.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 8.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 8.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 9.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 7.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 8.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8821 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 10.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2021 9.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8879 8.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6734 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0720 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8946 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4961 5.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 4.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5395 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4146 4.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6176 4.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6267 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 3.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2806 3.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8210 6.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4055 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8040 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1467 4.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 4.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 5.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 9.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 4.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8615 9.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 6.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5721 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4190 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1511 3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9242 4.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7402 9.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.3001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 32 1 0 0 0 0 3 65 1 0 0 0 0 4 34 1 0 0 0 0 5 34 1 0 0 0 0 6 34 1 0 0 0 0 7 11 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 22 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 23 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 31 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 28 2 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 27 32 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 33 64 1 0 0 0 0 M END $$$$ D01142 -OEChem-05252109532D 190196 0 1 0 0 0 0 0999 V2000 11.7636 3.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2074 2.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0277 7.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6311 6.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8952 10.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 14.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1908 19.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9742 14.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9132 12.5994 0.0000 O 0 0 0 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1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END $$$$ D01146 -OEChem-05252109532D 57 61 0 1 0 0 0 0 0999 V2000 7.9244 -3.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 3.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3211 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -4.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -4.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 -5.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 4.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 3.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 5.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 4.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -3.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 -4.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -4.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 -5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1366 -4.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 -5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 -5.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 -4.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.1924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3747 2.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 2.9661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3812 5.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4631 4.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 9 4 1 1 0 0 0 4 14 1 0 0 0 0 5 17 2 0 0 0 0 6 14 2 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 21 2 0 0 0 0 8 18 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END $$$$ D01147 -OEChem-05252109532D 136135 0 1 0 0 0 0 0999 V2000 16.6012 13.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 15.2869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1012 13.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1012 12.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 16.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 14.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 17.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1682 17.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 16.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3022 18.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 5.5369 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0010 7.7869 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 15.7352 12.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 14.7869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 8.5369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7331 10.7869 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.4050 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 12.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 12.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 13.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 17.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 17.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 17.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3022 17.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 7.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7911 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 9.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 8.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 5.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 6.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0812 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 8.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 9.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 6.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 5.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6571 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2586 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 10.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 10.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4831 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8816 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 4.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 4.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0812 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 7.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 11.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 4.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 2.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 3.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 3.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4891 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4871 6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2290 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8490 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 9.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 11.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1381 9.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 11.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 7.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 13.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1381 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 13.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 15.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7772 13.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 13.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1572 14.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 15.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 16.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 16.3239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 18.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 16.4539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3011 17.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7051 17.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 1 55 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 2 56 1 0 0 0 0 3 33 1 0 0 0 0 3119 1 0 0 0 0 4 34 1 0 0 0 0 4120 1 0 0 0 0 9 59 1 0 0 0 0 9135 1 0 0 0 0 10 60 1 0 0 0 0 10136 1 0 0 0 0 11 59 2 0 0 0 0 12 60 2 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 53 1 0 0 0 0 15125 1 0 0 0 0 16 54 1 0 0 0 0 16126 1 0 0 0 0 17 21 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 22 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 23 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 24 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 25 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 26 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 27 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 28 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 29 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 30 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 33 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 34 1 0 0 0 0 28 83 1 0 0 0 0 28 84 1 0 0 0 0 29 35 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 36 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 31 39 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 40 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 33 41 1 0 0 0 0 33 93 1 0 0 0 0 34 42 1 0 0 0 0 34 94 1 0 0 0 0 35 37 1 0 0 0 0 35 95 1 0 0 0 0 35 96 1 0 0 0 0 36 38 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 43 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38 44 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39103 1 0 0 0 0 39104 1 0 0 0 0 39105 1 0 0 0 0 40106 1 0 0 0 0 40107 1 0 0 0 0 40108 1 0 0 0 0 41 45 2 0 0 0 0 41 47 1 0 0 0 0 42 46 2 0 0 0 0 42 48 1 0 0 0 0 43109 1 0 0 0 0 43110 1 0 0 0 0 43111 1 0 0 0 0 44112 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 45 49 1 0 0 0 0 45115 1 0 0 0 0 46 50 1 0 0 0 0 46116 1 0 0 0 0 47 51 2 0 0 0 0 47117 1 0 0 0 0 48 52 2 0 0 0 0 48118 1 0 0 0 0 49 53 2 0 0 0 0 49121 1 0 0 0 0 50 54 2 0 0 0 0 50122 1 0 0 0 0 51 53 1 0 0 0 0 51123 1 0 0 0 0 52 54 1 0 0 0 0 52124 1 0 0 0 0 55127 1 0 0 0 0 55128 1 0 0 0 0 55129 1 0 0 0 0 56130 1 0 0 0 0 56131 1 0 0 0 0 56132 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 57133 1 0 0 0 0 58 60 1 0 0 0 0 58134 1 0 0 0 0 M END $$$$ D01148 -OEChem-05252109532D 189194 0 1 0 0 0 0 0999 V2000 16.8874 7.6499 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 4.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6766 4.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1186 5.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 3.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 1.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7372 8.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6878 8.9507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2944 14.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6032 14.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4632 13.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7038 15.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7201 18.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4505 3.0796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8134 5.3473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8106 2.6745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2258 7.3043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 6.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 14.5273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5426 16.6179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5888 9.5720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3064 11.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1877 16.6736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 7.6745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 7.6745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3009 20.2774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.6233 17.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2037 14.4663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8333 21.9256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 21.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3649 13.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6713 12.8181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 1.4766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1175 2.3426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6457 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5427 2.6745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1175 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1175 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1175 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6175 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6567 4.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6766 3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 4.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3515 3.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7639 5.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3020 4.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 3.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5082 4.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0691 6.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 4.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0665 3.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 6.9937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4932 5.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 2.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 4.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0590 3.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2738 4.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5310 7.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 5.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4321 8.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3826 8.5935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7346 16.0287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7683 13.5325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9245 16.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7906 13.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9569 14.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2891 14.1881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7363 15.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2319 17.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2319 17.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1269 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5126 12.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4942 16.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2361 16.9810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8445 10.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0774 8.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 11.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0265 17.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7685 18.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3848 9.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9297 17.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5589 19.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8813 17.0367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3848 9.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6954 8.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0909 16.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0425 15.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2521 14.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0913 21.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4133 13.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1170 0.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4623 3.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0257 1.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 1.0693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5748 3.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5349 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2252 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7001 2.5547 0.0000 H 0 0 0 0 0 0 0 0 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19.4713 16.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7483 9.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2854 8.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4713 16.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0057 15.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6621 15.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1277 16.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2133 17.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4933 18.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6325 14.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1669 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7033 22.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4233 21.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0098 22.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6797 21.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4948 12.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8249 13.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8013 12.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0813 13.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 12.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 11.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 11.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 80 1 0 0 0 0 1 89 1 0 0 0 0 2 44 2 0 0 0 0 3 45 2 0 0 0 0 4 52 2 0 0 0 0 5 57 1 0 0 0 0 5131 1 0 0 0 0 6 57 2 0 0 0 0 7 61 1 0 0 0 0 7132 1 0 0 0 0 8 63 2 0 0 0 0 70 9 1 1 0 0 0 9152 1 0 0 0 0 10 71 2 0 0 0 0 11 75 2 0 0 0 0 12 76 2 0 0 0 0 13 79 2 0 0 0 0 14 85 2 0 0 0 0 15 96 1 0 0 0 0 15189 1 0 0 0 0 16 96 2 0 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 17 44 1 0 0 0 0 18 46 1 0 0 0 0 18 48 1 0 0 0 0 18 52 1 0 0 0 0 19 45 1 0 0 0 0 50 19 1 6 0 0 0 19113 1 0 0 0 0 55 20 1 6 0 0 0 20 63 1 0 0 0 0 20128 1 0 0 0 0 21 62 1 0 0 0 0 21 77 2 0 0 0 0 22 66 1 0 0 0 0 22 69 1 0 0 0 0 22 71 1 0 0 0 0 23 65 1 0 0 0 0 23 73 1 0 0 0 0 23 76 1 0 0 0 0 64 24 1 1 0 0 0 24 79 1 0 0 0 0 24149 1 0 0 0 0 25 75 1 0 0 0 0 25 81 1 0 0 0 0 25151 1 0 0 0 0 78 26 1 6 0 0 0 26 85 1 0 0 0 0 26157 1 0 0 0 0 27 77 1 0 0 0 0 27158 1 0 0 0 0 27159 1 0 0 0 0 28 77 1 0 0 0 0 28160 1 0 0 0 0 28161 1 0 0 0 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0 89169 1 0 0 0 0 90 91 1 0 0 0 0 90170 1 0 0 0 0 90171 1 0 0 0 0 91 92 1 0 0 0 0 91172 1 0 0 0 0 91173 1 0 0 0 0 92176 1 0 0 0 0 92177 1 0 0 0 0 95 96 1 0 0 0 0 95186 1 0 0 0 0 95187 1 0 0 0 0 95188 1 0 0 0 0 M END $$$$ D01149 -OEChem-05252109532D 65 68 0 1 0 0 0 0 0999 V2000 4.4351 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2925 3.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 7.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 5.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8058 2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7143 9.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 7.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7791 4.2844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8711 4.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 4.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 6.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6429 5.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 4.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 5.8364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7596 7.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 3.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 6.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6198 7.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 7.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2923 3.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 8.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3956 7.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4835 9.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 10.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 9.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3833 11.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 10.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3307 5.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2598 4.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 4.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 4.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 3.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 6.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 2.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 3.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2827 4.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 8.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 5.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9103 10.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8702 9.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 11.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 10.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 65 1 0 0 0 0 12 2 1 6 0 0 0 18 2 1 1 0 0 0 3 18 1 0 0 0 0 3 22 1 0 0 0 0 13 4 1 6 0 0 0 4 49 1 0 0 0 0 21 5 1 6 0 0 0 5 58 1 0 0 0 0 6 23 1 0 0 0 0 6 59 1 0 0 0 0 7 25 1 0 0 0 0 7 60 1 0 0 0 0 8 24 2 0 0 0 0 9 30 2 0 0 0 0 10 31 2 0 0 0 0 20 11 1 6 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 28 1 6 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 37 2 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END $$$$ D01151 -OEChem-05252109532D 29 29 0 1 0 0 0 0 0999 V2000 2.0000 0.7321 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7321 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9641 -0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3441 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4892 -2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$ D01157 -OEChem-05252109532D 52 57 0 0 0 0 0 0 0999 V2000 6.3821 0.5173 0.0000 In 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 1.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 2.0588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3382 -2.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 4.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 1.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1302 -3.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 3.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2322 -4.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 -0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8452 2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 4.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6707 -3.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8452 3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4499 3.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.3737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2346 -4.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4499 2.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9045 3.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -3.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 1 0 0 0 0 5 32 2 0 0 0 0 6 9 1 0 0 0 0 6 33 2 0 0 0 0 7 10 1 0 0 0 0 7 34 2 0 0 0 0 8 11 2 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 12 18 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 17 26 2 0 0 0 0 17 35 1 0 0 0 0 18 27 2 0 0 0 0 18 36 1 0 0 0 0 19 28 2 0 0 0 0 19 37 1 0 0 0 0 20 26 1 0 0 0 0 20 38 1 0 0 0 0 21 27 1 0 0 0 0 21 39 1 0 0 0 0 22 28 1 0 0 0 0 22 40 1 0 0 0 0 23 29 2 0 0 0 0 23 41 1 0 0 0 0 24 30 2 0 0 0 0 24 42 1 0 0 0 0 25 31 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 33 1 0 0 0 0 30 48 1 0 0 0 0 31 34 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END $$$$ D01158 -OEChem-05252109532D 101105 0 0 0 0 0 0 0999 V2000 14.6809 -2.3754 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 1.0228 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0381 -4.0702 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.3702 -3.3259 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.6314 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7304 -2.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0765 1.7671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 1.6906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2772 1.9648 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7048 -0.7977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2772 3.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0987 -1.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2234 3.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 -2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6936 2.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2234 2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4671 4.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5845 4.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7691 -2.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0115 -1.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9665 1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -0.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0894 3.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 -3.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0894 1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6296 -2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6344 0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9554 3.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 -3.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6936 2.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1936 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9554 2.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6296 -3.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0734 4.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 -3.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3237 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8654 3.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4796 -4.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1936 1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1936 0.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9714 5.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 -4.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9915 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8735 4.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3776 -5.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1936 1.9035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6936 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6936 1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8307 4.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9649 4.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1036 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1745 4.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7751 5.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9946 4.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3091 -2.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1848 -2.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -1.9287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2647 -1.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 -0.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 -0.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4196 1.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5840 0.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 0.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 0.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0894 1.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 -1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1813 -0.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0169 0.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 -0.5872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 -0.8348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3836 3.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 0.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4924 1.9595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 -3.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5329 5.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 -3.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7768 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9411 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 0.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3988 3.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 -5.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 1.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5036 -0.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9690 5.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 -5.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5385 -1.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3741 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.0491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6434 -0.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4116 5.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3752 -5.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8836 2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0036 0.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 48 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 49 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 34 1 0 0 0 0 17 35 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 30 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 32 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 31 1 0 0 0 0 26 38 2 0 0 0 0 27 33 1 0 0 0 0 27 39 2 0 0 0 0 28 36 2 0 0 0 0 28 71 1 0 0 0 0 29 37 2 0 0 0 0 29 72 1 0 0 0 0 30 40 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 36 1 0 0 0 0 31 42 2 0 0 0 0 32 41 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 37 1 0 0 0 0 33 43 2 0 0 0 0 34 44 2 0 0 0 0 34 77 1 0 0 0 0 35 45 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 38 46 1 0 0 0 0 38 81 1 0 0 0 0 39 47 1 0 0 0 0 39 82 1 0 0 0 0 40 48 1 0 0 0 0 40 83 1 0 0 0 0 40 84 1 0 0 0 0 41 49 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 50 1 0 0 0 0 42 87 1 0 0 0 0 43 51 1 0 0 0 0 43 88 1 0 0 0 0 44 52 1 0 0 0 0 44 89 1 0 0 0 0 45 53 2 0 0 0 0 45 90 1 0 0 0 0 46 50 2 0 0 0 0 46 91 1 0 0 0 0 47 51 2 0 0 0 0 47 92 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 50 97 1 0 0 0 0 51 98 1 0 0 0 0 52 54 2 0 0 0 0 52 99 1 0 0 0 0 53 54 1 0 0 0 0 53100 1 0 0 0 0 54101 1 0 0 0 0 M CHG 4 3 1 4 -1 7 -1 10 1 M END $$$$ D01160 -OEChem-05252109532D 65 68 0 1 0 0 0 0 0999 V2000 7.6967 0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 -1.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 -0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 2.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9033 -2.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 0.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3665 -0.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 1.0369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2326 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 -0.9631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0986 -0.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8306 -0.4631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8219 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 -1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 0.5369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5676 -1.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9646 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9646 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -2.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 -1.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5032 -0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5497 -3.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 1.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0719 1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -1.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -1.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 -0.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7598 -2.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 1.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9572 -1.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2746 -0.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6546 0.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2336 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 2.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1256 -3.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9725 -3.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1995 -2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6967 1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0925 -0.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6958 0.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9138 -0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4670 -2.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9604 -2.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -3.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 51 1 0 0 0 0 2 15 2 0 0 0 0 21 3 1 1 0 0 0 3 27 1 0 0 0 0 20 4 1 1 0 0 0 4 57 1 0 0 0 0 5 25 1 0 0 0 0 5 58 1 0 0 0 0 6 27 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 6 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 6 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 34 1 1 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 6 0 0 0 13 22 1 1 0 0 0 13 37 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 2 0 0 0 0 18 44 1 0 0 0 0 19 24 2 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END $$$$ D01161 -OEChem-05252109532D 776823 0 1 0 0 0 0 0999 V2000 23.7697 18.0752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 27.9607 14.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7697 17.0752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.0650 -19.4396 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5109 -18.8009 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.7697 -14.4012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.0154 8.7846 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2699 19.7705 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.2691 -14.2460 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 29.1994 -12.6449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.4444 6.4403 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.9164 -10.0236 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.4884 5.9073 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7253 -10.0556 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4584 -8.2579 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.6197 3.1594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9392 -3.8841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2478 0.6702 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1550 1.5728 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.7697 17.0752 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.2176 13.7059 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.0650 -18.4396 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2540 -18.1318 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.7697 17.0752 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 29.5129 -15.0703 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.0209 8.8892 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.3189 19.4615 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.2637 -14.3506 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.6116 -11.8359 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.0322 5.6313 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.1732 -10.6928 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2805 4.9292 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.7253 -9.0556 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.2016 -7.5888 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.2074 2.3504 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.9338 -3.9886 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 13.4557 1.6483 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.7428 0.7637 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.8575 17.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9607 18.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3625 -20.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2414 11.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9976 -17.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1528 -18.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5485 14.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7697 17.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0650 -18.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6176 15.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0673 20.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5849 -17.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5298 19.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1254 9.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9499 -20.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0095 8.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8437 -15.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7697 17.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7000 -19.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7697 18.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5366 -12.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.9128 -16.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8867 12.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9232 -18.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7697 17.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0650 -18.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4196 20.5239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4207 -11.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3048 -10.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1820 -14.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1591 -15.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8157 21.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 18.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3678 19.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3640 5.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9163 7.8946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4842 -11.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3682 -13.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7697 16.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4744 13.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2398 18.7002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0650 -17.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9972 -17.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8412 6.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1518 -8.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2560 -15.7395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0239 -11.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7697 16.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0263 8.9937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5995 18.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5017 20.4800 0.0000 O 0 0 0 0 0 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0 0 0 11.3769 4.3174 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 4.3174 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 4.3174 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.8174 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1448 5.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 3.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9128 7.8364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 8.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 7.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 8.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 4.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7196 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 8.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 6.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 9.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 4.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 30 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 6 12 2 0 0 0 0 6 31 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 20 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 20 1 0 0 0 0 14 20 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 7 1 10 -1 M END $$$$ D01169 -OEChem-05252109532D 51 50 0 0 0 0 0 0 0999 V2000 0.0000 2.4860 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6200 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.0016 9.1060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8676 9.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1355 8.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 9.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 8.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 6.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1215 5.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 7.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4045 9.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5986 8.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 4 50 1 0 0 0 0 5 51 1 0 0 0 0 8 16 1 0 0 0 0 8 28 2 0 0 0 0 9 17 1 0 0 0 0 9 29 2 0 0 0 0 10 28 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 28 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 29 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 29 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M ISO 2 1 123 2 123 M END $$$$ D01170 -OEChem-05252109532D 106107 0 1 0 0 0 0 0999 V2000 7.7331 -1.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8450 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.8450 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 5.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -6.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6613 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -0.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -0.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -4.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -5.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -5.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -4.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 6.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -6.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -6.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 7.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 6.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -6.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -6.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -7.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 0 0 0 0 7 28 1 0 0 0 0 7 68 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 47 2 0 0 0 0 11 48 2 0 0 0 0 12 49 2 0 0 0 0 13 50 2 0 0 0 0 14 55 1 0 0 0 0 14 99 1 0 0 0 0 15 56 1 0 0 0 0 15100 1 0 0 0 0 16 57 1 0 0 0 0 16101 1 0 0 0 0 17 58 1 0 0 0 0 17102 1 0 0 0 0 18 59 1 0 0 0 0 18103 1 0 0 0 0 19 60 1 0 0 0 0 19104 1 0 0 0 0 20 61 1 0 0 0 0 20105 1 0 0 0 0 21 62 1 0 0 0 0 21106 1 0 0 0 0 22 29 1 0 0 0 0 22 31 1 0 0 0 0 22 33 1 0 0 0 0 23 30 1 0 0 0 0 23 32 1 0 0 0 0 23 34 1 0 0 0 0 24 47 1 0 0 0 0 24 51 1 0 0 0 0 24 75 1 0 0 0 0 25 48 1 0 0 0 0 25 52 1 0 0 0 0 25 76 1 0 0 0 0 26 49 1 0 0 0 0 26 53 1 0 0 0 0 26 77 1 0 0 0 0 27 50 1 0 0 0 0 27 54 1 0 0 0 0 27 78 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 35 2 0 0 0 0 31 37 1 0 0 0 0 32 36 2 0 0 0 0 32 38 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 38 42 2 0 0 0 0 39 43 2 0 0 0 0 39 49 1 0 0 0 0 40 44 2 0 0 0 0 40 50 1 0 0 0 0 41 43 1 0 0 0 0 41 47 1 0 0 0 0 42 44 1 0 0 0 0 42 48 1 0 0 0 0 45 69 1 0 0 0 0 45 70 1 0 0 0 0 45 71 1 0 0 0 0 46 72 1 0 0 0 0 46 73 1 0 0 0 0 46 74 1 0 0 0 0 51 55 1 0 0 0 0 51 79 1 0 0 0 0 51 80 1 0 0 0 0 52 56 1 0 0 0 0 52 81 1 0 0 0 0 52 82 1 0 0 0 0 53 57 1 0 0 0 0 53 83 1 0 0 0 0 53 84 1 0 0 0 0 54 58 1 0 0 0 0 54 85 1 0 0 0 0 54 86 1 0 0 0 0 55 59 1 0 0 0 0 55 87 1 0 0 0 0 56 60 1 0 0 0 0 56 88 1 0 0 0 0 57 61 1 0 0 0 0 57 89 1 0 0 0 0 58 62 1 0 0 0 0 58 90 1 0 0 0 0 59 91 1 0 0 0 0 59 92 1 0 0 0 0 60 93 1 0 0 0 0 60 94 1 0 0 0 0 61 95 1 0 0 0 0 61 96 1 0 0 0 0 62 97 1 0 0 0 0 62 98 1 0 0 0 0 M END $$$$ D01171 -OEChem-05252109532D 46 48 0 1 0 0 0 0 0999 V2000 2.0000 -2.7139 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 4.3733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5057 -3.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 -3.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 0.9092 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8088 -1.0394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0676 -0.0734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5878 -1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7588 -1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2078 -1.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0344 -0.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4666 -0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 2.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 3.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -3.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 -1.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 -2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5406 -4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5888 -1.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2876 0.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -2.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 -1.9612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0128 -2.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8017 -1.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 0.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 -0.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0606 -0.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6615 0.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 2.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 2.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 3.0398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -3.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 -0.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 3.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3561 3.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6384 -0.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 -4.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -4.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1602 -4.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 1 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 6 0 0 0 8 9 1 0 0 0 0 8 15 1 1 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M ISO 1 1 123 M END $$$$ D01172 -OEChem-05252109532D 60 60 0 1 0 0 0 0 0999 V2000 7.7331 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 23 1 0 0 0 0 4 18 1 0 0 0 0 4 51 1 0 0 0 0 5 24 1 0 0 0 0 5 56 1 0 0 0 0 6 25 2 0 0 0 0 7 30 1 0 0 0 0 7 57 1 0 0 0 0 8 31 1 0 0 0 0 8 58 1 0 0 0 0 9 26 2 0 0 0 0 10 27 2 0 0 0 0 11 33 1 0 0 0 0 11 59 1 0 0 0 0 12 34 1 0 0 0 0 12 60 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 46 1 0 0 0 0 15 27 1 0 0 0 0 15 29 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 32 1 0 0 0 0 28 30 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 29 31 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 30 33 1 0 0 0 0 30 44 1 0 0 0 0 31 34 1 0 0 0 0 31 45 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 M END $$$$ D01173 -OEChem-05252109532D 53 53 0 1 0 0 0 0 0999 V2000 5.1350 0.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 25 1 0 0 0 0 4 46 1 0 0 0 0 5 26 1 0 0 0 0 5 47 1 0 0 0 0 6 27 1 0 0 0 0 6 48 1 0 0 0 0 7 28 1 0 0 0 0 7 49 1 0 0 0 0 8 23 2 0 0 0 0 9 24 2 0 0 0 0 30 10 1 6 0 0 0 10 53 1 0 0 0 0 11 29 2 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 13 35 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 14 44 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 32 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 45 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$ D01174 -OEChem-05252109532D 56 56 0 1 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5950 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4050 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 5.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 4.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 2.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -4.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -3.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -4.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -3.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 26 1 0 0 0 0 4 16 1 0 0 0 0 4 48 1 0 0 0 0 5 18 2 0 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 7 27 1 0 0 0 0 7 50 1 0 0 0 0 8 28 2 0 0 0 0 9 29 1 0 0 0 0 9 53 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 30 2 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 25 1 0 0 0 0 13 24 1 0 0 0 0 13 28 1 0 0 0 0 13 44 1 0 0 0 0 14 22 1 0 0 0 0 14 30 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 23 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 22 26 2 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 27 29 1 0 0 0 0 27 40 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 M END $$$$ D01175 -OEChem-05252109532D 59 58 0 1 0 0 0 0 0999 V2000 2.5375 4.0369 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 1.0369 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 4.0369 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 2.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 1.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 2.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 5.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.9669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 5.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 10.9669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 10.9669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 10.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 10.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4035 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4035 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 10.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 11.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 10.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 11.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 11.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 12.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 12.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 11.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 10.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 5.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7555 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 7.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5385 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 16 4 1 6 0 0 0 4 42 1 0 0 0 0 17 5 1 6 0 0 0 5 43 1 0 0 0 0 18 6 1 6 0 0 0 6 45 1 0 0 0 0 19 7 1 1 0 0 0 7 46 1 0 0 0 0 8 21 1 0 0 0 0 8 50 1 0 0 0 0 9 29 2 0 0 0 0 10 30 1 0 0 0 0 10 59 1 0 0 0 0 11 30 2 0 0 0 0 12 31 2 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 13 44 1 0 0 0 0 14 24 1 0 0 0 0 14 31 1 0 0 0 0 14 51 1 0 0 0 0 15 29 1 0 0 0 0 15 32 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$ D01176 -OEChem-05252109532D 57 57 0 1 0 0 0 0 0999 V2000 7.7331 1.3450 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6550 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -3.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -3.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -3.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 4.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 3.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 22 1 0 0 0 0 4 27 1 0 0 0 0 4 52 1 0 0 0 0 5 28 1 0 0 0 0 5 53 1 0 0 0 0 6 30 1 0 0 0 0 6 54 1 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 29 2 0 0 0 0 10 31 1 0 0 0 0 10 55 1 0 0 0 0 11 32 1 0 0 0 0 11 56 1 0 0 0 0 12 33 1 0 0 0 0 12 57 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 29 1 0 0 0 0 14 23 1 0 0 0 0 14 25 1 0 0 0 0 14 42 1 0 0 0 0 15 24 1 0 0 0 0 15 26 1 0 0 0 0 15 43 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 21 30 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 23 27 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 28 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 27 31 1 0 0 0 0 27 40 1 0 0 0 0 28 32 1 0 0 0 0 28 41 1 0 0 0 0 29 33 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M END $$$$ D01178 -OEChem-05252109532D 55 56 0 1 0 0 0 0 0999 V2000 10.8251 4.5002 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.2940 4.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 3.2642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 3.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 7.4889 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2838 5.5403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5426 6.5062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6827 5.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9415 5.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 4.6747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 6.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 8.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 5.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 7.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8241 8.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 3.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1807 3.5650 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4146 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 4.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 7.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4878 4.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2767 4.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5355 5.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 6.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 4.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4794 4.2155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 6.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 6.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 9.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 5.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1446 8.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 8.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 7.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0762 8.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 9.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 9.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 9.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5999 9.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7371 8.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2884 4.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8896 4.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 4.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 2.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 2.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 0.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 19 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 26 1 1 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 6 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$ D01179 -OEChem-05252109532D 83 88 0 1 0 0 0 0 0999 V2000 9.3614 7.8084 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 6.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 16.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 6.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0268 14.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 14.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 16.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9184 2.4200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 5.1549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 13.0026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 10.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 3.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 4.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3245 3.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 1.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1565 5.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 4.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 0.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 6.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 12.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 11.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 12.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 14.5095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0417 11.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 14.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6165 10.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 13.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 14.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2179 9.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 13.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2348 15.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 9.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 15.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 10.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 7.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 8.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 8.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 7.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0069 12.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 9.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 2.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 4.4925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 3.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 2.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9253 3.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 2.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 2.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 1.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 2.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 5.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 5.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 3.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1683 4.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 0.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.0783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 0.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 0.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 12.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 12.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 12.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9872 13.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9964 14.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 16.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6257 15.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 11.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 10.5541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 8.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5102 8.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 7.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 13.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 12.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5402 12.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3306 13.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 9.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 8.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 9.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3614 7.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 83 1 0 0 0 0 2 22 1 0 0 0 0 2 39 1 0 0 0 0 3 35 1 0 0 0 0 3 37 1 0 0 0 0 4 22 2 0 0 0 0 27 5 1 1 0 0 0 5 79 1 0 0 0 0 6 32 2 0 0 0 0 7 37 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 10 32 1 0 0 0 0 11 28 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 20 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 23 28 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 30 2 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 26 31 1 0 0 0 0 27 34 1 0 0 0 0 27 37 1 0 0 0 0 29 32 1 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 38 1 0 0 0 0 31 66 1 0 0 0 0 33 36 2 0 0 0 0 33 40 1 0 0 0 0 34 43 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 41 1 0 0 0 0 38 44 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 73 1 0 0 0 0 41 42 2 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 M END $$$$ D01181 -OEChem-05252109532D 92 95 0 1 0 0 0 0 0999 V2000 3.5116 8.9813 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.8880 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 4.5220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 7.8880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 8.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 6.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 5.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6033 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2373 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 7.3880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1808 7.0516 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7026 10.3825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 6.3935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 9.0877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3845 10.1058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 15.1582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9222 5.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.8880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7320 8.8880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7320 7.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 9.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5116 7.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6808 6.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 7.1561 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5981 5.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6808 10.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 9.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 11.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 6.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 11.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4997 12.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5765 8.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 12.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 13.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 13.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 9.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 9.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5656 8.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 14.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1588 7.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5601 8.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3791 10.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 9.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3399 5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9277 4.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5100 4.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 8.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 8.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 7.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 9.9249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 9.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 8.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 8.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 8.4012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 7.2209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 5.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 5.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 9.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2615 5.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1275 5.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2646 6.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4464 11.1069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 12.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1053 12.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 13.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8971 10.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 10.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 9.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6448 7.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7282 7.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9245 7.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6312 10.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5834 9.4661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3704 4.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0986 4.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1744 5.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0084 3.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8744 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0116 4.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 36 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 2 13 2 0 0 0 0 3 28 1 0 0 0 0 4 33 1 0 0 0 0 22 5 1 1 0 0 0 5 63 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 42 2 0 0 0 0 8 50 1 0 0 0 0 8 54 1 0 0 0 0 9 54 2 0 0 0 0 10 92 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 30 1 0 0 0 0 15 30 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 27 2 0 0 0 0 16 35 1 0 0 0 0 17 31 2 0 0 0 0 18 42 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 46 1 0 0 0 0 19 52 2 0 0 0 0 20 49 3 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 88 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 1 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 28 34 1 0 0 0 0 29 33 2 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 67 1 0 0 0 0 32 39 1 0 0 0 0 32 66 1 0 0 0 0 33 37 1 0 0 0 0 34 37 2 0 0 0 0 34 68 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 40 43 1 0 0 0 0 40 74 1 0 0 0 0 41 44 2 0 0 0 0 41 75 1 0 0 0 0 43 45 2 0 0 0 0 43 76 1 0 0 0 0 44 45 1 0 0 0 0 44 77 1 0 0 0 0 45 49 1 0 0 0 0 46 48 2 0 0 0 0 47 78 1 0 0 0 0 47 79 1 0 0 0 0 47 80 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 50 81 1 0 0 0 0 50 82 1 0 0 0 0 51 53 2 0 0 0 0 51 83 1 0 0 0 0 52 53 1 0 0 0 0 52 84 1 0 0 0 0 53 85 1 0 0 0 0 54 55 1 0 0 0 0 55 86 1 0 0 0 0 55 87 1 0 0 0 0 56 89 1 0 0 0 0 56 90 1 0 0 0 0 56 91 1 0 0 0 0 M CHG 2 11 -1 15 1 M END $$$$ D01182 -OEChem-05252109532D 32 32 0 1 0 0 0 0 0999 V2000 3.4030 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 2.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 29 1 0 0 0 0 2 13 1 0 0 0 0 2 31 1 0 0 0 0 3 15 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$ D01184 -OEChem-05252109532D 69 70 0 0 0 0 0 0 0999 V2000 4.3479 -1.7783 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -3.4519 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -3.1050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.1742 -2.7630 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3631 -1.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5216 -0.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 -3.9519 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4308 -4.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4308 -2.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 1.5481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 2.6122 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1988 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 1.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 0.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 2.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 2.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 3.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3327 -2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -3.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 3.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3949 1.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 4.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5278 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 -1.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 -0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 1.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6017 -1.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9308 2.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3338 -0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 0.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 2.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4508 3.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0523 2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1303 0.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9274 0.5731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 3.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 4.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 2.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 1.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 -3.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -4.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8389 2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 3.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 3.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7049 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9318 1.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0849 2.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 4.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 4.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 3.9194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 3.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 3.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 32 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 18 2 0 0 0 0 13 23 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 39 1 0 0 0 0 20 25 2 0 0 0 0 20 40 1 0 0 0 0 21 26 2 0 0 0 0 21 41 1 0 0 0 0 22 27 2 0 0 0 0 22 42 1 0 0 0 0 23 32 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 35 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 36 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 37 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 38 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 M CHG 4 3 1 4 -1 7 -1 11 1 M END $$$$ D01185 -OEChem-05252109532D 52 54 0 0 0 0 0 0 0999 V2000 4.5981 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.5368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.1603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3103 2.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9136 3.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1317 2.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6839 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6839 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4570 -2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6839 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 0.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3039 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4570 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 26 2 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$ D01187 -OEChem-05252109532D 63 67 0 1 0 0 0 0 0999 V2000 10.4157 -0.0588 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5519 3.7514 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1686 4.0454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -4.0454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 1.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 0.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 0.8453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 -0.7509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -3.0162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4192 1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2579 2.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8746 2.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7133 3.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.3908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0524 -0.4419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2603 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8934 -1.7290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 -0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 -2.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6365 -2.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9423 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3307 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2818 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 -3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4776 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9302 1.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5956 1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7779 2.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 3.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 2.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8178 0.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 -1.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 -1.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -1.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 -1.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -1.9584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9979 -2.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 -2.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -1.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0794 -1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 -3.3647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 -2.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3486 -4.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 37 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 24 2 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 47 1 0 0 0 0 19 9 1 6 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 11 27 2 0 0 0 0 11 38 1 0 0 0 0 12 32 2 0 0 0 0 12 40 1 0 0 0 0 13 41 3 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 6 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 26 32 1 0 0 0 0 27 31 1 0 0 0 0 28 33 2 0 0 0 0 29 34 1 0 0 0 0 29 54 1 0 0 0 0 30 37 1 0 0 0 0 30 55 1 0 0 0 0 31 36 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 35 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 36 39 1 0 0 0 0 36 41 1 0 0 0 0 37 40 2 0 0 0 0 38 39 2 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 40 63 1 0 0 0 0 M END $$$$ D01188 -OEChem-05252109532D 77 79 0 1 0 0 0 0 0999 V2000 10.1990 -3.3344 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0034 2.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 3.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7994 1.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9154 -1.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3637 -0.1502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6224 -2.9703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 2.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0032 1.6994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2711 1.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 2.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3637 -0.1502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4051 3.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 3.6994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6730 3.1994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6730 2.1994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7544 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 4.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 0.2676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6907 -0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 -0.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 1.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1525 -1.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -0.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7469 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1375 -2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1119 -2.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 -3.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0534 -4.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8532 1.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8726 1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 1.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 0.1938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 0.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5811 3.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 3.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 2.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 1.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -0.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0157 3.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 3.7820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 4.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1885 2.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 0.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 4.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 5.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 4.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 0.8547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 -0.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6907 -1.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3596 1.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1697 1.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 2.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 -1.4961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7793 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6476 -2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 1.1464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6047 0.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 -0.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 -0.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4147 -0.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 -0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 4.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5798 -1.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -4.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9139 -5.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 -4.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 18 3 1 1 0 0 0 3 72 1 0 0 0 0 24 4 1 1 0 0 0 4 73 1 0 0 0 0 5 23 2 0 0 0 0 6 26 2 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 7 52 1 0 0 0 0 8 32 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 10 12 1 0 0 0 0 10 36 1 6 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 20 1 1 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 1 0 0 0 19 51 1 0 0 0 0 20 28 1 0 0 0 0 20 31 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 32 33 2 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 M END $$$$ D01191 -OEChem-05252109532D 34 34 0 1 0 0 0 0 0999 V2000 3.9994 1.7909 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 7.3559 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 3.3410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9860 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 3.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 2.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 4.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 3.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 4.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5185 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7277 3.9516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 4.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 3.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 5.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 4.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 7.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 34 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 M END $$$$ D01193 -OEChem-05252109532D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 0.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3181 2.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 1.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6761 0.9134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0580 0.9134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3671 1.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.1744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -2.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.6744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.1744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.1744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1070 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4195 0.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 0.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6196 1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 0.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3981 0.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9776 2.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5791 3.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 -0.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 2.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 1.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 3.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 16 1 1 1 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 1 0 0 0 4 38 1 0 0 0 0 15 5 1 1 0 0 0 5 39 1 0 0 0 0 17 6 1 6 0 0 0 6 40 1 0 0 0 0 18 7 1 1 0 0 0 7 41 1 0 0 0 0 19 8 1 1 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 21 1 1 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 1 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ D01195 -OEChem-05252109532D 146151 0 1 0 0 0 0 0999 V2000 7.7331 -0.1216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -1.2414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 -7.4727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -2.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0752 -4.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4324 -4.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2178 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9292 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 -6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0021 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.3784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6613 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8392 6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0472 7.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9452 7.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3157 -3.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4737 -4.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6121 -3.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 -2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0338 -4.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 -5.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7775 -1.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2652 -1.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1729 -6.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -5.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -3.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3736 -2.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -6.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 -6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -1.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 -1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 0.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8545 0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3297 1.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0751 -7.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 -7.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 2.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 3.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3726 6.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5067 7.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -2.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 7.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9428 8.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 2 53 1 0 0 0 0 3 31 2 0 0 0 0 4 32 2 0 0 0 0 5 35 2 0 0 0 0 6 40 2 0 0 0 0 7 49 2 0 0 0 0 8 50 2 0 0 0 0 9 58 1 0 0 0 0 9138 1 0 0 0 0 10 61 2 0 0 0 0 11 63 2 0 0 0 0 12 68 1 0 0 0 0 12144 1 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 88 1 0 0 0 0 14 25 1 0 0 0 0 14 31 1 0 0 0 0 14 89 1 0 0 0 0 15 28 1 0 0 0 0 15 40 1 0 0 0 0 15 92 1 0 0 0 0 16 35 1 0 0 0 0 16 41 1 0 0 0 0 16101 1 0 0 0 0 17 36 1 0 0 0 0 17 49 1 0 0 0 0 17107 1 0 0 0 0 18 43 1 0 0 0 0 18 45 1 0 0 0 0 18108 1 0 0 0 0 19 50 1 0 0 0 0 19 54 1 0 0 0 0 19117 1 0 0 0 0 20 46 1 0 0 0 0 20 61 1 0 0 0 0 20119 1 0 0 0 0 21 44 1 0 0 0 0 21120 1 0 0 0 0 21121 1 0 0 0 0 22 57 1 0 0 0 0 22134 1 0 0 0 0 22135 1 0 0 0 0 23 63 1 0 0 0 0 23140 1 0 0 0 0 23141 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 78 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 25 79 1 0 0 0 0 26 29 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 82 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 83 1 0 0 0 0 29 34 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 33 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 33 39 1 0 0 0 0 33 43 2 0 0 0 0 34 44 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 0 0 0 0 36 93 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39 45 1 0 0 0 0 39 48 2 0 0 0 0 41 47 1 0 0 0 0 41 50 1 0 0 0 0 41100 1 0 0 0 0 42 51 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45 52 2 0 0 0 0 46 49 1 0 0 0 0 46 53 1 0 0 0 0 46109 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 48 55 1 0 0 0 0 48112 1 0 0 0 0 51 59 2 0 0 0 0 51 60 1 0 0 0 0 52 56 1 0 0 0 0 52113 1 0 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 54 58 1 0 0 0 0 54 63 1 0 0 0 0 54116 1 0 0 0 0 55 56 2 0 0 0 0 55118 1 0 0 0 0 56122 1 0 0 0 0 57 61 1 0 0 0 0 57 62 1 0 0 0 0 57123 1 0 0 0 0 58 67 1 0 0 0 0 58124 1 0 0 0 0 59 65 1 0 0 0 0 59125 1 0 0 0 0 60 66 2 0 0 0 0 60126 1 0 0 0 0 62 64 1 0 0 0 0 62127 1 0 0 0 0 62128 1 0 0 0 0 64 69 2 0 0 0 0 64 70 1 0 0 0 0 65 68 2 0 0 0 0 65129 1 0 0 0 0 66 68 1 0 0 0 0 66130 1 0 0 0 0 67131 1 0 0 0 0 67132 1 0 0 0 0 67133 1 0 0 0 0 69 71 1 0 0 0 0 69136 1 0 0 0 0 70 73 2 0 0 0 0 70137 1 0 0 0 0 71 72 1 0 0 0 0 71 74 2 0 0 0 0 72 73 1 0 0 0 0 72 75 2 0 0 0 0 73139 1 0 0 0 0 74 76 1 0 0 0 0 74142 1 0 0 0 0 75 77 1 0 0 0 0 75143 1 0 0 0 0 76 77 2 0 0 0 0 76145 1 0 0 0 0 77146 1 0 0 0 0 M END $$$$ D01197 -OEChem-05252109532D 53 57 0 1 0 0 0 0 0999 V2000 2.0000 -1.3854 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 -4.0619 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7231 3.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 -0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -0.3606 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9598 1.5514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -0.3606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 -1.8606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 0.3947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -2.1653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.7673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2330 -0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 0.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9131 2.8588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9626 3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 1.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3734 2.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -2.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -1.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 -0.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -2.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -3.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -3.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 -3.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9436 -1.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -0.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 -0.4849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1666 1.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3311 0.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 1.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8172 3.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2157 3.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 3.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0392 1.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 1.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9134 2.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9119 1.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -2.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5477 -2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2566 0.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6594 4.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -3.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -4.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5636 -1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 28 1 0 0 0 0 17 3 1 6 0 0 0 3 50 1 0 0 0 0 4 24 2 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 16 2 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 31 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 29 1 0 0 0 0 22 28 2 0 0 0 0 22 46 1 0 0 0 0 23 27 2 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 26 31 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M END $$$$ D01198 -OEChem-05252109532D 45 47 0 0 0 0 0 0 0999 V2000 5.4641 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 3 27 1 0 0 0 0 4 14 2 0 0 0 0 5 21 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 16 2 0 0 0 0 7 18 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$ D01199 -OEChem-05252109542D 71 72 0 1 0 0 0 0 0999 V2000 10.3290 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6969 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -0.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 5.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2075 0.5653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3120 1.5598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1211 0.1586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2902 1.7677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7902 0.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 0.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5689 2.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 -0.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -1.4347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7768 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -2.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 3.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -2.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -3.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 4.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 3.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 -4.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -4.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 -5.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -5.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 4.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -5.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 5.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4725 2.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7199 -0.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9093 1.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2050 0.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2918 1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1294 0.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7309 -0.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 2.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 1.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5535 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9521 -0.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9186 -1.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3135 2.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 3.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0860 -2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1626 4.4827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3974 -2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9988 -3.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -0.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 3.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 3.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 4.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 4.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8998 3.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6795 3.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 -4.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0124 -4.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 -5.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0124 -5.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 -6.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 5.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 5.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 4.4559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 4.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 5.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 6.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 6.0636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 44 1 0 0 0 0 9 2 1 1 0 0 0 2 45 1 0 0 0 0 14 3 1 6 0 0 0 3 53 1 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 6 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 1 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 27 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 23 60 1 0 0 0 0 24 26 2 0 0 0 0 24 61 1 0 0 0 0 25 28 2 0 0 0 0 25 62 1 0 0 0 0 26 28 1 0 0 0 0 26 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END $$$$ D01200 -OEChem-05252109542D 77 78 0 1 0 0 0 0 0999 V2000 14.4605 -0.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8285 2.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -0.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8258 4.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 5.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 5.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.9858 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 4.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 5.3167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.3391 0.5142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4436 1.5087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2526 0.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4217 1.7166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9217 0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7004 2.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 -0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -1.4858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9084 3.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -2.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1652 3.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -2.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2142 3.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4710 4.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5200 3.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -4.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -4.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8750 -5.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -5.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 4.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -5.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 4.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 4.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 5.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 4.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3715 -0.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6041 2.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7708 -0.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 1.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3366 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4233 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2610 0.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 -0.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1256 2.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3719 1.6521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 -1.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0836 -0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0502 -1.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4451 2.6950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6070 -0.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4980 3.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8191 -3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2176 -2.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2941 4.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5289 -2.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1304 -3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -0.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7256 3.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5052 2.9687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9596 4.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 4.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0314 3.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8110 3.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -4.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1439 -4.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -5.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1439 -5.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7410 -6.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5712 5.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7915 5.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 4.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 4.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 5.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 5.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9488 4.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7284 4.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 49 1 0 0 0 0 13 2 1 1 0 0 0 2 50 1 0 0 0 0 18 3 1 6 0 0 0 3 58 1 0 0 0 0 4 31 1 0 0 0 0 4 33 1 0 0 0 0 5 31 2 0 0 0 0 6 9 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 19 21 2 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 31 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 29 1 0 0 0 0 27 65 1 0 0 0 0 28 30 2 0 0 0 0 28 66 1 0 0 0 0 29 32 2 0 0 0 0 29 67 1 0 0 0 0 30 32 1 0 0 0 0 30 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 35 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 36 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 M CHG 2 7 -1 9 1 M END $$$$ D01201 -OEChem-05252109542D 80 83 0 1 0 0 0 0 0999 V2000 4.6854 1.4293 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -1.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5811 -3.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -4.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -0.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 3.1801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 4.8548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -4.3226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1755 -3.8226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1755 -2.8226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0123 -4.2182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0415 -2.3226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9075 -3.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8323 -5.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7513 -2.0341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9075 -2.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 -4.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 -3.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8436 -5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 -2.4836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7174 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2248 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -5.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -1.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4862 -2.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1036 -1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 -0.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 2.2857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6525 3.1611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1692 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 4.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6528 3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 3.9984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4394 -3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6302 -4.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5784 -2.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1196 -4.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -5.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 -5.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1319 -2.0068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 -2.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1196 -2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0867 -3.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -5.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9723 -6.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -1.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 -1.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4171 -1.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 -2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0325 -3.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 -5.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7954 -5.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 -4.7939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 -1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -0.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 -1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5672 -2.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1009 -2.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4053 -1.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7183 -1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 -4.3206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0983 -0.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -0.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 0.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 0.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 2.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9522 3.7038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 1.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7146 4.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 4.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 3.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 2.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 4.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 3.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 5.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 30 1 1 6 0 0 0 15 2 1 6 0 0 0 2 27 1 0 0 0 0 18 3 1 1 0 0 0 3 64 1 0 0 0 0 4 17 2 0 0 0 0 5 27 2 0 0 0 0 31 6 1 1 0 0 0 6 78 1 0 0 0 0 35 7 1 1 0 0 0 7 79 1 0 0 0 0 7 80 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 1 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 36 1 6 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 22 1 1 0 0 0 11 18 1 0 0 0 0 11 23 1 6 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 6 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 21 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 6 0 0 0 20 26 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 28 2 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 69 1 0 0 0 0 31 33 1 0 0 0 0 31 70 1 0 0 0 0 32 34 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 35 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 77 1 0 0 0 0 M END $$$$ D01202 -OEChem-05252109542D 50 53 0 1 0 0 0 0 0999 V2000 4.5981 -3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3301 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8301 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 -0.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 1.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 1.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 29 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 14 2 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 5 38 1 0 0 0 0 6 21 2 0 0 0 0 6 28 1 0 0 0 0 7 22 2 0 0 0 0 7 27 1 0 0 0 0 8 23 1 0 0 0 0 8 27 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 1 0 0 0 0 26 46 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$ D01203 -OEChem-05252109542D 58 60 0 0 0 0 0 0 0999 V2000 6.0437 7.6744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9879 10.7226 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6705 5.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 4.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 11.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 11.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 9.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5192 6.7146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7872 6.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 1.5853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3909 6.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9009 5.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3908 6.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6590 6.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 6.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0553 6.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 5.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 5.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 6.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 4.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 3.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2641 2.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 10.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5444 6.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4306 4.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3804 4.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9759 6.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4914 6.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5120 7.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7800 7.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4791 4.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 6.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0856 4.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 3.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 1.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 10.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 9.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 9.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3909 10.9126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 35 1 0 0 0 0 3 17 2 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 30 1 0 0 0 0 5 34 1 0 0 0 0 6 33 2 0 0 0 0 7 58 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 41 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 42 1 0 0 0 0 12 26 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 31 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 33 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 M END $$$$ D01205 -OEChem-05252109542D 179183 0 1 0 0 0 0 0999 V2000 18.0623 6.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3833 5.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4752 5.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 9.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8952 12.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9132 14.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 16.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1907 20.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9741 15.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6670 12.6526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9812 11.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4735 14.5086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8182 4.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0822 6.5601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4944 4.6177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 8.4157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6060 11.0384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9672 2.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2703 12.5270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 19.2530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5954 17.7371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 15.2980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9561 13.8094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7231 0.4879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3601 1.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 11.5812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5040 18.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 19.7676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7881 4.3199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8561 3.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 2.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2869 3.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4452 5.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4552 5.6322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5553 4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8382 4.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2112 3.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7192 7.6288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0922 6.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 7.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1122 6.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2615 5.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5942 3.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2739 10.2941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9632 9.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1228 10.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1221 7.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 6.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2006 4.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0050 10.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8539 10.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0381 9.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9167 11.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2488 12.7332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5595 13.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3501 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9491 18.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9544 18.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3098 14.3474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2633 16.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5492 19.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6240 13.0651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3313 14.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6025 13.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5380 13.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6169 17.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 19.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 17.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9526 16.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9776 13.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 13.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3133 12.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 12.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8487 14.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2059 13.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5524 18.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 12.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 11.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 13.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8272 15.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1844 13.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 11.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9661 18.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4950 14.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 12.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3424 11.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5058 19.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6497 4.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0260 2.7260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4669 3.4288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4137 2.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2184 2.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7990 4.0989 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9308 11.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4346 15.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0132 12.5563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2242 12.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2132 10.9919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 14.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0198 15.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5984 12.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 10.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0050 18.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 18.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 13.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7886 10.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 11.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0080 19.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8876 14.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 11.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.5461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 2 0 0 0 0 2 37 2 0 0 0 0 3 41 2 0 0 0 0 4 47 2 0 0 0 0 5 55 2 0 0 0 0 6 66 2 0 0 0 0 7 68 2 0 0 0 0 8 69 2 0 0 0 0 9 71 2 0 0 0 0 10 72 2 0 0 0 0 11 74 1 0 0 0 0 11172 1 0 0 0 0 12 86 1 0 0 0 0 12175 1 0 0 0 0 13 91 1 0 0 0 0 13179 1 0 0 0 0 14 91 2 0 0 0 0 15 31 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 36 16 1 6 0 0 0 16 41 1 0 0 0 0 16102 1 0 0 0 0 17 37 1 0 0 0 0 17 44 1 0 0 0 0 17105 1 0 0 0 0 40 18 1 6 0 0 0 18 47 1 0 0 0 0 18114 1 0 0 0 0 46 19 1 6 0 0 0 19 55 1 0 0 0 0 19128 1 0 0 0 0 20 45 1 0 0 0 0 20 58 2 0 0 0 0 56 21 1 1 0 0 0 21 66 1 0 0 0 0 21139 1 0 0 0 0 22 59 1 0 0 0 0 22 69 1 0 0 0 0 22149 1 0 0 0 0 62 23 1 1 0 0 0 23 68 1 0 0 0 0 23150 1 0 0 0 0 61 24 1 6 0 0 0 24 71 1 0 0 0 0 24151 1 0 0 0 0 64 25 1 6 0 0 0 25 72 1 0 0 0 0 25154 1 0 0 0 0 26 58 1 0 0 0 0 26155 1 0 0 0 0 26156 1 0 0 0 0 27 58 1 0 0 0 0 27157 1 0 0 0 0 27158 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 28164 1 0 0 0 0 29 78 1 0 0 0 0 29 89 1 0 0 0 0 29169 1 0 0 0 0 30 85 1 0 0 0 0 30 89 2 0 0 0 0 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0 0 0 0 57137 1 0 0 0 0 59 60 1 0 0 0 0 59 68 1 6 0 0 0 59138 1 0 0 0 0 60 63 1 0 0 0 0 60140 1 0 0 0 0 60141 1 0 0 0 0 61 65 1 0 0 0 0 61 72 1 0 0 0 0 61142 1 0 0 0 0 62 70 1 0 0 0 0 62 71 1 0 0 0 0 62143 1 0 0 0 0 63 69 1 0 0 0 0 63144 1 0 0 0 0 63145 1 0 0 0 0 64 66 1 0 0 0 0 64 74 1 0 0 0 0 64146 1 0 0 0 0 65 73 1 0 0 0 0 65147 1 0 0 0 0 65148 1 0 0 0 0 67 76 2 0 0 0 0 67 77 1 0 0 0 0 70 78 1 0 0 0 0 70152 1 0 0 0 0 70153 1 0 0 0 0 73 75 1 0 0 0 0 73 79 2 0 0 0 0 74159 1 0 0 0 0 74160 1 0 0 0 0 75 80 1 0 0 0 0 75 81 2 0 0 0 0 76 82 1 0 0 0 0 76161 1 0 0 0 0 77 83 2 0 0 0 0 77162 1 0 0 0 0 78 85 2 0 0 0 0 79163 1 0 0 0 0 80 84 2 0 0 0 0 81 87 1 0 0 0 0 81165 1 0 0 0 0 82 86 2 0 0 0 0 82166 1 0 0 0 0 83 86 1 0 0 0 0 83167 1 0 0 0 0 84 88 1 0 0 0 0 84168 1 0 0 0 0 85170 1 0 0 0 0 87 88 2 0 0 0 0 87171 1 0 0 0 0 88173 1 0 0 0 0 89174 1 0 0 0 0 90 91 1 0 0 0 0 90176 1 0 0 0 0 90177 1 0 0 0 0 90178 1 0 0 0 0 M END $$$$ D01206 -OEChem-05252109542D 48 48 0 1 0 0 0 0 0999 V2000 9.2968 4.2164 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 8.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.9030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 5.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 6.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.4030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6671 7.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 7.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3564 5.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1546 5.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 3.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8761 5.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 6.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 7.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8761 8.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 4.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 4.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 11 3 1 1 0 0 0 3 47 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 18 1 0 0 0 0 11 30 1 0 0 0 0 12 19 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$ D01207 -OEChem-05252109542D 57 59 0 1 0 0 0 0 0999 V2000 13.8116 0.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 3.2726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 1.7171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 3.2621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8232 1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 2.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 3.3205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 2.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.7630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2650 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5910 3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1315 2.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 31 2 0 0 0 0 4 33 1 0 0 0 0 4 56 1 0 0 0 0 5 33 2 0 0 0 0 6 34 1 0 0 0 0 6 57 1 0 0 0 0 7 34 2 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 40 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 41 1 0 0 0 0 11 19 1 0 0 0 0 11 23 2 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 12 43 1 0 0 0 0 24 13 1 1 0 0 0 13 31 1 0 0 0 0 13 51 1 0 0 0 0 14 23 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 1 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 24 27 1 0 0 0 0 24 33 1 0 0 0 0 24 44 1 0 0 0 0 25 29 1 0 0 0 0 25 45 1 0 0 0 0 26 30 2 0 0 0 0 26 46 1 0 0 0 0 27 32 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 32 34 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$ D01208 -OEChem-05252109542D 65 69 0 1 0 0 0 0 0999 V2000 10.6603 1.4521 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5479 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -2.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7354 -1.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -1.0687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0583 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -1.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -1.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7942 -0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9301 0.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7416 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3221 -0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8138 0.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 0.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9371 -0.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5353 0.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 -2.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8138 -2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 -2.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 0.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9325 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9365 0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9421 -0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 22 1 0 0 0 0 3 9 2 0 0 0 0 3 10 2 0 0 0 0 3 33 1 0 0 0 0 3 41 1 0 0 0 0 4 21 2 0 0 0 0 5 25 2 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 32 1 0 0 0 0 7 65 1 0 0 0 0 8 32 2 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 23 12 1 1 0 0 0 12 25 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 23 32 1 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 35 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 36 2 0 0 0 0 29 54 1 0 0 0 0 30 33 1 0 0 0 0 30 55 1 0 0 0 0 31 34 2 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 39 1 0 0 0 0 35 38 2 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 39 40 2 0 0 0 0 39 60 1 0 0 0 0 40 64 1 0 0 0 0 41 61 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 M END $$$$ D01209 -OEChem-05252109542D 63 67 0 1 0 0 0 0 0999 V2000 8.1301 1.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 -0.8596 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.9424 -0.0549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5260 -2.5916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 -1.6643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.8596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.3596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.1404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.3596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 -1.7256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0260 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5260 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0260 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0260 0.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5260 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2530 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5852 1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2495 3.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7160 -2.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 -1.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 -2.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0009 -1.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0009 -0.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 0.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6086 0.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9183 0.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 -2.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2160 -3.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6356 1.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 0.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 0.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -2.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -2.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -2.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -2.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 3.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8354 3.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7880 2.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 19 1 0 0 0 0 11 5 1 1 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 16 2 0 0 0 0 6 18 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 25 2 0 0 0 0 9 26 1 0 0 0 0 10 25 1 0 0 0 0 10 27 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 19 24 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 29 3 0 0 0 0 26 28 1 0 0 0 0 26 30 2 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 31 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 30 54 1 0 0 0 0 31 35 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 M END $$$$ D01210 -OEChem-05252109542D 61 62 0 1 0 0 0 0 0999 V2000 8.0902 -1.6302 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -3.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -4.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -3.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.4576 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6261 -0.6302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.4086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 0.8698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5691 1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -2.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6261 -1.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4921 -3.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8479 3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 -3.6302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7601 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -3.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7601 -2.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2242 -2.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 1.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 4.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 4.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -0.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2076 0.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 3.0252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 2.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2282 -2.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -1.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9552 -2.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2786 2.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 3.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 -3.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2242 -1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 4.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9271 3.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.7502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -3.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -4.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -4.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5305 4.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3933 5.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 5.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 -3.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -1.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7102 -0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 -0.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 -0.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 6 0 0 0 1 27 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 16 3 1 1 0 0 0 3 52 1 0 0 0 0 18 4 1 1 0 0 0 4 53 1 0 0 0 0 20 5 1 6 0 0 0 5 57 1 0 0 0 0 21 6 1 1 0 0 0 6 58 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 15 9 1 1 0 0 0 9 19 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 6 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 1 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 6 0 0 0 15 21 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 24 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 25 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 M END $$$$ D01211 -OEChem-05252109542D 18 18 0 0 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 M END $$$$ D01213 -OEChem-05252109542D 533538 0 1 0 0 0 0 0999 V2000 8.6201 -12.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -10.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 -8.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -15.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -4.9842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6201 -7.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 -5.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5842 -12.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 -9.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -17.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 -14.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 -6.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 -15.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -16.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -9.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -10.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -20.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 3.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5842 -5.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 7.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 2.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -23.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -1.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 8.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 11.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 -0.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5123 12.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5124 2.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 11.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5124 11.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 16.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 8.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0483 -3.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -26.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 17.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 20.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -25.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3784 20.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9764 15.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5123 20.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1104 17.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 21.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 25.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 22.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5841 24.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 22.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 24.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 26.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 26.5517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7899 22.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -11.0464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -13.6444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -6.7162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6201 -9.3143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -7.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -16.2424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -6.7162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6200 -7.5822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5902 -8.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 -12.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 -7.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 -15.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -18.8405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 -5.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -18.8405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 5.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -21.4386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0483 3.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5842 -3.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 8.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 1.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 -0.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -19.7065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -17.9745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 10.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -24.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5123 14.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 12.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -24.0367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.3784 17.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 19.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 -1.9483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 21.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 23.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -24.9027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -23.1707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 23.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 23.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2540 23.0517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6559 23.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9239 24.5517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0873 24.5462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 23.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -11.9124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1200 -11.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -5.8502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1200 -6.7162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2540 -12.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -14.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6200 -9.3143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6200 -14.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -12.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -5.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -10.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3784 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2444 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5124 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1104 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -7.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 -4.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -8.4483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 32.9765 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -5.8502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1200 -15.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -11.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2541 -13.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8425 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -5.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -15.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 -13.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -17.1085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.7085 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -4.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -4.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -7.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 -7.5822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0483 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 -8.4483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1200 -9.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -17.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 -9.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -9.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5745 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -9.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1200 -6.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 -10.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1200 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1200 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 -11.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -17.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -13.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5842 -14.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -4.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -12.9483 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.5842 -15.4483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6200 -17.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4406 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7427 -6.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 -15.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -8.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 -7.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -17.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -5.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -6.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9861 -6.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -4.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1200 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3066 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8521 -6.4483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7181 -15.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -19.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -9.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6200 -2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 5.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7803 5.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 5.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -6.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -20.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 4.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 -4.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -22.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7181 -3.9483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.1822 7.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0483 2.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 29.5124 5.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 4.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 6.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 -22.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -18.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 6.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -23.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 -1.9483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8521 -3.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -23.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5841 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 7.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 9.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.3162 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0482 8.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 14.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.7803 14.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -23.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 11.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.1822 -1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 13.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 10.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4502 8.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5841 6.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 11.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 15.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 14.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 2.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3784 16.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.5123 15.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 11.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -24.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5841 8.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 7.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 8.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0483 -2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2444 15.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5123 18.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.5123 17.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 20.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1200 -25.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -24.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 20.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6463 20.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 23.0517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.3784 19.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1104 16.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 22.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 23.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 19.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 23.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.1822 23.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 24.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3162 24.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.6463 25.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 25.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1822 25.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5841 23.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6463 26.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9143 26.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7181 23.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7803 26.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 23.5517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9861 23.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1200 24.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2540 25.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3880 23.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5220 23.0517 0.0000 C 0 0 2 0 0 0 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1 0 0 0 0 216456 1 0 0 0 0 216457 1 0 0 0 0 217458 1 0 0 0 0 217459 1 0 0 0 0 217460 1 0 0 0 0 219220 1 0 0 0 0 219227 1 0 0 0 0 219461 1 0 0 0 0 221462 1 0 0 0 0 221463 1 0 0 0 0 222231 1 0 0 0 0 222464 1 0 0 0 0 222465 1 0 0 0 0 223225 2 0 0 0 0 223466 1 0 0 0 0 224225 1 0 0 0 0 224467 1 0 0 0 0 227237 1 0 0 0 0 227468 1 0 0 0 0 227469 1 0 0 0 0 228229 1 0 0 0 0 228236 1 0 0 0 0 228471 1 0 0 0 0 230233 1 0 0 0 0 230234 1 0 0 0 0 230473 1 0 0 0 0 233240 1 0 0 0 0 233476 1 0 0 0 0 235238 1 0 0 0 0 235239 1 0 0 0 0 235477 1 0 0 0 0 236479 1 0 0 0 0 236480 1 0 0 0 0 239243 1 0 0 0 0 239484 1 0 0 0 0 239485 1 0 0 0 0 240488 1 0 0 0 0 240489 1 0 0 0 0 240490 1 0 0 0 0 241242 1 0 0 0 0 241244 1 0 0 0 0 241491 1 0 0 0 0 243245 2 0 0 0 0 243246 1 0 0 0 0 244247 1 0 0 0 0 244496 1 0 0 0 0 245249 1 0 0 0 0 245502 1 0 0 0 0 246250 2 0 0 0 0 246503 1 0 0 0 0 247504 1 0 0 0 0 247505 1 0 0 0 0 247506 1 0 0 0 0 248251 1 0 0 0 0 249252 2 0 0 0 0 249507 1 0 0 0 0 250252 1 0 0 0 0 250508 1 0 0 0 0 251510 1 0 0 0 0 251511 1 0 0 0 0 252512 1 0 0 0 0 253254 1 0 0 0 0 253255 1 0 0 0 0 253513 1 0 0 0 0 255256 1 0 0 0 0 255515 1 0 0 0 0 255516 1 0 0 0 0 256259 1 0 0 0 0 256518 1 0 0 0 0 256519 1 0 0 0 0 257258 1 0 0 0 0 258260 1 0 0 0 0 258520 1 0 0 0 0 260522 1 0 0 0 0 260523 1 0 0 0 0 260524 1 0 0 0 0 261262 1 0 0 0 0 261263 1 0 0 0 0 261525 1 0 0 0 0 263264 1 0 0 0 0 263526 1 0 0 0 0 263527 1 0 0 0 0 264265 2 0 0 0 0 265531 1 0 0 0 0 266533 1 0 0 0 0 M END $$$$ D01214 -OEChem-05252109542D 21 17 0 0 0 0 0 0 0999 V2000 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 3.0981 2.2990 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M CHG 6 2 -1 4 -1 5 -1 14 1 15 1 16 1 M END $$$$ D01215 -OEChem-05252109542D 689696 0 1 0 0 0 0 0999 V2000 65.2488 -12.0418 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.7025 14.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6887 13.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0569 14.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0842 11.1188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3457 12.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5584 15.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5357 11.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5524 11.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6229 12.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0569 14.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0539 12.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 12.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5494 10.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0479 9.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8466 8.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5759 16.3747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0274 17.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8286 6.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 20.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9181 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9002 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6075 2.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1463 2.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8392 -0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5070 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1999 -4.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.4461 -2.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.4246 -2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.0280 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5786 -6.4097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.9322 -5.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7208 -6.0424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.9670 -4.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6599 -7.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.9061 -6.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.5989 -9.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.5274 -4.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.8810 -3.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.8451 -7.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.7841 -9.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.5380 -10.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 74.7232 -10.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.9776 -11.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 71.4770 -12.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.3312 -10.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 74.0554 -10.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 76.4161 -14.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 65.4664 -5.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 63.8201 -5.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 68.7591 -6.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 77.0839 -14.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.8592 -16.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 77.7983 -18.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 74.5056 -17.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 81.3551 -15.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 78.7768 -18.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 82.0230 -16.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 83.0015 -16.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 86.2942 -17.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 86.6048 -16.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 86.8690 -12.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 90.4723 -12.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 91.8080 -14.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 90.5189 -15.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 90.7365 -9.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4173 15.7654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0599 16.1916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9658 13.5165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0569 14.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 10.9407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.5554 13.5857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8285 10.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5524 11.8502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 11.9876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2240 7.6005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0509 10.9798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1357 9.3012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 14.3853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3671 11.2231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8530 16.1966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0217 16.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.1823 6.6558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 13.8511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 18.5944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.2073 4.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9747 20.9399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 20.4057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5430 2.7281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 18.0602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.8572 1.4457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.9646 0.4146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.1928 -0.0429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.7856 6.5302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 39.2179 -2.4820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.8427 -2.8139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 44.1569 -4.0962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.2609 -4.5039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 46.7818 -4.4281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.7388 -4.0157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.3636 -4.3475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 53.6778 -5.6299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.0995 -7.9434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 56.3027 -5.9618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.6169 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0 0 330331 1 0 0 0 0 330332 1 0 0 0 0 330672 1 0 0 0 0 332333 1 0 0 0 0 332673 1 0 0 0 0 332674 1 0 0 0 0 333335 1 0 0 0 0 333676 1 0 0 0 0 333677 1 0 0 0 0 334336 1 0 0 0 0 336678 1 0 0 0 0 336679 1 0 0 0 0 337338 1 0 0 0 0 338339 1 0 0 0 0 338681 1 0 0 0 0 339340 1 0 0 0 0 339683 1 0 0 0 0 339684 1 0 0 0 0 340341 2 0 0 0 0 341687 1 0 0 0 0 342689 1 0 0 0 0 M END $$$$ D01216 -OEChem-05252109542D 65 63 0 0 0 0 0 0 0999 V2000 1.7320 6.1330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 10.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 8.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 9.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 9.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 8.3070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.1330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.6330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 8.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 9.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 9.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 7.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 4.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 3.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 3.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4902 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4902 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 1.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 1.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4902 10.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4902 9.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 9.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 9.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 7.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 8.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 7.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 4.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 11.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 9.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 6.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 7.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 1.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 9.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 21 1 0 0 0 0 2 54 1 0 0 0 0 3 22 1 0 0 0 0 3 55 1 0 0 0 0 4 23 1 0 0 0 0 4 56 1 0 0 0 0 5 24 1 0 0 0 0 5 57 1 0 0 0 0 6 25 1 0 0 0 0 6 58 1 0 0 0 0 7 26 1 0 0 0 0 7 59 1 0 0 0 0 8 33 2 0 0 0 0 9 34 2 0 0 0 0 10 36 1 0 0 0 0 10 64 1 0 0 0 0 11 37 1 0 0 0 0 11 65 1 0 0 0 0 12 36 2 0 0 0 0 13 37 2 0 0 0 0 14 19 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 20 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 27 1 0 0 0 0 16 33 1 0 0 0 0 16 62 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 0 0 0 0 17 63 1 0 0 0 0 18 35 3 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 M END $$$$ D01217 -OEChem-05252109542D 28 29 0 1 0 0 0 0 0999 V2000 2.0000 -1.0194 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0194 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.0684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 3.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 1.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 22 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ D01218 -OEChem-05252109542D 46 47 0 1 0 0 0 0 0999 V2000 4.4004 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.5972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.5972 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 7.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2651 6.1247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3933 7.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.5972 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 3.5972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 4.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.5972 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6155 3.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 6.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 5.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 6.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 6.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 3.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 4.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 3.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3967 2.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 4.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 3.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 6.4367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 46 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 4 22 2 0 0 0 0 5 26 1 0 0 0 0 5 45 1 0 0 0 0 6 26 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 34 1 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$ D01219 -OEChem-05252109542D 96100 0 0 0 0 0 0 0999 V2000 6.8832 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5884 11.1867 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 10.6799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0816 9.8664 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5068 7.5053 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.8256 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 8.0121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2154 7.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 10.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7492 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3832 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 9.0460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 11.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8141 8.5506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 6.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0453 7.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4421 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8241 6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0508 7.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 8.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 10.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 8.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 9.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 8.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 10.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 9.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1331 5.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 5.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2209 7.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4575 6.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8086 6.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8180 4.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4481 4.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1604 5.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1057 5.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8386 4.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4276 4.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4019 9.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 11.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 12.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9952 10.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 12.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 13.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 11.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9527 12.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 13.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3594 13.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 10.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1392 11.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 9.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 10.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 9.3324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 8.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0172 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6025 7.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 8.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4935 7.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2217 6.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 10.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0202 8.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2921 8.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 7.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6394 7.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8014 9.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 10.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 8.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 8.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2569 11.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5287 11.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7844 10.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 9.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6423 7.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6239 7.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3695 12.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6196 3.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6465 3.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1975 8.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7664 5.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 5.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2516 4.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 4.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8326 8.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9159 9.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 13.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 12.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 14.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 14.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 10.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7748 11.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 8.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 10.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7072 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3272 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2861 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 55 1 0 0 0 0 2 42 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 54 1 0 0 0 0 6 54 1 0 0 0 0 7 54 1 0 0 0 0 8 30 2 0 0 0 0 9 40 2 0 0 0 0 10 96 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 22 1 0 0 0 0 14 40 1 0 0 0 0 14 75 1 0 0 0 0 15 30 1 0 0 0 0 15 39 1 0 0 0 0 15 78 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 30 1 0 0 0 0 17 20 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 28 1 0 0 0 0 18 31 2 0 0 0 0 19 29 1 0 0 0 0 19 32 2 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 26 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 34 2 0 0 0 0 31 35 1 0 0 0 0 31 73 1 0 0 0 0 32 36 1 0 0 0 0 32 74 1 0 0 0 0 33 37 1 0 0 0 0 33 76 1 0 0 0 0 34 38 1 0 0 0 0 34 77 1 0 0 0 0 35 37 2 0 0 0 0 35 79 1 0 0 0 0 36 38 2 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 39 42 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 40 41 1 0 0 0 0 41 43 1 0 0 0 0 41 44 2 0 0 0 0 43 45 1 0 0 0 0 43 46 2 0 0 0 0 44 47 1 0 0 0 0 44 85 1 0 0 0 0 45 49 2 0 0 0 0 45 50 1 0 0 0 0 46 48 1 0 0 0 0 46 86 1 0 0 0 0 47 48 2 0 0 0 0 47 87 1 0 0 0 0 48 88 1 0 0 0 0 49 51 1 0 0 0 0 49 89 1 0 0 0 0 50 52 2 0 0 0 0 50 90 1 0 0 0 0 51 53 2 0 0 0 0 51 91 1 0 0 0 0 52 53 1 0 0 0 0 52 92 1 0 0 0 0 53 54 1 0 0 0 0 55 93 1 0 0 0 0 55 94 1 0 0 0 0 55 95 1 0 0 0 0 M END $$$$ D01220 -OEChem-05252109542D 67 71 0 1 0 0 0 0 0999 V2000 4.4177 2.4561 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 5.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 -0.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -5.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 0.7147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -3.7853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 3.4284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5694 -5.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 2.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 3.7147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7034 2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 2.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9714 1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -1.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9364 4.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7384 4.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5694 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -2.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 5.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 5.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5694 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 5.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 5.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 3.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9514 5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 3.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 4.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -4.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7204 4.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3744 3.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1177 3.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 2.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 2.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 1.3223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1665 -1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3140 -0.8930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -2.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7815 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 -2.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7815 -3.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -3.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2268 -3.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 -3.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 6.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 6.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8960 6.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 6.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 6.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 6.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 3.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9415 3.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5694 -5.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1063 -4.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 36 1 0 0 0 0 3 33 1 0 0 0 0 4 20 2 0 0 0 0 5 34 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 34 1 0 0 0 0 8 18 1 0 0 0 0 8 35 2 0 0 0 0 9 34 1 0 0 0 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F 0 0 0 0 0 0 0 0 0 0 0 0 5.9036 2.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 -0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -1.6512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -2.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8144 -2.2116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 1.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 3.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 -1.4481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 -1.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 -0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 1.2465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4377 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 0.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 1.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0124 0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 -2.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 0.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6356 2.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 1.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1439 -3.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3113 -1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 -2.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 -2.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 1.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2327 0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 0.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 -0.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 0.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8799 2.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 -0.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 -1.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8761 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0386 0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5654 -3.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3671 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7223 -3.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1726 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 11 2 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 26 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 30 3 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 21 1 6 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 27 2 0 0 0 0 22 38 1 0 0 0 0 23 28 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$ D01225 -OEChem-05252109542D 420418 0 1 0 0 0 0 0999 V2000 10.9825 23.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9152 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1832 14.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7146 21.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 21.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6473 14.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4511 16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4466 23.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 14.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1787 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6473 28.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4466 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1787 21.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7146 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9152 30.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9825 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1832 28.0000 0.0000 O 0 0 0 0 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1 0 0 0 0 144335 1 0 0 0 0 145336 1 0 0 0 0 145337 1 0 0 0 0 145338 1 0 0 0 0 146340 1 0 0 0 0 146341 1 0 0 0 0 146342 1 0 0 0 0 147343 1 0 0 0 0 147344 1 0 0 0 0 147345 1 0 0 0 0 148346 1 0 0 0 0 148347 1 0 0 0 0 148348 1 0 0 0 0 149349 1 0 0 0 0 149350 1 0 0 0 0 149351 1 0 0 0 0 151161 1 0 0 0 0 151162 1 0 0 0 0 151352 1 0 0 0 0 152163 1 0 0 0 0 152164 1 0 0 0 0 152353 1 0 0 0 0 153354 1 0 0 0 0 153355 1 0 0 0 0 153356 1 0 0 0 0 154357 1 0 0 0 0 154358 1 0 0 0 0 154359 1 0 0 0 0 155360 1 0 0 0 0 155361 1 0 0 0 0 155362 1 0 0 0 0 156363 1 0 0 0 0 156364 1 0 0 0 0 156365 1 0 0 0 0 158366 1 0 0 0 0 158367 1 0 0 0 0 159369 1 0 0 0 0 159370 1 0 0 0 0 160371 1 0 0 0 0 160372 1 0 0 0 0 161373 1 0 0 0 0 161374 1 0 0 0 0 161375 1 0 0 0 0 162376 1 0 0 0 0 162377 1 0 0 0 0 162378 1 0 0 0 0 163379 1 0 0 0 0 163380 1 0 0 0 0 163381 1 0 0 0 0 164382 1 0 0 0 0 164383 1 0 0 0 0 164384 1 0 0 0 0 165168 1 0 0 0 0 165173 1 0 0 0 0 165385 1 0 0 0 0 166167 1 0 0 0 0 167169 1 0 0 0 0 167387 1 0 0 0 0 168170 1 0 0 0 0 168388 1 0 0 0 0 168389 1 0 0 0 0 169171 1 0 0 0 0 169390 1 0 0 0 0 169391 1 0 0 0 0 170172 1 0 0 0 0 170392 1 0 0 0 0 170393 1 0 0 0 0 171174 1 0 0 0 0 171396 1 0 0 0 0 171397 1 0 0 0 0 172175 1 0 0 0 0 172402 1 0 0 0 0 172403 1 0 0 0 0 174176 1 0 0 0 0 174404 1 0 0 0 0 174405 1 0 0 0 0 175408 1 0 0 0 0 175409 1 0 0 0 0 176410 1 0 0 0 0 176411 1 0 0 0 0 177178 1 0 0 0 0 177417 1 0 0 0 0 177418 1 0 0 0 0 177419 1 0 0 0 0 M END $$$$ D01226 -OEChem-05252109542D 30 32 0 1 0 0 0 0 0999 V2000 3.3448 -1.4353 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -4.4353 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.1525 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 1.1036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.8261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 4.0286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -0.4353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8858 0.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -1.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 1.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 -2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0768 -3.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 3.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 3.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 4.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -0.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 0.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -1.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -3.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -3.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 2.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 5.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 20 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 18 21 2 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$ D01228 -OEChem-05252109542D 57 61 0 1 0 0 0 0 0999 V2000 6.4314 6.3613 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 2.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -3.3102 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4047 -0.5591 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8427 -5.3664 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3839 -2.3591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3839 -2.3591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8492 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9185 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 -3.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8839 -3.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3631 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -4.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 -3.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 -5.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -4.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 1.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -6.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9147 2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 3.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 4.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9214 3.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 5.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 5.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5392 -2.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2285 -2.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 -1.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 -1.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 -1.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 0.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9746 -3.1156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -3.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4049 -4.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -5.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3845 0.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 -3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -6.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0921 -5.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 1.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9349 0.7762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 -6.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 -6.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -6.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 1.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 2.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 4.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 3.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6201 6.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0447 4.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 23 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 6 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 18 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 20 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$ D01230 -OEChem-05252109542D 100109 0 1 0 0 0 0 0999 V2000 7.3197 -1.8797 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 0.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 0.4245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -2.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 -4.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -2.9073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 -4.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 -3.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 1.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -5.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 5.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 -0.7676 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2754 1.4874 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3023 -0.4373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4585 1.5290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -1.3268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7532 -0.4612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0120 0.5048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9787 0.1936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4755 -2.3669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7600 -1.2098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4436 0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0248 -1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 -2.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -2.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 -0.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3944 2.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 -2.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 -2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -3.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6744 -0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3841 -0.0412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7801 -0.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6129 -3.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -4.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9509 -2.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 0.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1044 0.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 1.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -5.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8859 -2.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7495 2.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 -5.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2699 3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2263 -4.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 3.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0965 -6.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 4.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 6.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 -2.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 -0.6813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 1.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3701 0.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -3.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -1.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 0.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 0.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 0.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -0.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7929 2.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9195 2.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9959 1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 0.8953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -1.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 -0.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 -0.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -1.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3826 -0.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6984 0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 -3.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 1.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1313 1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 -2.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -3.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8278 -5.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -6.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -5.4360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6659 -2.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 -2.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1059 -1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 1.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8899 3.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0018 -4.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 -4.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 -3.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 3.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -6.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 -6.3523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 -5.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 4.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2672 6.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4184 6.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1987 5.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 32 1 0 0 0 0 19 2 1 1 0 0 0 2 70 1 0 0 0 0 3 27 1 0 0 0 0 3 39 1 0 0 0 0 4 30 1 0 0 0 0 4 44 1 0 0 0 0 5 31 1 0 0 0 0 5 49 1 0 0 0 0 6 29 1 0 0 0 0 6 77 1 0 0 0 0 7 35 1 0 0 0 0 7 44 1 0 0 0 0 8 37 1 0 0 0 0 8 51 1 0 0 0 0 9 39 2 0 0 0 0 10 49 2 0 0 0 0 11 54 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 33 14 1 1 0 0 0 14 42 1 0 0 0 0 14 74 1 0 0 0 0 15 40 1 0 0 0 0 15 48 1 0 0 0 0 15 88 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 1 0 0 0 17 23 1 0 0 0 0 17 58 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 59 1 6 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 61 1 1 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 21 62 1 1 0 0 0 22 26 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 26 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 31 2 0 0 0 0 25 30 2 0 0 0 0 26 34 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 37 2 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 34 38 2 0 0 0 0 34 73 1 0 0 0 0 35 36 2 0 0 0 0 36 45 1 0 0 0 0 37 38 1 0 0 0 0 38 46 1 0 0 0 0 40 41 2 0 0 0 0 41 43 1 0 0 0 0 41 47 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 47 48 2 0 0 0 0 47 50 1 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 50 54 2 0 0 0 0 50 89 1 0 0 0 0 51 90 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 52 55 2 0 0 0 0 52 93 1 0 0 0 0 53 94 1 0 0 0 0 53 95 1 0 0 0 0 53 96 1 0 0 0 0 54 55 1 0 0 0 0 55 97 1 0 0 0 0 56 98 1 0 0 0 0 56 99 1 0 0 0 0 56100 1 0 0 0 0 M END $$$$ D01232 -OEChem-05252109542D 71 73 0 1 0 0 0 0 0999 V2000 10.1333 3.3752 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 3.3752 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.8083 -1.7126 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -4.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5103 -2.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 -0.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 6.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 6.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 -1.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 -0.1248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -5.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -5.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -6.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3347 -4.0727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7524 -4.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -4.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -6.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -3.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9115 -3.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 -5.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3183 -4.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7305 -5.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4993 -2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4993 -2.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 -1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 -2.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 3.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9993 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 4.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 4.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 4.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 5.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -4.8857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 -5.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 -6.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -5.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4114 -6.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -6.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 -4.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -4.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 -4.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -5.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0305 -5.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4944 -2.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6758 -2.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3616 -3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 -5.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -6.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -7.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -7.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 -4.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9827 -5.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8637 -3.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5806 -1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8992 -2.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -2.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4624 0.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4624 1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2683 1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3284 4.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2874 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 4.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9074 4.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5974 6.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 14 4 1 1 0 0 0 4 15 1 0 0 0 0 5 18 1 0 0 0 0 5 28 1 0 0 0 0 6 30 2 0 0 0 0 7 39 1 0 0 0 0 7 71 1 0 0 0 0 8 39 2 0 0 0 0 9 25 1 0 0 0 0 9 27 2 0 0 0 0 10 27 1 0 0 0 0 10 30 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 2 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 26 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 33 35 2 0 0 0 0 33 66 1 0 0 0 0 36 37 2 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 M END $$$$ D01233 -OEChem-05252109542D 65 68 0 1 0 0 0 0 0999 V2000 6.3246 -1.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -3.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -2.2977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 1.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2316 3.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.0648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -1.3472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5170 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9872 0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9704 2.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 2.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 1.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2491 0.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2491 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -3.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 -0.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2807 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8740 -1.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 1.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 0.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3643 -2.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 3.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3811 3.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 2.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6788 1.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4608 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 2.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3782 2.0083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 -1.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8383 3.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 3.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 2.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7860 -0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7860 1.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2455 -2.9141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 2 0 0 0 0 3 35 2 0 0 0 0 10 4 1 1 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 12 5 1 6 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 45 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 7 47 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 55 1 0 0 0 0 9 17 1 0 0 0 0 9 58 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 22 2 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 20 1 0 0 0 0 16 24 2 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 21 1 0 0 0 0 18 27 2 0 0 0 0 20 23 1 0 0 0 0 20 29 2 0 0 0 0 21 28 2 0 0 0 0 22 44 1 0 0 0 0 23 30 2 0 0 0 0 24 46 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 30 34 1 0 0 0 0 30 60 1 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END $$$$ D01234 -OEChem-05252109542D 38 37 0 1 0 0 0 0 0999 V2000 4.5981 1.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.2679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1340 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -2.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$ D01237 -OEChem-05252109542D 30 30 0 0 0 0 0 0 0999 V2000 2.0000 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 4 20 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 12 2 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 11 16 2 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$ D01238 -OEChem-05252109542D 40 41 0 1 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$ D01241 -OEChem-05252109542D 37 36 0 1 0 0 0 0 0999 V2000 4.8660 -3.9151 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.2680 -0.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -0.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.4151 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1340 -1.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -1.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.4151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5000 0.4510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -2.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -2.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -2.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 2.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 3.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 4.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 27 1 0 0 0 0 14 18 3 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ D01244 -OEChem-05252109542D 53 57 0 1 0 0 0 0 0999 V2000 3.4219 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.1561 3.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 5.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 4.4016 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 1.6897 4.8771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5133 4.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3370 4.8771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2392 5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.4016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6897 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1166 4.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8487 4.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 6.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 3.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8234 5.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 5.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 6.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 5.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 5.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6114 3.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 5.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 6.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 2.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 4.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 3.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 2.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 3.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 4.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3437 5.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5901 6.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 7.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 8.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 2 1 1 0 0 0 2 50 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 53 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 1 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 21 1 0 0 0 0 12 33 1 1 0 0 0 13 18 2 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 24 1 0 0 0 0 17 40 1 0 0 0 0 18 25 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$ D01248 -OEChem-05252109542D 64 65 0 1 0 0 0 0 0999 V2000 10.9108 4.2633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0521 9.7410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8597 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.2458 2.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5507 0.9511 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1980 1.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 3.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 6.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1615 7.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 10.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6799 8.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 2.9543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 4.6670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8345 6.0841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 7.7580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2737 9.1132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 3.9543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4986 3.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9108 2.6453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9515 3.9584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9515 2.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 4.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3076 2.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2198 1.6942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 4.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5737 5.1187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6073 4.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1289 6.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 8.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 9.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 8.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 5.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3465 3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9352 5.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 10.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6744 4.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8285 4.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4724 2.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 3.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6720 3.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 4.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9432 4.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9432 2.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 2.5021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6720 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4075 5.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 5.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4337 6.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 8.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3226 8.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5317 9.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7565 9.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 6.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 3.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4976 5.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2183 3.0411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 9.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 10.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 10.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 4.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 5.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 17 1 0 0 0 0 2 37 1 0 0 0 0 4 22 2 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 7 26 2 0 0 0 0 8 29 2 0 0 0 0 9 32 2 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 22 1 0 0 0 0 21 14 1 1 0 0 0 14 26 1 0 0 0 0 14 48 1 0 0 0 0 27 15 1 1 0 0 0 15 29 1 0 0 0 0 15 50 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 32 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 6 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 6 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 33 35 1 0 0 0 0 33 55 1 0 0 0 0 34 36 2 0 0 0 0 34 56 1 0 0 0 0 35 38 2 0 0 0 0 35 57 1 0 0 0 0 36 38 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M CHG 2 3 1 5 -1 M END $$$$ D01249 -OEChem-05252109542D 38 40 0 0 0 0 0 0 0999 V2000 3.0142 3.4514 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5365 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4783 5.9676 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 2.1244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3516 4.3151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 0.9630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 3.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9751 3.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 4.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9876 1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 3.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 5.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 0.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2004 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 6.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 5.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0472 6.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4866 6.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 7.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5337 3.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3617 4.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0522 1.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 1.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 4.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 0.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8186 0.0182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6952 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7475 1.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 4.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3964 7.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 6.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 7.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 3.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 38 1 0 0 0 0 3 20 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$ D01251 -OEChem-05252109542D 24 24 0 1 0 0 0 0 0999 V2000 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 21 1 0 0 0 0 8 2 1 1 0 0 0 2 22 1 0 0 0 0 9 3 1 6 0 0 0 3 23 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 1 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 M END $$$$ D01252 -OEChem-05252109542D 37 37 0 1 0 0 0 0 0999 V2000 5.7331 5.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0005 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.2400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8665 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 6.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 5.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 9.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 20 1 0 0 0 0 2 36 1 0 0 0 0 3 22 1 0 0 0 0 3 37 1 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 19 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$ D01253 -OEChem-05252109542D 781807 0 1 0 0 0 0 0999 V2000 11.0084 19.7261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 18.4259 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.4888 16.7580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.3614 -19.9140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.8111 -16.1679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.3794 -23.2315 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8582 23.0805 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7601 -11.6879 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.2158 -24.7362 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.8954 12.2283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.2898 -11.0944 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8595 8.1037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.5632 -7.9605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.3024 9.1674 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 26.3142 -3.7410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 32.3525 3.5316 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.9676 6.3851 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 31.0846 -0.8192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 28.3321 -0.4234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8001 19.2349 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.0303 19.9340 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.5378 16.4490 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 19.4479 -19.5073 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.0679 -15.4988 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.0704 -22.2805 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.7158 -23.8702 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8582 23.0805 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.6261 -12.1879 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.3954 13.0944 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 22.2679 -10.8865 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.0675 9.0819 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 25.4293 -7.4605 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 24.3888 9.5741 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 26.6232 -2.7899 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.6586 7.3361 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.3525 3.5316 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 31.8278 -0.1501 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 28.2276 -1.4179 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.6261 -13.9199 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.8713 18.6469 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 18.7152 -14.9636 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.8497 -22.3702 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 20.9114 -23.5677 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 18.1777 14.7548 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 23.4269 -12.1737 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.8954 13.9604 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 15.5045 20.8172 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 30.4865 2.0316 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 19.6289 -21.2298 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 33.4750 -0.6853 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 27.2095 -2.8192 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 29.8176 8.6233 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 24.2078 11.2967 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 22.7147 9.6171 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 25.4642 -1.5027 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.9922 24.5805 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 26.9293 -8.3265 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.2685 17.4661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9650 18.1940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7723 -18.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0410 14.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7093 -18.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7296 17.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3090 -24.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0218 20.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4756 20.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8114 -13.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 18.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6169 17.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8236 -17.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3614 -17.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5867 16.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8546 -18.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8317 -25.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 22.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0521 20.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7614 -21.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 -25.2362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7726 -10.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3248 -14.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2614 13.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2158 -23.0041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9370 -22.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0492 24.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0590 9.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6091 19.8227 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.2123 20.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8582 23.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2194 -9.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8223 18.9559 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2382 20.9122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8468 15.4979 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.2288 17.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1261 -11.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0411 -20.4208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.5343 -19.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7371 -14.7557 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.3988 -16.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1193 -22.5895 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.0214 -21.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6183 25.2066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2679 -27.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8582 23.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7626 18.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 16.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8920 -17.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6622 22.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0778 -17.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8497 -23.3702 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.5818 -24.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8582 24.0805 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8582 22.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0893 9.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0126 18.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2255 -17.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1261 -13.0539 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.4922 -12.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4840 -15.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8954 13.9604 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.5294 12.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2251 -26.2663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 19.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0632 -10.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9543 -27.7554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4979 -10.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6435 25.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0808 6.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0600 -9.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6626 -9.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8216 -21.2239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8269 14.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6206 -21.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9347 -4.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6502 10.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1889 1.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9821 8.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4758 -11.8647 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.2461 -10.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9293 -6.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1234 -3.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3471 5.3682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9843 0.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5903 26.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7553 -22.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9839 8.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0456 8.8740 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.2754 10.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0556 24.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3496 8.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9322 -1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1586 0.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3525 3.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2221 -1.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9293 -8.3265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 26.2953 -6.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7956 10.4877 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.4753 9.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3138 5.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6721 -2.4809 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 27.5742 -3.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 475772 1 0 0 0 0 476773 1 0 0 0 0 476774 1 0 0 0 0 476775 1 0 0 0 0 M CHG 8 39 1 40 1 41 1 42 1 43 1 44 1 45 1 46 1 M CHG 8 47 1 48 1 49 1 50 1 51 1 52 1 53 1 54 1 M CHG 8 55 1 56 1 57 1 86 -1 90 -1 92 -1 95 -1 97 -1 M CHG 8 99 -1 109 -1 111 -1 116 -1 119 -1 137 -1 146 -1 154 -1 M CHG 6 156 -1 159 -1 161 -1 163 -1 165 -1 167 -1 M END $$$$ D01254 -OEChem-05252109542D 52 54 0 1 0 0 0 0 0999 V2000 9.1448 6.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 4.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 5.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 5.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 5.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.9936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 4.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 6.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0038 5.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8916 4.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 11 2 1 6 0 0 0 2 43 1 0 0 0 0 3 24 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 36 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 6 26 1 0 0 0 0 6 28 2 0 0 0 0 7 28 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 27 50 1 0 0 0 0 M END $$$$ D01255 -OEChem-05252109542D 42 45 0 1 0 0 0 0 0999 V2000 7.1060 1.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1654 -0.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 2.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 -0.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7465 -1.6978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7756 3.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 2.2647 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6327 -0.5873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3434 -2.7135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 2.2647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2970 1.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7970 3.2157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7970 3.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 0.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6852 1.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5737 -0.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0195 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9775 1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -1.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 1.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8617 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3652 3.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8618 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 3.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 0.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0871 -0.4254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5859 1.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7673 2.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 1.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 1.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 0.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0257 -0.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 -3.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 -2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 24 2 0 0 0 0 10 6 1 6 0 0 0 12 6 1 6 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 22 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 24 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 6 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$ D01256 -OEChem-05252109542D 64 64 0 0 0 0 0 0 0999 V2000 3.0245 6.6275 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6275 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 4.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5023 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5450 0.3162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5450 13.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 4.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 8.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7080 2.8260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7080 10.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1168 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1168 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0107 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0107 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 6.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3847 7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2508 7.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9168 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8593 4.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8593 9.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 5.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 7.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8478 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8478 10.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 6.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6964 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6964 11.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 1.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 12.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4587 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4587 9.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 4.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0781 4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0781 8.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4686 9.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2385 3.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 11.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2385 10.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 6.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 7.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2484 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2484 10.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0871 1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 12.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0871 11.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 4.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 9.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1659 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7754 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7754 11.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1659 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0783 13.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 6.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 6.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 63 1 0 0 0 0 2 64 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 25 1 0 0 0 0 5 55 1 0 0 0 0 6 26 1 0 0 0 0 6 56 1 0 0 0 0 7 33 1 0 0 0 0 7 61 1 0 0 0 0 8 34 1 0 0 0 0 8 62 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 9 37 1 0 0 0 0 10 16 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 11 27 1 0 0 0 0 11 31 1 0 0 0 0 11 49 1 0 0 0 0 12 28 1 0 0 0 0 12 32 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 2 0 0 0 0 18 20 1 0 0 0 0 18 26 2 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 27 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 28 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ D01257 -OEChem-05252109542D 156159 0 1 0 0 0 0 0999 V2000 12.0509 2.5132 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 12.0509 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.8022 12.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8022 15.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 10.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1984 18.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4061 12.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1984 15.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 6.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4003 21.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 9.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1324 18.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 7.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1324 20.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 11.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3022 16.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 10.5633 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 18.8022 17.4915 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.9362 10.0633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6682 17.9915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8022 11.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8022 16.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 10.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8022 17.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 10.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 17.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 12.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6682 15.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3022 9.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3022 18.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 9.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6682 18.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 11.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 16.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 11.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3022 16.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 10.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4282 18.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 19.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4282 15.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 11.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3022 16.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 10.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3343 17.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 11.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3343 16.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 9.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4003 18.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 7.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 20.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 7.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4003 20.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2663 19.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 7.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2663 20.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8022 12.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8022 15.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 10.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0663 17.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 13.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1945 14.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3022 13.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3022 14.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 13.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3022 14.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 5.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5343 22.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 8.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9984 19.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 6.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1324 21.9915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 14.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8022 14.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4731 9.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1313 18.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 11.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 12.1459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1916 16.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5902 15.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6946 9.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 10.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9099 18.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2196 17.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 12.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 12.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2697 15.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8848 14.6814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 12.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8848 12.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4099 15.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7196 15.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 5.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 5.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 6.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8443 23.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9973 22.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2243 21.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2961 9.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0691 8.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 8.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3084 18.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5353 19.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6884 20.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 6.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 5.4433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 6.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7524 21.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1324 22.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5124 21.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 14.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1122 13.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 43 1 0 0 0 0 3 59 1 0 0 0 0 4 44 1 0 0 0 0 4 60 1 0 0 0 0 5 45 1 0 0 0 0 5 61 1 0 0 0 0 6 46 1 0 0 0 0 6 62 1 0 0 0 0 7 47 1 0 0 0 0 7 63 1 0 0 0 0 8 48 1 0 0 0 0 8 64 1 0 0 0 0 9 53 1 0 0 0 0 9 69 1 0 0 0 0 10 54 1 0 0 0 0 10 70 1 0 0 0 0 11 55 1 0 0 0 0 11 71 1 0 0 0 0 12 56 1 0 0 0 0 12 72 1 0 0 0 0 13 57 1 0 0 0 0 13 73 1 0 0 0 0 14 58 1 0 0 0 0 14 74 1 0 0 0 0 15 59 2 0 0 0 0 16 60 2 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 30 1 0 0 0 0 19 25 1 0 0 0 0 19 31 1 6 0 0 0 19 77 1 0 0 0 0 20 26 1 0 0 0 0 20 32 1 6 0 0 0 20 78 1 0 0 0 0 21 27 1 0 0 0 0 21 79 1 0 0 0 0 21 80 1 0 0 0 0 22 28 1 0 0 0 0 22 81 1 0 0 0 0 22 82 1 0 0 0 0 23 35 1 0 0 0 0 23 83 1 0 0 0 0 23 84 1 0 0 0 0 24 36 1 0 0 0 0 24 85 1 0 0 0 0 24 86 1 0 0 0 0 25 33 1 0 0 0 0 25 37 2 0 0 0 0 26 34 1 0 0 0 0 26 38 2 0 0 0 0 27 33 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 34 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 29 93 1 0 0 0 0 30 94 1 0 0 0 0 30 95 1 0 0 0 0 30 96 1 0 0 0 0 31 39 1 0 0 0 0 31 97 1 0 0 0 0 31 98 1 0 0 0 0 32 40 1 0 0 0 0 32 99 1 0 0 0 0 32100 1 0 0 0 0 33 41 2 0 0 0 0 34 42 2 0 0 0 0 35 43 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 36 44 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37 45 1 0 0 0 0 37105 1 0 0 0 0 38 46 1 0 0 0 0 38106 1 0 0 0 0 39 49 2 0 0 0 0 39 51 1 0 0 0 0 40 50 2 0 0 0 0 40 52 1 0 0 0 0 41 47 1 0 0 0 0 41107 1 0 0 0 0 42 48 1 0 0 0 0 42108 1 0 0 0 0 43109 1 0 0 0 0 43110 1 0 0 0 0 44111 1 0 0 0 0 44112 1 0 0 0 0 45 47 2 0 0 0 0 46 48 2 0 0 0 0 49 55 1 0 0 0 0 49113 1 0 0 0 0 50 56 1 0 0 0 0 50114 1 0 0 0 0 51 53 2 0 0 0 0 51115 1 0 0 0 0 52 54 2 0 0 0 0 52116 1 0 0 0 0 53 57 1 0 0 0 0 54 58 1 0 0 0 0 55 57 2 0 0 0 0 56 58 2 0 0 0 0 59 65 1 0 0 0 0 60 66 1 0 0 0 0 61117 1 0 0 0 0 61118 1 0 0 0 0 61119 1 0 0 0 0 62120 1 0 0 0 0 62121 1 0 0 0 0 62122 1 0 0 0 0 63123 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 64126 1 0 0 0 0 64127 1 0 0 0 0 64128 1 0 0 0 0 65 67 1 0 0 0 0 65129 1 0 0 0 0 65130 1 0 0 0 0 66 68 1 0 0 0 0 66131 1 0 0 0 0 66132 1 0 0 0 0 67 75 1 0 0 0 0 67133 1 0 0 0 0 67134 1 0 0 0 0 68 76 1 0 0 0 0 68135 1 0 0 0 0 68136 1 0 0 0 0 69137 1 0 0 0 0 69138 1 0 0 0 0 69139 1 0 0 0 0 70140 1 0 0 0 0 70141 1 0 0 0 0 70142 1 0 0 0 0 71143 1 0 0 0 0 71144 1 0 0 0 0 71145 1 0 0 0 0 72146 1 0 0 0 0 72147 1 0 0 0 0 72148 1 0 0 0 0 73149 1 0 0 0 0 73150 1 0 0 0 0 73151 1 0 0 0 0 74152 1 0 0 0 0 74153 1 0 0 0 0 74154 1 0 0 0 0 75 76 2 0 0 0 0 75155 1 0 0 0 0 76156 1 0 0 0 0 M CHG 4 1 -1 2 -1 17 1 18 1 M END $$$$ D01261 -OEChem-05252109542D 65 69 0 1 0 0 0 0 0999 V2000 5.0182 -0.8385 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 0.4647 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 0.6518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 1.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 3.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.6045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.6045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.6045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.2998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.6045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -2.1114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -3.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.6738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 1.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5210 2.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0225 2.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 3.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.1497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -1.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.9615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -1.3766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5074 -0.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 1.5278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 3.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 4.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 2 28 1 0 0 0 0 13 3 1 6 0 0 0 3 30 1 0 0 0 0 17 4 1 1 0 0 0 4 58 1 0 0 0 0 5 23 2 0 0 0 0 6 30 2 0 0 0 0 7 31 2 0 0 0 0 8 32 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 1 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 24 1 6 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 25 1 1 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 29 2 0 0 0 0 26 57 1 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 35 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END $$$$ D01263 -OEChem-05252109542D 79 80 0 1 0 0 0 0 0999 V2000 12.8923 4.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9904 5.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3923 5.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5263 5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2583 5.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 5.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1244 5.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 4.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2583 6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9539 4.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8307 4.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7214 6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 3.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 4.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8783 6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 7.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6383 6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 4.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 3.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5044 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7444 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 5.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 5.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 11 1 1 6 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 15 3 1 6 0 0 0 3 56 1 0 0 0 0 17 4 1 6 0 0 0 4 57 1 0 0 0 0 18 5 1 1 0 0 0 5 58 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 26 2 0 0 0 0 8 35 1 0 0 0 0 8 79 1 0 0 0 0 9 35 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 1 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 13 12 1 1 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 1 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 1 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 33 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 35 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 M END $$$$ D01264 -OEChem-05252109542D 63 65 0 1 0 0 0 0 0999 V2000 10.7262 -1.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6044 2.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 1.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.3405 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7262 0.1595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5923 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5023 0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 1.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 -2.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -1.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6928 -1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6994 -2.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3251 -0.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4591 0.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7068 -0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1010 1.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 1.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 1.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5553 -2.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4023 -2.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -1.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2123 -1.3405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -0.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -2.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -0.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -2.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 -0.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -0.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -1.3126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1637 -3.0408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0115 -3.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 -2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -1.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4445 1.5103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -1.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -2.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 12 2 0 0 0 0 3 15 1 0 0 0 0 3 54 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 6 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 1 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 2 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 M END $$$$ D01265 -OEChem-05252109552D 187193 0 1 0 0 0 0 0999 V2000 11.4085 18.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2661 19.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 15.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 14.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6914 23.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 10.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 4.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5838 2.8086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 5.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 9.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 6.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 6.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 9.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 18.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 16.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1072 21.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 14.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0784 17.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 12.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3855 23.4986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 9.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9201 3.4472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 3.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 5.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 17.0404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2124 15.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 7.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2356 5.7085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7335 1.4526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0425 0.5016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 19.5350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5938 19.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 18.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7629 18.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 18.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 17.0404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3151 20.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 16.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 17.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 15.0404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4085 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 15.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9444 16.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6406 16.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8503 21.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 16.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 17.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 12.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6424 22.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 12.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8726 12.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2124 16.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 10.5404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2745 11.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0066 3.0404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1111 2.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 11.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 6.0404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4085 3.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7386 12.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0893 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8726 13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 3.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 8.0404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5893 2.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6047 12.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 4.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 9.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6047 13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 14.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 10.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7074 5.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1406 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9026 6.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 4.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4986 12.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4986 14.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 11.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6765 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3752 4.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4047 12.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4047 13.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4182 3.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3515 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9444 10.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 9.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0646 3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0861 3.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9444 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0425 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1508 19.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 20.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0274 19.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 19.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6789 18.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2613 17.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0729 17.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 16.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 16.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 16.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9455 16.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2090 17.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 17.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5175 21.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8115 14.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2482 14.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7022 15.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 16.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3429 16.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0206 16.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1789 21.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4252 22.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7376 13.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 15.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2606 16.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 17.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6775 17.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8306 17.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 16.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6036 12.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6081 11.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4051 11.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7376 12.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 10.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 24.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9752 23.3071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0390 3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4911 2.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0463 1.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 11.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 11.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0794 5.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4085 2.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8977 1.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6557 1.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 11.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3357 13.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 9.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 7.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2779 7.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0490 4.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 7.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 2.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3304 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9319 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0056 4.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 16.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3463 17.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 15.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7493 15.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7386 14.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 7.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7511 7.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3526 8.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 7.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4914 11.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6192 5.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4914 14.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 11.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 9.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9819 4.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9404 12.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8116 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9404 13.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9412 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4075 10.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 8.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4786 2.8954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8934 2.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6775 6.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5414 9.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 13.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 11.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 12.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 2 0 0 0 0 2 39 2 0 0 0 0 3 43 2 0 0 0 0 4 50 2 0 0 0 0 5 52 2 0 0 0 0 6 57 2 0 0 0 0 7 67 2 0 0 0 0 8 69 2 0 0 0 0 9 72 2 0 0 0 0 10 73 2 0 0 0 0 11 75 2 0 0 0 0 12 80 1 0 0 0 0 12181 1 0 0 0 0 13 97 1 0 0 0 0 13183 1 0 0 0 0 14100 1 0 0 0 0 14187 1 0 0 0 0 15100 2 0 0 0 0 16 33 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 38 17 1 1 0 0 0 17 43 1 0 0 0 0 17111 1 0 0 0 0 18 39 1 0 0 0 0 18 47 1 0 0 0 0 18114 1 0 0 0 0 42 19 1 6 0 0 0 19 50 1 0 0 0 0 19123 1 0 0 0 0 20 45 1 0 0 0 0 20 55 2 0 0 0 0 51 21 1 1 0 0 0 21 57 1 0 0 0 0 21133 1 0 0 0 0 22 52 1 0 0 0 0 22135 1 0 0 0 0 22136 1 0 0 0 0 56 23 1 1 0 0 0 23 73 1 0 0 0 0 23148 1 0 0 0 0 24 58 1 0 0 0 0 24 69 1 0 0 0 0 24151 1 0 0 0 0 62 25 1 1 0 0 0 25 67 1 0 0 0 0 25153 1 0 0 0 0 61 26 1 1 0 0 0 26 72 1 0 0 0 0 26156 1 0 0 0 0 27 55 1 0 0 0 0 27157 1 0 0 0 0 27158 1 0 0 0 0 28 55 1 0 0 0 0 28159 1 0 0 0 0 28160 1 0 0 0 0 68 29 1 6 0 0 0 29 75 1 0 0 0 0 29162 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 30167 1 0 0 0 0 31 81 1 0 0 0 0 31 98 1 0 0 0 0 31175 1 0 0 0 0 32 92 1 0 0 0 0 32 98 2 0 0 0 0 33 34 1 0 0 0 0 33 39 1 1 0 0 0 33101 1 0 0 0 0 34 35 1 0 0 0 0 34102 1 0 0 0 0 34103 1 0 0 0 0 35 36 1 0 0 0 0 35104 1 0 0 0 0 35105 1 0 0 0 0 36106 1 0 0 0 0 36107 1 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 38108 1 0 0 0 0 40 41 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41 45 1 0 0 0 0 41112 1 0 0 0 0 41113 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42115 1 0 0 0 0 44 46 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45118 1 0 0 0 0 45119 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 46120 1 0 0 0 0 47 52 1 0 0 0 0 47121 1 0 0 0 0 47122 1 0 0 0 0 48124 1 0 0 0 0 48125 1 0 0 0 0 48126 1 0 0 0 0 49127 1 0 0 0 0 49128 1 0 0 0 0 49129 1 0 0 0 0 50 51 1 0 0 0 0 51 53 1 0 0 0 0 51130 1 0 0 0 0 53 54 1 0 0 0 0 53131 1 0 0 0 0 53132 1 0 0 0 0 54 63 2 0 0 0 0 54 65 1 0 0 0 0 56 57 1 0 0 0 0 56 60 1 0 0 0 0 56134 1 0 0 0 0 58 59 1 0 0 0 0 58 67 1 1 0 0 0 58137 1 0 0 0 0 59 64 1 0 0 0 0 59138 1 0 0 0 0 59139 1 0 0 0 0 60 78 1 0 0 0 0 60140 1 0 0 0 0 60141 1 0 0 0 0 61 66 1 0 0 0 0 61 75 1 0 0 0 0 61142 1 0 0 0 0 62 71 1 0 0 0 0 62 72 1 0 0 0 0 62143 1 0 0 0 0 63 70 1 0 0 0 0 63146 1 0 0 0 0 64 69 1 0 0 0 0 64144 1 0 0 0 0 64145 1 0 0 0 0 65 77 2 0 0 0 0 65147 1 0 0 0 0 66 74 1 0 0 0 0 66149 1 0 0 0 0 66150 1 0 0 0 0 68 73 1 0 0 0 0 68 80 1 0 0 0 0 68152 1 0 0 0 0 70 76 1 0 0 0 0 70 84 2 0 0 0 0 71 81 1 0 0 0 0 71154 1 0 0 0 0 71155 1 0 0 0 0 74 79 1 0 0 0 0 74 82 2 0 0 0 0 76 77 1 0 0 0 0 76 85 2 0 0 0 0 77161 1 0 0 0 0 78 86 2 0 0 0 0 78 87 1 0 0 0 0 79 83 1 0 0 0 0 79 88 2 0 0 0 0 80163 1 0 0 0 0 80164 1 0 0 0 0 81 92 2 0 0 0 0 82165 1 0 0 0 0 83 91 2 0 0 0 0 84 89 1 0 0 0 0 84166 1 0 0 0 0 85 90 1 0 0 0 0 85168 1 0 0 0 0 86 93 1 0 0 0 0 86169 1 0 0 0 0 87 94 2 0 0 0 0 87170 1 0 0 0 0 88 95 1 0 0 0 0 88171 1 0 0 0 0 89 90 2 0 0 0 0 89172 1 0 0 0 0 90174 1 0 0 0 0 91 96 1 0 0 0 0 91173 1 0 0 0 0 92176 1 0 0 0 0 93 97 2 0 0 0 0 93177 1 0 0 0 0 94 97 1 0 0 0 0 94178 1 0 0 0 0 95 96 2 0 0 0 0 95179 1 0 0 0 0 96180 1 0 0 0 0 98182 1 0 0 0 0 99100 1 0 0 0 0 99184 1 0 0 0 0 99185 1 0 0 0 0 99186 1 0 0 0 0 M END $$$$ D01266 -OEChem-05252109552D 51 54 0 1 0 0 0 0 0999 V2000 2.9946 -1.1362 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 -0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 -4.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 -3.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5922 -1.3926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -0.6840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1490 -2.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 -2.2826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3096 -0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -2.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9906 -3.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5886 -3.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 0.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 -2.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1711 0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 -1.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -2.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -2.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -3.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8923 -3.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -3.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3225 -4.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 5.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 4.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 40 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 12 8 1 6 0 0 0 8 17 1 0 0 0 0 8 39 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 1 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 1 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$ D01267 -OEChem-05252109552D 45 46 0 1 0 0 0 0 0999 V2000 10.0862 4.3851 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8671 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 6.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 8.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 7.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5331 8.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 6.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 5.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6199 5.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6199 9.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 6.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0688 8.4529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0862 4.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 13 2 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$ D01268 -OEChem-05252109552D 55 59 0 1 0 0 0 0 0999 V2000 3.3601 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 5.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 3.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 4.5711 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6897 5.0466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5133 4.5711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3370 5.0466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 4.5711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2392 5.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3370 5.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 5.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 6.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 3.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 4.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 7.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 3.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3473 4.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1948 4.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 7.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 4.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 4.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 6.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 6.0109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 5.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 6.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 5.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 6.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 2.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 2.6695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 3.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 3.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 3.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 4.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 7.7343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3348 3.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 3.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6765 5.4357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 5.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 4.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 4.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 8.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 43 1 0 0 0 0 14 4 1 6 0 0 0 4 50 1 0 0 0 0 5 23 1 0 0 0 0 5 54 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 15 1 0 0 0 0 9 28 1 6 0 0 0 10 14 1 0 0 0 0 10 29 1 1 0 0 0 11 16 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 44 1 0 0 0 0 22 27 2 0 0 0 0 22 45 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$ D01271 -OEChem-05252109552D 47 50 0 1 0 0 0 0 0999 V2000 3.0509 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 5.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1561 3.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 4.4016 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6897 4.8771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5133 4.4016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3370 4.8771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 4.4016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2392 5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 5.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 5.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 6.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 3.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 3.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 4.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0496 4.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 6.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6795 5.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 2.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 5.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 6.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 5.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2638 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 3.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 3.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0503 7.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6897 8.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9984 4.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 2.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1019 3.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 38 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 44 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 1 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 18 1 0 0 0 0 10 27 1 1 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 22 2 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$ D01273 -OEChem-05252109552D 30 32 0 0 0 0 0 0 0999 V2000 2.6691 -0.7594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -2.1606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 -1.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 -0.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.0418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -2.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 0.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 -0.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 2.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 2.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 0.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 2.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 23 1 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ D01274 -OEChem-05252109552D 94 97 0 1 0 0 0 0 0999 V2000 9.0991 0.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7328 1.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 0.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -2.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -3.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -2.3870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 0.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0991 -1.5210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5991 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 -1.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0991 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -3.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -3.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7691 2.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 -1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4091 -2.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0741 -1.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0741 -0.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7191 -1.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6086 1.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7160 1.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8341 1.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 3.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 2.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4091 0.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -2.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 -3.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 3.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 4.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 2.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 3.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 22 2 1 6 0 0 0 25 2 1 6 0 0 0 15 3 1 1 0 0 0 3 63 1 0 0 0 0 19 4 1 6 0 0 0 4 67 1 0 0 0 0 26 5 1 1 0 0 0 28 5 1 1 0 0 0 21 6 1 6 0 0 0 6 71 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 76 1 0 0 0 0 9 27 2 0 0 0 0 29 10 1 1 0 0 0 10 80 1 0 0 0 0 31 11 1 6 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 41 1 0 0 0 0 13 38 2 0 0 0 0 30 14 1 1 0 0 0 14 77 1 0 0 0 0 14 78 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 48 1 1 0 0 0 17 19 1 0 0 0 0 17 27 1 1 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 32 1 0 0 0 0 25 61 1 0 0 0 0 26 34 1 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 68 1 0 0 0 0 32 36 2 0 0 0 0 32 69 1 0 0 0 0 33 35 1 1 0 0 0 33 70 1 0 0 0 0 34 37 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 39 40 2 0 0 0 0 39 83 1 0 0 0 0 40 43 1 0 0 0 0 40 84 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 6 0 0 0 41 85 1 0 0 0 0 42 45 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 46 2 0 0 0 0 43 91 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 47 2 0 0 0 0 45 92 1 0 0 0 0 46 47 1 0 0 0 0 46 93 1 0 0 0 0 47 94 1 0 0 0 0 M END $$$$ D01277 -OEChem-05252109552D 44 44 0 0 0 0 0 0 0999 V2000 2.0000 0.2981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.5243 0.2981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5022 0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5138 -2.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6602 -0.2052 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7884 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2052 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7359 1.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 0.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 1.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0221 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8707 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 1.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7856 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1841 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 1.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 2.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5546 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 3.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 2.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 28 1 0 0 0 0 7 28 2 0 0 0 0 8 29 1 0 0 0 0 9 29 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 21 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 32 1 0 0 0 0 18 24 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 25 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 8 -1 M END $$$$ D01279 -OEChem-05252109552D 35 35 0 0 0 0 0 0 0999 V2000 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0841 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8441 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 M CHG 1 3 1 M END $$$$ D01281 -OEChem-05252109552D 61 64 0 1 0 0 0 0 0999 V2000 6.3301 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -1.0808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8843 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8843 -1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7904 -0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 1.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8772 -2.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3261 0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 25 1 0 0 0 0 2 10 2 0 0 0 0 3 25 2 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 42 1 0 0 0 0 5 9 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 30 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 10 1 0 0 0 0 7 35 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 26 33 2 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 27 34 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END $$$$ D01282 -OEChem-05252109552D 32 33 0 1 0 0 0 0 0999 V2000 3.6750 3.4477 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 4.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 4.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4901 -4.3137 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8913 -3.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.4477 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6750 0.4477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.4002 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5411 1.9477 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5411 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 1.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -2.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 2.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 3.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 3.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 2.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 2.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 1.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.9108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 1.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 1.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 -3.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 15 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$ D01284 -OEChem-05252109552D 85 88 0 0 0 0 0 0 0999 V2000 13.0681 6.6631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 8.8397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3969 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2021 6.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5681 7.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5681 5.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6737 10.7408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 12.2294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 8.3016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 1.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 4.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9844 11.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 10.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3165 12.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 11.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3416 9.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 12.9737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0309 9.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3881 7.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 8.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 7.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0559 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 2.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7668 5.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7453 5.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 3.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 4.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7488 3.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 5.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0595 4.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9342 7.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 6.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5313 11.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 12.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1689 10.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9265 9.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 12.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 13.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 11.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 10.7909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 9.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 10.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1317 13.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2561 13.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 12.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 7.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2839 8.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5494 9.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 7.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 6.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4922 6.0665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1593 5.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5777 2.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 5.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7069 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1629 2.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5842 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6661 4.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3327 7.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 7.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4902 6.1262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3371 6.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1102 7.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6652 6.4731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 45 1 0 0 0 0 2 20 2 0 0 0 0 3 32 1 0 0 0 0 3 73 1 0 0 0 0 4 40 1 0 0 0 0 4 44 1 0 0 0 0 5 40 2 0 0 0 0 6 85 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 27 1 0 0 0 0 12 32 1 0 0 0 0 12 67 1 0 0 0 0 13 28 2 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 30 1 0 0 0 0 23 63 1 0 0 0 0 24 31 2 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 32 2 0 0 0 0 26 27 2 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 33 37 2 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 36 40 1 0 0 0 0 37 70 1 0 0 0 0 38 41 1 0 0 0 0 38 71 1 0 0 0 0 39 42 2 0 0 0 0 39 72 1 0 0 0 0 41 43 2 0 0 0 0 41 74 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 45 46 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 M END $$$$ D01293 -OEChem-05252109552D 145148 0 1 0 0 0 0 0999 V2000 5.7331 7.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.8100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 19.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 17.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 7.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7362 7.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9292 6.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1972 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0632 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 8.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5691 5.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0632 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7643 7.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 6.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9292 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8797 4.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2154 6.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8582 4.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5261 5.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5991 10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 14.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 19.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0664 18.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 5.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 5.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3029 7.7128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9864 8.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4657 4.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 5.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 4.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6295 6.9044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 8.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0509 4.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1328 5.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 12.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 11.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 12.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 13.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 15.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 19.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 19.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8904 18.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4693 19.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 2 54 1 0 0 0 0 3 30 2 0 0 0 0 4 32 2 0 0 0 0 37 5 1 1 0 0 0 5116 1 0 0 0 0 6 38 2 0 0 0 0 7 42 2 0 0 0 0 8 48 2 0 0 0 0 9 53 2 0 0 0 0 55 10 1 1 0 0 0 10133 1 0 0 0 0 11 58 1 0 0 0 0 11136 1 0 0 0 0 12 62 2 0 0 0 0 13 75 1 0 0 0 0 13145 1 0 0 0 0 14 75 2 0 0 0 0 15 25 1 0 0 0 0 15 30 1 0 0 0 0 15 84 1 0 0 0 0 16 26 1 0 0 0 0 16 38 1 0 0 0 0 16 86 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 90 1 0 0 0 0 18 35 1 0 0 0 0 18 48 1 0 0 0 0 18 98 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 99 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20100 1 0 0 0 0 50 21 1 1 0 0 0 21 53 1 0 0 0 0 21112 1 0 0 0 0 45 22 1 6 0 0 0 22 62 1 0 0 0 0 22117 1 0 0 0 0 23 44 1 0 0 0 0 23118 1 0 0 0 0 23119 1 0 0 0 0 61 24 1 1 0 0 0 24134 1 0 0 0 0 24135 1 0 0 0 0 25 27 1 1 0 0 0 25 32 1 0 0 0 0 25 76 1 0 0 0 0 26 28 1 6 0 0 0 26 30 1 0 0 0 0 26 77 1 0 0 0 0 27 29 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 28 31 1 0 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 29 34 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 31 36 1 0 0 0 0 31 40 2 0 0 0 0 33 37 1 0 0 0 0 33 42 1 0 0 0 0 33 85 1 1 0 0 0 34 44 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 1 0 0 0 35 87 1 0 0 0 0 36 41 1 0 0 0 0 36 46 2 0 0 0 0 37 47 1 0 0 0 0 37 91 1 0 0 0 0 39 49 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 41 52 2 0 0 0 0 43 51 1 0 0 0 0 43 53 1 6 0 0 0 43 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 48 1 0 0 0 0 45 54 1 0 0 0 0 45101 1 0 0 0 0 46 56 1 0 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 49 59 2 0 0 0 0 49 60 1 0 0 0 0 50 55 1 0 0 0 0 50 58 1 0 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 52 57 1 0 0 0 0 52109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 63 1 0 0 0 0 55113 1 0 0 0 0 56 57 2 0 0 0 0 56114 1 0 0 0 0 57115 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 59 65 1 0 0 0 0 59122 1 0 0 0 0 60 66 2 0 0 0 0 60123 1 0 0 0 0 61 62 1 0 0 0 0 61 64 1 0 0 0 0 61124 1 0 0 0 0 63125 1 0 0 0 0 63126 1 0 0 0 0 63127 1 0 0 0 0 64 68 1 0 0 0 0 64128 1 0 0 0 0 64129 1 0 0 0 0 65 67 2 0 0 0 0 65130 1 0 0 0 0 66 67 1 0 0 0 0 66131 1 0 0 0 0 67132 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 69137 1 0 0 0 0 70 72 2 0 0 0 0 70138 1 0 0 0 0 71 73 2 0 0 0 0 71139 1 0 0 0 0 72 73 1 0 0 0 0 72140 1 0 0 0 0 73141 1 0 0 0 0 74 75 1 0 0 0 0 74142 1 0 0 0 0 74143 1 0 0 0 0 74144 1 0 0 0 0 M END $$$$ D01296 -OEChem-05252109552D 57 60 0 1 0 0 0 0 0999 V2000 5.5211 2.6844 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 2.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5981 -1.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6369 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 2.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 -1.6913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -1.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -3.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 -4.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 -1.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -2.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -3.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -3.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -3.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 -2.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 -1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -3.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 -4.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 4.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 4.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 2.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2941 3.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 3.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 16 1 0 0 0 0 4 20 2 0 0 0 0 5 17 1 0 0 0 0 5 21 1 0 0 0 0 5 47 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 6 0 0 0 7 16 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 2 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$ D01297 -OEChem-05252109552D 50 51 0 0 0 0 0 0 0999 V2000 4.0683 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 9.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5932 6.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 7.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9299 4.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 7.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 7.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5629 7.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 8.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 8.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 5.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6619 6.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 9.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 4.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 6.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 7.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 6.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 8.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7759 8.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 8.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 6.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3131 7.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5449 8.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 3.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 4.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 6.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 6.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 5.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 5.8485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7206 9.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 9.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 4.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 4.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 6.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 6.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 9.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 9.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 8.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9996 5.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 6.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7660 6.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 8.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 3.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 2.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 3.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 5.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 4.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7538 4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 26 1 0 0 0 0 3 49 1 0 0 0 0 4 26 2 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 9 19 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 23 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 26 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M END $$$$ D01298 -OEChem-05252109552D 78 82 0 1 0 0 0 0 0999 V2000 6.7227 0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 -1.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7877 3.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8329 4.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4931 -1.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 0.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 0.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 -3.7578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3595 1.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 0.6144 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2999 0.1805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3990 0.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9101 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7138 -0.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1544 0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0144 -0.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1639 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1764 1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4234 1.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 -0.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7999 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1442 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4344 3.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4056 3.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 -0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 -0.6330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3151 -2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9886 -1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1300 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -2.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9314 -2.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0068 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 0.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 -4.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -2.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 1.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3609 -0.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 -1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5078 0.4788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7606 0.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3072 0.9340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0306 -1.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6327 -0.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6113 -1.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 1.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 2.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3585 2.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 2.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7632 1.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8265 3.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 -3.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -3.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8274 -2.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1216 -2.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6081 -1.5984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7333 4.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2161 4.0592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5244 -0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -1.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -2.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.7366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0644 -3.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 -2.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8144 -4.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9609 -4.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1993 -2.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3899 -1.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -2.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 0.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 -0.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -0.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 27 1 0 0 0 0 2 20 1 0 0 0 0 2 29 1 0 0 0 0 3 25 1 0 0 0 0 3 31 1 0 0 0 0 4 26 1 0 0 0 0 4 31 1 0 0 0 0 5 27 2 0 0 0 0 28 6 1 6 0 0 0 6 66 1 0 0 0 0 7 36 1 0 0 0 0 7 39 1 0 0 0 0 8 35 1 0 0 0 0 8 75 1 0 0 0 0 9 36 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 40 1 6 0 0 0 13 16 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 20 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 36 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 M END $$$$ D01299 -OEChem-05252109552D 80 83 0 1 0 0 0 0 0999 V2000 6.0678 1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 2.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -1.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2068 0.6461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3389 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3796 -2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0709 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9389 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8068 0.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4355 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4422 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 2.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -2.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.1899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7356 1.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9385 1.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 -2.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -1.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 -1.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 -2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2092 0.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4676 1.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6706 1.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4989 -0.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3449 -0.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1147 0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9736 1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7435 2.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8974 1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9041 0.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1343 -0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9803 -0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 48 1 0 0 0 0 2 18 2 0 0 0 0 3 20 1 0 0 0 0 3 55 1 0 0 0 0 4 23 1 0 0 0 0 4 57 1 0 0 0 0 5 21 2 0 0 0 0 6 27 1 0 0 0 0 6 60 1 0 0 0 0 7 30 2 0 0 0 0 16 8 1 6 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 26 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 30 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 33 1 0 0 0 0 11 36 1 0 0 0 0 11 69 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 6 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 26 32 1 0 0 0 0 27 31 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 56 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 40 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 M END $$$$ D01302 -OEChem-05252109552D 37 39 0 0 0 0 0 0 0999 V2000 2.0000 -1.1791 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1791 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1791 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1847 3.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1737 3.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 1.2505 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7560 2.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1791 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5686 -0.1846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -1.5858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 2.0595 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 0.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 1.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 2.6594 0.0000 C 0 0 0 0 0 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0 70167 1 0 0 0 0 71 78 1 0 0 0 0 71 79 2 0 0 0 0 72 76 1 0 0 0 0 72168 1 0 0 0 0 73 77 2 0 0 0 0 73169 1 0 0 0 0 74172 1 0 0 0 0 74173 1 0 0 0 0 74174 1 0 0 0 0 75 80 1 0 0 0 0 75 82 1 0 0 0 0 75175 1 0 0 0 0 76 81 2 0 0 0 0 76178 1 0 0 0 0 77 81 1 0 0 0 0 77179 1 0 0 0 0 78 83 2 0 0 0 0 79 85 1 0 0 0 0 80 88 1 0 0 0 0 80180 1 1 0 0 0 81 87 1 0 0 0 0 82 89 2 0 0 0 0 82 90 1 0 0 0 0 83 84 1 0 0 0 0 83181 1 0 0 0 0 84 85 2 0 0 0 0 84 86 1 0 0 0 0 85182 1 0 0 0 0 86 96 1 0 0 0 0 86184 1 6 0 0 0 87 97 2 0 0 0 0 87 98 1 0 0 0 0 89 92 1 0 0 0 0 89185 1 0 0 0 0 90 93 2 0 0 0 0 90186 1 0 0 0 0 91 92 2 0 0 0 0 91 93 1 0 0 0 0 93187 1 0 0 0 0 94 95 1 0 0 0 0 95101 1 0 0 0 0 95188 1 1 0 0 0 97104 1 0 0 0 0 97192 1 0 0 0 0 98105 2 0 0 0 0 98193 1 0 0 0 0 99102 1 0 0 0 0 99114 1 6 0 0 0 99194 1 0 0 0 0 100110 2 0 0 0 0 100111 1 0 0 0 0 101106 2 0 0 0 0 101112 1 0 0 0 0 102107 2 0 0 0 0 102116 1 0 0 0 0 103109 1 0 0 0 0 104113 2 0 0 0 0 104195 1 0 0 0 0 105113 1 0 0 0 0 105196 1 0 0 0 0 106108 1 0 0 0 0 106197 1 0 0 0 0 107108 1 0 0 0 0 107123 1 0 0 0 0 108119 2 0 0 0 0 109124 1 1 0 0 0 109198 1 0 0 0 0 110117 1 0 0 0 0 111118 2 0 0 0 0 111199 1 0 0 0 0 112121 2 0 0 0 0 112200 1 0 0 0 0 115117 2 0 0 0 0 115118 1 0 0 0 0 115120 1 0 0 0 0 116126 2 0 0 0 0 116201 1 0 0 0 0 117202 1 0 0 0 0 118203 1 0 0 0 0 119121 1 0 0 0 0 120122 1 0 0 0 0 120204 1 0 0 0 0 121205 1 0 0 0 0 122125 1 0 0 0 0 122206 1 0 0 0 0 123127 2 0 0 0 0 124128 1 0 0 0 0 124207 1 0 0 0 0 124208 1 0 0 0 0 126127 1 0 0 0 0 127210 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130216 1 0 0 0 0 131132 1 0 0 0 0 131218 1 0 0 0 0 131219 1 0 0 0 0 132133 1 0 0 0 0 132134 1 0 0 0 0 132222 1 0 0 0 0 133224 1 0 0 0 0 133225 1 0 0 0 0 133226 1 0 0 0 0 134227 1 0 0 0 0 134228 1 0 0 0 0 134229 1 0 0 0 0 135230 1 0 0 0 0 135231 1 0 0 0 0 135232 1 0 0 0 0 M END $$$$ D01304 -OEChem-05252109552D 27 29 0 1 0 0 0 0 0999 V2000 4.9344 0.0823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 1.8776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 2.3776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 -3.1867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 1.5686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0084 2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 3.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 3.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -0.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9838 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 2.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 1.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8484 3.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 3.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6861 0.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6861 3.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 -1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -0.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 3 11 1 0 0 0 0 4 17 3 0 0 0 0 5 6 1 0 0 0 0 5 9 1 1 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 M END $$$$ D01306 -OEChem-05252109552D 47 50 0 1 0 0 0 0 0999 V2000 7.7809 0.0781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 -1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -3.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -1.2309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 0.4818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 2.3767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -0.2309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3687 -0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 -1.5399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8216 -0.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8216 -1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0899 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 1.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 2.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -1.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 0.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 0.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 -1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -1.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 1.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 -3.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 3.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 1.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 4.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 3.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 39 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 9 20 2 0 0 0 0 10 13 1 0 0 0 0 10 29 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$ D01307 -OEChem-05252109552D 44 45 0 0 0 0 0 0 0999 V2000 5.6720 3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 10.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 2.7976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2700 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0496 4.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2406 3.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7187 3.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8715 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1785 5.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7798 2.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0614 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3353 3.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 4 30 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 12 1 0 0 0 0 6 44 1 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 11 19 2 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 17 33 1 0 0 0 0 18 24 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 41 1 0 0 0 0 28 30 2 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 29 43 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$ D01309 -OEChem-05252109552D 43 44 0 0 0 0 0 0 0999 V2000 2.5369 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -3.0398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -1.6386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 -3.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 3.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0261 -3.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7841 -3.4999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 -3.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2193 -2.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1326 -1.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 43 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 2 40 1 0 0 0 0 3 15 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END $$$$ D01310 -OEChem-05252109552D 135137 0 1 0 0 0 0 0999 V2000 11.6146 1.3491 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 1.8491 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0485 2.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 6.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 -4.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -3.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9447 -3.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2845 -0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0787 0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 4.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -6.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4088 -3.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 2.8491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 3.7970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 0.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 5.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 -1.6509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 -3.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6146 -2.6509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 -1.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 -0.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4184 -1.6509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 6.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -6.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2075 3.4369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5165 4.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5165 4.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8255 3.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 3.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 1.3491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7212 4.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6723 5.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8802 6.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 5.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -1.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0046 -1.7112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3466 -2.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8312 6.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 6.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -3.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0198 -1.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 -3.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 -2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6474 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7486 -4.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0787 -1.6509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0787 -2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 5.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6778 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 -4.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9447 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3466 1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3466 0.3491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2845 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8107 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 5.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 -5.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6768 -1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8107 -2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6768 -3.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 -2.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1105 2.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5813 5.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9101 4.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 4.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4517 5.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 2.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 3.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 1.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 3.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 4.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7586 4.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2919 5.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1471 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3409 5.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4195 0.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -1.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7926 -1.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9978 -2.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0228 5.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4209 6.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6396 6.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 7.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 7.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 6.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2855 -3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 -1.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0198 -2.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 4.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4195 -1.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -2.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 -2.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2127 -3.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6146 -2.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1224 -1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0459 -0.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1725 -0.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9606 -4.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 -4.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0787 -1.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 6.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 6.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2604 -0.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4657 -0.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0952 -0.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6705 -4.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2720 -4.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3432 -0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5462 -0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9572 1.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5587 1.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8097 0.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9026 -1.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9437 0.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 -0.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -1.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4184 -2.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6768 -0.5309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2738 -2.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 6.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 -6.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4796 -5.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0797 -1.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6768 -3.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9457 -2.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 2 58 1 0 0 0 0 3 31 2 0 0 0 0 4 32 2 0 0 0 0 5 38 2 0 0 0 0 6 39 2 0 0 0 0 7 48 2 0 0 0 0 8 49 2 0 0 0 0 9 53 2 0 0 0 0 10 60 2 0 0 0 0 11 61 2 0 0 0 0 12 63 2 0 0 0 0 13 64 2 0 0 0 0 14 69 1 0 0 0 0 14135 1 0 0 0 0 15 27 1 0 0 0 0 15 30 1 0 0 0 0 15 32 1 0 0 0 0 16 31 1 0 0 0 0 34 16 1 6 0 0 0 16 78 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 17 85 1 0 0 0 0 18 38 1 0 0 0 0 18 54 1 0 0 0 0 18 98 1 0 0 0 0 19 40 1 0 0 0 0 19 49 1 0 0 0 0 19 99 1 0 0 0 0 20 42 1 0 0 0 0 20 53 1 0 0 0 0 20102 1 0 0 0 0 21 45 1 0 0 0 0 21 48 1 0 0 0 0 21103 1 0 0 0 0 22 52 1 0 0 0 0 22 61 1 0 0 0 0 22122 1 0 0 0 0 59 23 1 1 0 0 0 23123 1 0 0 0 0 23124 1 0 0 0 0 24 60 1 0 0 0 0 24125 1 0 0 0 0 24126 1 0 0 0 0 25 63 1 0 0 0 0 25129 1 0 0 0 0 25130 1 0 0 0 0 26 64 1 0 0 0 0 26131 1 0 0 0 0 26132 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 6 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 33 32 1 6 0 0 0 33 36 1 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 37 84 1 0 0 0 0 39 40 1 0 0 0 0 40 47 1 1 0 0 0 40 86 1 0 0 0 0 41 42 1 0 0 0 0 41 46 1 0 0 0 0 41 50 1 6 0 0 0 41 87 1 0 0 0 0 42 48 1 0 0 0 0 42 88 1 1 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 49 1 0 0 0 0 45 51 1 1 0 0 0 45 95 1 0 0 0 0 46 55 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 47 60 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51 56 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 1 0 0 0 52109 1 0 0 0 0 54 63 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55112 1 0 0 0 0 55113 1 0 0 0 0 55114 1 0 0 0 0 56 64 1 0 0 0 0 56115 1 0 0 0 0 56116 1 0 0 0 0 57 62 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 58 59 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 59 61 1 0 0 0 0 59121 1 0 0 0 0 62 65 2 0 0 0 0 62 66 1 0 0 0 0 65 67 1 0 0 0 0 65127 1 0 0 0 0 66 68 2 0 0 0 0 66128 1 0 0 0 0 67 69 2 0 0 0 0 67133 1 0 0 0 0 68 69 1 0 0 0 0 68134 1 0 0 0 0 M END $$$$ D01311 -OEChem-05252109552D 54 57 0 1 0 0 0 0 0999 V2000 6.9334 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8240 -5.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5564 -3.8502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 0.4928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 0.4928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 5.8025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 -2.8997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8293 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 -1.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2995 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5349 -4.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8455 -5.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 3.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 2.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 3.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 4.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8082 -3.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 -2.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 -1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7831 -0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9947 -0.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1423 -4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1487 -3.9691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5554 -3.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2317 -5.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8250 -5.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0166 -5.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 3.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 1.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 4.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 5.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 5.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 5.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 3.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 3.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 19 1 0 0 0 0 2 44 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 8 4 1 6 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 18 1 0 0 0 0 5 20 2 0 0 0 0 6 18 2 0 0 0 0 7 30 3 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 26 2 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 30 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$ D01312 -OEChem-05252109552D 48 51 0 0 0 0 0 0 0999 V2000 8.6605 2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 -0.2329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -1.7604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1605 -2.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1605 -2.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5266 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 -0.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5266 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9006 1.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -1.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9945 1.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -0.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -1.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2594 -1.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 -1.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0529 -2.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2682 -2.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 -1.8869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0635 -0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9077 2.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2922 -1.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 -1.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5321 -1.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 1.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6724 -1.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7955 1.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 0.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 -0.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.7695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 -3.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -2.7647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 21 1 0 0 0 0 2 41 1 0 0 0 0 3 21 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 23 1 0 0 0 0 5 25 2 0 0 0 0 6 25 1 0 0 0 0 6 27 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$ D01313 -OEChem-05252109552D 113119 0 1 0 0 0 0 0999 V2000 5.1483 -5.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3178 -4.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 -3.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4821 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -3.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5446 -0.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 0.4787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6038 -5.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4245 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7693 0.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 1.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 1.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 5.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8110 3.3765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -3.2398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3274 -4.2703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2517 -2.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5059 -4.9108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0994 -2.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4821 -1.9332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4156 -3.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5436 -4.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0994 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -5.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1552 -1.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1755 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 -2.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.0094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8804 -0.2284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9172 0.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2102 -0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6897 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6259 -5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0019 -3.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -5.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8034 0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 1.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 -4.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0358 2.1518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0963 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5717 -3.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 3.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1453 -4.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7266 -5.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7228 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 3.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4500 3.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2253 4.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5522 4.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 4.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9324 5.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8983 5.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 5.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3616 5.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 4.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6545 5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9608 -3.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9897 -5.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -2.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -3.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 -4.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4078 -5.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3585 -5.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4645 -4.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 -1.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7099 -0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -1.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 -3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 -0.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -0.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -0.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.7003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 0.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 -0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 -0.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7921 -1.3963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 1.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 1.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 0.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -5.4107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -6.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -6.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1963 1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5347 1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 1.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8337 -3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5353 -4.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6165 3.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7630 -4.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4646 -6.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1622 1.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0784 -6.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 2.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6105 2.9671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6264 4.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 4.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7719 6.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 5.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 6.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0397 3.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 6.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4749 3.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 5.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 17 2 1 1 0 0 0 2 36 1 0 0 0 0 20 3 1 1 0 0 0 3 37 1 0 0 0 0 21 4 1 6 0 0 0 4 84 1 0 0 0 0 22 5 1 6 0 0 0 5 85 1 0 0 0 0 30 6 1 6 0 0 0 6 39 1 0 0 0 0 7 26 2 0 0 0 0 31 8 1 1 0 0 0 8 40 1 0 0 0 0 9 36 2 0 0 0 0 10 37 2 0 0 0 0 11 39 2 0 0 0 0 12 40 2 0 0 0 0 42 13 1 1 0 0 0 13101 1 0 0 0 0 14 53 2 0 0 0 0 46 15 1 1 0 0 0 15 53 1 0 0 0 0 15103 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 1 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 29 1 6 0 0 0 19 23 1 0 0 0 0 19 64 1 1 0 0 0 20 21 1 0 0 0 0 20 65 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 28 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 31 32 1 0 0 0 0 31 77 1 0 0 0 0 32 35 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 38 1 0 0 0 0 37 41 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 47 1 0 0 0 0 44 96 1 0 0 0 0 45 48 2 0 0 0 0 45 97 1 0 0 0 0 46 50 1 0 0 0 0 46 98 1 0 0 0 0 47 49 2 0 0 0 0 47 99 1 0 0 0 0 48 49 1 0 0 0 0 48100 1 0 0 0 0 49102 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 51 54 1 0 0 0 0 51104 1 0 0 0 0 52 55 2 0 0 0 0 52105 1 0 0 0 0 53 56 1 0 0 0 0 54 57 2 0 0 0 0 54106 1 0 0 0 0 55 57 1 0 0 0 0 55107 1 0 0 0 0 56 58 2 0 0 0 0 56 59 1 0 0 0 0 57108 1 0 0 0 0 58 60 1 0 0 0 0 58109 1 0 0 0 0 59 61 2 0 0 0 0 59110 1 0 0 0 0 60 62 2 0 0 0 0 60111 1 0 0 0 0 61 62 1 0 0 0 0 61112 1 0 0 0 0 62113 1 0 0 0 0 M END $$$$ D01314 -OEChem-05252109552D 24 21 0 1 0 0 0 0 0999 V2000 5.2320 -0.3021 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 -1.3021 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.7320 -1.1681 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4361 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.8660 -1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -1.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -1.1681 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -0.4361 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0584 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 1.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0397 1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4406 -0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6223 0.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8661 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 2.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 1.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 10 2 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 11 2 0 0 0 0 2 13 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 M CHG 4 3 1 4 1 8 -1 9 -1 M END $$$$ D01318 -OEChem-05252109552D 175180 0 1 0 0 0 0 0999 V2000 4.3100 2.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 5.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 6.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 6.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 7.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 7.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 7.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8022 7.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 22.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 17.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7365 22.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7365 18.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 23.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 19.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 21.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 16.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 4.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 6.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 4.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 1.4766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 8.7835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 7.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 9.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 11.1154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 0.6106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2041 12.2835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3346 21.3807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3346 16.5717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 4.7835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4049 4.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 3.2087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7987 3.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 4.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 4.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7400 3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 7.2835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 2.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 6.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4098 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 9.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3381 5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 8.7835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0079 10.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 8.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 7.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 8.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 9.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2041 6.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 1.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 2.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 10.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 10.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 9.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 8.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 11.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 10.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2041 7.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0701 5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0603 11.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 11.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7067 12.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0701 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9361 6.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9361 7.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 12.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 13.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 13.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6682 7.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5342 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4002 7.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5342 8.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2663 7.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4002 9.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2663 8.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3346 22.3807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3346 17.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4686 22.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4686 18.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 22.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2006 18.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 22.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6026 17.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3649 5.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 4.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 3.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 2.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7978 2.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 3.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 3.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1294 3.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 2.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7389 5.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1429 4.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 7.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0090 6.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 9.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 61 68 1 0 0 0 0 61129 1 0 0 0 0 61130 1 0 0 0 0 62 66 2 0 0 0 0 62131 1 0 0 0 0 63 66 1 0 0 0 0 63132 1 0 0 0 0 64133 1 0 0 0 0 65134 1 0 0 0 0 65135 1 0 0 0 0 66136 1 0 0 0 0 67 72 1 0 0 0 0 67 74 2 0 0 0 0 68 73 1 0 0 0 0 68137 1 0 0 0 0 68138 1 0 0 0 0 69 75 1 0 0 0 0 69139 1 0 0 0 0 70 76 2 0 0 0 0 70140 1 0 0 0 0 71141 1 0 0 0 0 72 78 2 0 0 0 0 73143 1 0 0 0 0 73144 1 0 0 0 0 74 79 1 0 0 0 0 74145 1 0 0 0 0 75 77 2 0 0 0 0 75146 1 0 0 0 0 76 77 1 0 0 0 0 76147 1 0 0 0 0 78 80 1 0 0 0 0 78150 1 0 0 0 0 79 80 2 0 0 0 0 79151 1 0 0 0 0 80152 1 0 0 0 0 81 82 1 0 0 0 0 81155 1 0 0 0 0 81156 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 83 85 1 0 0 0 0 83157 1 0 0 0 0 84 86 2 0 0 0 0 84158 1 0 0 0 0 85 87 2 0 0 0 0 85159 1 0 0 0 0 86 87 1 0 0 0 0 86160 1 0 0 0 0 87161 1 0 0 0 0 88 90 1 0 0 0 0 88 92 1 0 0 0 0 88162 1 0 0 0 0 89 91 1 0 0 0 0 89 93 1 0 0 0 0 89163 1 0 0 0 0 90 94 1 0 0 0 0 90164 1 0 0 0 0 90165 1 0 0 0 0 91 95 1 0 0 0 0 91166 1 0 0 0 0 91167 1 0 0 0 0 M END $$$$ D01319 -OEChem-05252109552D 125120 0 1 0 0 0 0 0999 V2000 12.6002 1.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 9.1360 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 12.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 12.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4662 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8681 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 12.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 12.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 12.3600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 12.8600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1993 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0653 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3332 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9313 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4672 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7973 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6012 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6634 12.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 7.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 13.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 14.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 5.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 5.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 21.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 14.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 21.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 22.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 21.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 22.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 13.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 7.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 8.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3011 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 15.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 20.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 24.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 8.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3011 11.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 16.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 19.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 24.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 13.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 12.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 12.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 13.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 14.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 11.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 11.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 14.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 12.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8007 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5978 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4638 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6668 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7318 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9347 13.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5328 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3298 11.8851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4672 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7973 13.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6012 13.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0643 12.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6634 11.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2003 12.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6302 14.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0332 12.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 14.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 21.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 22.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 21.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 22.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 13.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 8.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 13.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4962 16.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 19.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 24.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 8.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 11.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 16.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 16.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 19.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 18.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 24.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 25.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 58 1 0 0 0 0 3 59 1 0 0 0 0 14 4 1 6 0 0 0 4 72 1 0 0 0 0 15 5 1 6 0 0 0 5 73 1 0 0 0 0 16 6 1 1 0 0 0 6 74 1 0 0 0 0 17 7 1 6 0 0 0 7 75 1 0 0 0 0 8 18 1 0 0 0 0 8 76 1 0 0 0 0 9 19 1 0 0 0 0 9 77 1 0 0 0 0 10 60 1 0 0 0 0 11 61 1 0 0 0 0 12 60 2 0 0 0 0 13 61 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 64 1 0 0 0 0 15 17 1 0 0 0 0 15 65 1 0 0 0 0 16 18 1 0 0 0 0 16 66 1 0 0 0 0 17 19 1 0 0 0 0 17 67 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 78 1 0 0 0 0 20 79 1 0 0 0 0 21 23 1 0 0 0 0 21 80 1 0 0 0 0 21 81 1 0 0 0 0 22 24 1 0 0 0 0 22 82 1 0 0 0 0 22 83 1 0 0 0 0 23 25 1 0 0 0 0 23 84 1 0 0 0 0 23 85 1 0 0 0 0 24 26 2 0 0 0 0 24 86 1 0 0 0 0 25 27 2 0 0 0 0 25 87 1 0 0 0 0 26 88 1 0 0 0 0 26 89 1 0 0 0 0 27 90 1 0 0 0 0 27 91 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 35 1 0 0 0 0 30 92 1 0 0 0 0 31 36 1 0 0 0 0 31 93 1 0 0 0 0 32 34 2 0 0 0 0 32 39 1 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 40 2 0 0 0 0 33 49 1 0 0 0 0 34 94 1 0 0 0 0 35 36 2 0 0 0 0 35 95 1 0 0 0 0 36 96 1 0 0 0 0 37 41 2 0 0 0 0 37 43 1 0 0 0 0 37 50 1 0 0 0 0 38 42 2 0 0 0 0 38 44 1 0 0 0 0 38 51 1 0 0 0 0 39 45 2 0 0 0 0 39 97 1 0 0 0 0 40 45 1 0 0 0 0 40 98 1 0 0 0 0 41 42 1 0 0 0 0 41 99 1 0 0 0 0 42100 1 0 0 0 0 43 44 2 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 45103 1 0 0 0 0 46 52 2 0 0 0 0 46104 1 0 0 0 0 47 53 2 0 0 0 0 47105 1 0 0 0 0 48 54 2 0 0 0 0 48106 1 0 0 0 0 49 55 2 0 0 0 0 49107 1 0 0 0 0 50 56 2 0 0 0 0 50108 1 0 0 0 0 51 57 2 0 0 0 0 51109 1 0 0 0 0 52110 1 0 0 0 0 52111 1 0 0 0 0 53112 1 0 0 0 0 53113 1 0 0 0 0 54114 1 0 0 0 0 54115 1 0 0 0 0 55116 1 0 0 0 0 55117 1 0 0 0 0 56118 1 0 0 0 0 56119 1 0 0 0 0 57120 1 0 0 0 0 57121 1 0 0 0 0 58 60 1 0 0 0 0 58 62 2 0 0 0 0 59 61 1 0 0 0 0 59 63 2 0 0 0 0 62122 1 0 0 0 0 62123 1 0 0 0 0 63124 1 0 0 0 0 63125 1 0 0 0 0 M CHG 3 1 2 10 -1 11 -1 M END $$$$ D01322 -OEChem-05252109552D 35 35 0 0 0 0 0 0 0999 V2000 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 M END $$$$ D01326 -OEChem-05252109552D 52 51 0 1 0 0 0 0 0999 V2000 3.7320 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 17 2 0 0 0 0 3 19 1 0 0 0 0 3 49 1 0 0 0 0 4 19 2 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 16 7 1 6 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 39 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 M END $$$$ D01328 -OEChem-05252109552D 62 66 0 0 0 0 0 0 0999 V2000 9.1876 1.9763 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9081 -1.0304 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2740 1.4971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6440 -0.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9235 2.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 -0.0307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 -0.0237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -2.8769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -3.0722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -1.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 -1.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 0.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0479 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 1.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 -0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7799 0.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9197 1.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7837 1.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5119 0.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7915 3.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -2.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -2.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 -1.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7835 -0.9639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -0.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -1.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.8167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -3.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 0.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 1.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8963 0.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 -0.1257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1164 1.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4893 2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 1.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3219 1.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8199 -0.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0501 0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2040 0.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0994 2.9281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3296 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4835 4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 22 2 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 32 1 0 0 0 0 6 35 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 9 27 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 45 1 0 0 0 0 11 18 2 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 26 2 0 0 0 0 16 19 2 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 20 23 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END $$$$ D01329 -OEChem-05252109552D 21 22 0 1 0 0 0 0 0999 V2000 2.8954 0.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4645 0.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 1.5817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.3907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 0.0429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7044 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 1.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 -0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 -2.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 7 2 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 M END $$$$ D01332 -OEChem-05252109552D 75 74 0 0 0 0 0 0 0999 V2000 10.1060 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.3310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 7.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 11.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6060 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 9.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 7.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 16.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 5.6510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 16.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 8.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 8.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 11.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 6.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 12.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 13.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 13.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 14.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 6.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 14.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 14.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 15.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0590 10.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 9.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4831 8.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8816 8.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 9.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 10.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 8.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7945 8.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 11.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 11.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 7.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 12.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 5.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 6.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 14.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 14.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 16.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 15.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3706 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5735 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 16.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2366 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 7.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 7.8561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7030 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 8.5210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 36 1 0 0 0 0 2 6 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 37 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 72 1 0 0 0 0 6 73 1 0 0 0 0 7 38 1 0 0 0 0 7 74 1 0 0 0 0 8 39 1 0 0 0 0 8 75 1 0 0 0 0 13 34 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 35 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 34 2 0 0 0 0 15 66 1 0 0 0 0 16 35 2 0 0 0 0 16 67 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 26 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 30 1 0 0 0 0 24 50 1 0 0 0 0 25 31 1 0 0 0 0 25 51 1 0 0 0 0 26 32 2 0 0 0 0 26 52 1 0 0 0 0 27 33 2 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 36 38 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 M END $$$$ D01333 -OEChem-05252109552D 34 34 0 1 0 0 0 0 0999 V2000 5.4641 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.6340 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 1.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8147 0.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 1.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 2.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 3.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 15 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 M END $$$$ D01335 -OEChem-05252109552D 35 37 0 1 0 0 0 0 0999 V2000 6.3888 -0.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -3.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 -2.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 3.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 0.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 1.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -0.6282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8483 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4335 -2.2463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3855 -1.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1926 -2.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 2.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4384 2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8786 -0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3889 -1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 -1.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8704 -2.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 -1.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5376 -3.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 1.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 2.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5347 -3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6079 -2.4931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 3.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 11 2 1 1 0 0 0 2 29 1 0 0 0 0 3 13 1 0 0 0 0 3 33 1 0 0 0 0 17 4 1 1 0 0 0 4 35 1 0 0 0 0 9 5 1 6 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 30 1 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 6 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$ D01336 -OEChem-05252109552D 51 51 0 1 0 0 0 0 0999 V2000 7.6751 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5961 -2.8799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 -1.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 3.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 1.8815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.1027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.2574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -1.5446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 0.3815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7240 -0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1060 -0.2063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9150 1.3815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4150 -1.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4150 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0028 -1.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6471 3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5131 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -0.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6724 0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 0.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 -0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9150 2.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0274 -1.0603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8086 -1.2862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7810 1.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 1.5715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 3.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1705 2.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 0.9066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1358 -0.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9571 2.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 3.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8231 1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 2.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2031 2.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 3.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 3.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 2.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 0.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2094 -1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 6 0 0 0 1 37 1 0 0 0 0 2 18 1 0 0 0 0 2 44 1 0 0 0 0 3 18 2 0 0 0 0 4 21 2 0 0 0 0 12 5 1 1 0 0 0 5 21 1 0 0 0 0 5 32 1 0 0 0 0 11 6 1 1 0 0 0 6 22 2 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 22 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 1 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 M END $$$$ D01337 -OEChem-05252109552D 46 48 0 1 0 0 0 0 0999 V2000 3.8660 -5.1830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -5.1830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3660 -2.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 -3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 -2.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -3.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 0.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6215 0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5611 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 4.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 3.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 5.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 4.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 4 12 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$ D01339 -OEChem-05252109552D 44 47 0 0 0 0 0 0 0999 V2000 2.0000 -0.9700 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.9722 2.5918 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7874 3.3640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1999 1.4070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.7747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7690 0.6101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 1.2288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 1.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 1.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 2.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 2.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0152 2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9937 2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 0.4049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -0.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 1.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 2.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4658 1.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1830 0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9547 3.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5334 0.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5399 3.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 40 1 0 0 0 0 7 14 1 0 0 0 0 7 24 2 0 0 0 0 8 18 1 0 0 0 0 8 19 2 0 0 0 0 9 26 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 15 32 1 0 0 0 0 16 23 2 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 M END $$$$ D01342 -OEChem-05252109552D 49 50 0 0 0 0 0 0 0999 V2000 3.1329 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 4.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6329 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 7.5230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 9.6108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2077 9.6108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 8.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 9.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 10.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 10.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 8.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 6.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 7.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 9.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 6.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 9.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 8.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 9.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 5.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1307 5.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 9.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2668 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 8.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1866 7.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9635 11.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 10.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5051 10.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 11.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 9.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8617 6.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 6.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 7.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 10.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 4.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 8.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 9.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 10.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5326 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 45 1 0 0 0 0 3 49 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 22 1 0 0 0 0 17 36 1 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END $$$$ D01345 -OEChem-05252109552D 46 47 0 0 0 0 0 0 0999 V2000 2.8660 -5.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 2 0 0 0 0 17 44 1 0 0 0 0 18 20 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 M END $$$$ D01346 -OEChem-05252109552D 89 91 0 1 0 0 0 0 0999 V2000 8.5991 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 4.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 -0.3835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 0.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -3.8476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.4826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 1.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 0.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 5.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 4.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 4.9826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 3.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8313 -0.3834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6972 5.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8312 -0.3835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 6.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8313 -2.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -5.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 0.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 1.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 0.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 5.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 3.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 4.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4091 -0.9204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1412 0.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 5.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0072 6.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 6.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 6.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4512 -0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5072 5.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8061 -1.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8061 -0.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 7.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 7.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 6.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1413 -2.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9512 0.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0212 1.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8562 -2.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8563 -3.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4512 -3.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8562 -4.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8562 -5.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 -5.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3062 -5.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -6.9826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 23 1 1 6 0 0 0 20 2 1 6 0 0 0 28 2 1 6 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 19 4 1 1 0 0 0 4 58 1 0 0 0 0 25 5 1 6 0 0 0 5 64 1 0 0 0 0 26 6 1 1 0 0 0 6 65 1 0 0 0 0 7 28 1 0 0 0 0 7 35 1 0 0 0 0 8 31 2 0 0 0 0 33 9 1 6 0 0 0 9 79 1 0 0 0 0 10 41 1 0 0 0 0 10 89 1 0 0 0 0 18 11 1 1 0 0 0 11 31 1 0 0 0 0 11 52 1 0 0 0 0 21 12 1 1 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 24 13 1 1 0 0 0 13 34 1 0 0 0 0 13 62 1 0 0 0 0 30 14 1 6 0 0 0 14 73 1 0 0 0 0 14 74 1 0 0 0 0 15 38 1 0 0 0 0 15 40 1 0 0 0 0 15 82 1 0 0 0 0 16 39 1 0 0 0 0 16 83 1 0 0 0 0 16 84 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 32 36 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 37 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 72 1 0 0 0 0 37 39 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 M END $$$$ D01347 -OEChem-05252109552D 90 92 0 1 0 0 0 0 0999 V2000 10.1200 -1.7320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1200 1.7320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.1200 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 4.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6200 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1200 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 -2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0949 -2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 2.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 2.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5374 -1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 1.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0123 2.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 -0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0374 -0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6450 -3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 3.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5123 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7277 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0374 -4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7277 -4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2026 4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5123 4.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7026 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0949 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0949 -0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9300 -4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2277 -2.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5374 -3.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0123 2.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6451 -1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6451 -2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0123 -4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7026 -3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2400 -2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 27 1 0 0 0 0 3 65 1 0 0 0 0 4 20 1 0 0 0 0 4 28 1 0 0 0 0 4 66 1 0 0 0 0 5 21 1 0 0 0 0 5 31 1 0 0 0 0 5 75 1 0 0 0 0 6 22 1 0 0 0 0 6 32 1 0 0 0 0 6 76 1 0 0 0 0 7 33 1 0 0 0 0 7 35 1 0 0 0 0 7 89 1 0 0 0 0 8 34 1 0 0 0 0 8 36 1 0 0 0 0 8 90 1 0 0 0 0 9 15 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 16 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 17 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 19 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 21 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 22 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 23 2 0 0 0 0 17 25 1 0 0 0 0 18 24 2 0 0 0 0 18 26 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 2 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 27 29 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 30 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 33 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 34 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 35 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 36 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 M END $$$$ D01348 -OEChem-05252109562D 52 56 0 1 0 0 0 0 0999 V2000 5.7497 3.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8197 1.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -2.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 -2.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -1.5374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 1.9626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4178 1.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4178 0.4626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6857 1.4626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5518 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 2.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1548 2.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -1.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -1.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 -1.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0159 -3.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8647 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 1.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 -0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7618 3.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 3.0004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -1.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2424 0.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8197 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7469 -1.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1498 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 -2.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5507 -3.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5019 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7059 -3.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5528 -3.3474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3259 -2.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 -1.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2848 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4379 -0.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 12 2 1 6 0 0 0 2 39 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 24 1 0 0 0 0 6 28 1 0 0 0 0 7 25 1 0 0 0 0 7 29 1 0 0 0 0 8 26 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 6 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 32 1 1 0 0 0 11 13 1 0 0 0 0 11 17 1 6 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$ D01350 -OEChem-05252109562D 102101 0 0 0 0 0 0 0999 V2000 12.3923 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10102 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 26 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 28 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 30 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 32 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 34 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 36 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 38 1 0 0 0 0 37 94 1 0 0 0 0 37 95 1 0 0 0 0 38 96 1 0 0 0 0 38 97 1 0 0 0 0 39 40 1 0 0 0 0 39 98 1 0 0 0 0 39 99 1 0 0 0 0 40100 1 0 0 0 0 40101 1 0 0 0 0 M END $$$$ D01353 -OEChem-05252109562D 58 60 0 1 0 0 0 0 0999 V2000 12.1196 -1.3406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5875 -0.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 -3.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8439 -3.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 0.1560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.2349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.6727 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7991 1.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -0.3473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2593 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8516 -1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 -2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4068 3.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6647 1.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4611 3.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0599 2.5674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 -0.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 2.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 0.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 -1.9291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 -0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 0.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 -1.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9449 3.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 -0.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5735 -3.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 2 30 1 0 0 0 0 2 53 1 0 0 0 0 3 30 2 0 0 0 0 4 32 1 0 0 0 0 4 56 1 0 0 0 0 5 32 2 0 0 0 0 20 6 1 6 0 0 0 6 25 1 0 0 0 0 6 48 1 0 0 0 0 7 17 1 0 0 0 0 7 29 2 0 0 0 0 8 27 1 0 0 0 0 8 31 2 0 0 0 0 9 31 1 0 0 0 0 9 35 2 0 0 0 0 10 33 2 0 0 0 0 10 35 1 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 35 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 28 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 27 2 0 0 0 0 18 23 1 0 0 0 0 18 41 1 0 0 0 0 19 24 2 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 26 32 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 34 3 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 34 52 1 0 0 0 0 M END $$$$ D01354 -OEChem-05252109562D 20 19 0 0 0 0 0 0 0999 V2000 2.4520 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$ D01355 -OEChem-05252109562D 71 75 0 1 0 0 0 0 0999 V2000 12.0799 3.5192 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 3.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 3.7409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 4.6069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -3.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -4.6640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 5.4160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 4.6069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2320 3.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 4.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 3.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7320 4.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -3.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -4.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3198 3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 4.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2709 5.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.4826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 4.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 4.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 3.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 3.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 5.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 6.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 5.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 6.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5420 6.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -3.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 -5.1655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1282 3.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -5.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 -5.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -5.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7725 5.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 19 2 0 0 0 0 4 19 1 0 0 0 0 21 4 1 1 0 0 0 4 49 1 0 0 0 0 5 20 2 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 24 1 0 0 0 0 7 32 1 0 0 0 0 7 61 1 0 0 0 0 8 30 1 0 0 0 0 8 33 2 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 32 2 0 0 0 0 11 35 1 0 0 0 0 11 66 1 0 0 0 0 12 39 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 27 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 65 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 39 71 1 0 0 0 0 M END $$$$ D01359 -OEChem-05252109562D 71 74 0 1 0 0 0 0 0999 V2000 8.0319 1.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 1.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -0.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4996 2.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 2.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0932 -2.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.0847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.5847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.2200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.0847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.5915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9229 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 -2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9204 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5015 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4962 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 3.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0826 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 -0.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.8029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -0.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0903 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0587 2.1316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0539 -0.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3263 -0.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2216 3.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5803 -2.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4461 -2.4039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5848 -1.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 30 1 0 0 0 0 16 2 1 1 0 0 0 2 57 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 30 1 0 0 0 0 5 32 1 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 1 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 36 1 6 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 37 1 1 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 6 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 1 0 0 0 17 25 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 29 1 0 0 0 0 28 61 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 M END $$$$ D01360 -OEChem-05252109562D 37 39 0 1 0 0 0 0 0999 V2000 2.3660 1.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 -1.7990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.6901 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -0.9330 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -2.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7991 0.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 12 4 1 1 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$ D01361 -OEChem-05252109562D 37 37 0 0 0 0 0 0 0999 V2000 3.7320 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$ D01364 -OEChem-05252109562D 42 43 0 0 0 0 0 0 0999 V2000 8.4414 3.3826 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 0.6546 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 2.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 5.6546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 5.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0678 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9617 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 6.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7998 5.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8678 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 4.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 3.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2798 3.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 4.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 5.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 5.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5538 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9338 7.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 6.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4898 4.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 4.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 5.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 3.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ D01366 -OEChem-05252109562D 49 48 0 0 0 0 0 0 0999 V2000 4.8001 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 5.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 4.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 3.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 2.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 5.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 5.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 6.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8872 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5072 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7532 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 4.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3732 5.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 9.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 8.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 8.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 10.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 10.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 9.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 14 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 16 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M END $$$$ D01367 -OEChem-05252109562D 31 31 0 0 0 0 0 0 0999 V2000 4.5981 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 31 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 7 13 2 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 M END $$$$ D01369 -OEChem-05252109562D 51 53 0 0 0 0 0 0 0999 V2000 2.8660 4.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 2.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 4.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 4.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 4.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 3.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 4.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 15 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 37 1 0 0 0 0 7 23 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$ D01378 -OEChem-05252109562D 46 49 0 1 0 0 0 0 0999 V2000 9.6972 0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1592 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4411 3.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4218 2.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 -0.4327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 -2.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -1.7374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -3.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -0.6442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.9830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1592 1.3278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7456 0.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7484 2.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6990 1.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5090 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0186 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 0.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8787 1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1331 0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 2.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2509 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8566 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0637 2.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8502 1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8567 3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6386 -1.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9240 2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1597 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 0.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 3.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 3.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 2.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 14 2 1 6 0 0 0 2 35 1 0 0 0 0 16 3 1 6 0 0 0 3 36 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 27 2 0 0 0 0 15 6 1 1 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 21 1 0 0 0 0 8 19 2 0 0 0 0 8 23 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 26 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 1 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$ D01379 -OEChem-05252109562D 71 75 0 0 0 0 0 0 0999 V2000 8.1424 -0.1452 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -1.6878 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 -2.8726 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -1.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2468 3.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.6595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -0.2065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 2.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 -2.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 4.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2963 3.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6570 -2.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 -3.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 1.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 -3.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3714 -3.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3562 -4.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -1.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9409 2.0322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8339 2.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -1.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 -0.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4052 3.5997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 4.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5770 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4889 4.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7070 3.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 3.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 2.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 -0.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -3.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 -4.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5682 -4.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 1.1965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5360 0.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 4.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3460 -1.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7260 -0.4525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 41 1 0 0 0 0 6 43 1 0 0 0 0 7 42 2 0 0 0 0 8 15 1 0 0 0 0 8 44 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 10 26 1 0 0 0 0 11 20 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 26 2 0 0 0 0 13 35 1 0 0 0 0 13 42 1 0 0 0 0 13 64 1 0 0 0 0 14 41 2 0 0 0 0 15 42 1 0 0 0 0 15 65 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 24 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 36 1 0 0 0 0 27 33 1 0 0 0 0 27 49 1 0 0 0 0 28 34 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 37 1 0 0 0 0 32 38 2 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 36 40 2 0 0 0 0 36 59 1 0 0 0 0 37 39 2 0 0 0 0 37 60 1 0 0 0 0 38 39 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 40 41 1 0 0 0 0 40 63 1 0 0 0 0 43 66 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 M END $$$$ D01380 -OEChem-05252109562D 77 80 0 1 0 0 0 0 0999 V2000 8.8890 -1.9989 0.0000 P 0 0 1 0 0 0 0 0 0 0 0 0 10.3970 1.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9367 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 -1.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6970 -1.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 -2.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2998 -1.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4445 -2.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 -3.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0906 2.7397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 2.2397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0810 -2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 2.6628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3586 3.7397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 5.2397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3475 1.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9367 0.6764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3503 -0.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3987 0.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0369 2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5907 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1555 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6205 3.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0906 3.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 4.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3586 2.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6365 -2.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -3.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -1.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3587 -2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0605 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -3.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0787 -3.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6735 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 -5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2627 -5.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2191 0.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9127 -0.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 0.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 -0.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2476 0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2405 3.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2677 -1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2295 4.6337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1469 -3.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2326 -2.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 -3.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8217 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -3.4708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0832 -3.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5684 -3.6548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -3.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2346 -1.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7650 -0.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6877 5.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7616 5.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -1.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -0.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 -1.2545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2512 -2.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -3.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -0.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 -0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4505 -1.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7134 -3.3265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2787 -4.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0570 -4.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6223 -5.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0115 -6.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 6 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 17 3 1 6 0 0 0 3 48 1 0 0 0 0 18 4 1 6 0 0 0 4 50 1 0 0 0 0 5 21 1 0 0 0 0 6 35 1 0 0 0 0 8 30 1 0 0 0 0 8 33 1 0 0 0 0 9 33 2 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 24 1 0 0 0 0 11 28 2 0 0 0 0 27 12 1 6 0 0 0 12 52 1 0 0 0 0 13 22 3 0 0 0 0 14 26 2 0 0 0 0 14 28 1 0 0 0 0 15 26 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 22 1 6 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 1 0 0 0 19 45 1 0 0 0 0 20 23 2 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 27 53 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 36 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 37 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 42 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$ D01381 -OEChem-05252109562D 57 57 0 0 0 0 0 0 0999 V2000 9.0667 5.1045 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 6.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 8.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 9.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 1.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 4.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 7.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8128 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1807 7.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 7.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2731 8.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 9.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 8.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8655 10.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 7.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 8.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4467 7.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 6.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 6.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4233 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 3.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 3.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3491 8.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 9.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 8.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4761 10.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 10.7090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 9.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 8.0385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.9621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 7.0886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 6.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 8.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 7.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8347 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0667 5.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 57 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 14 2 0 0 0 0 4 17 2 0 0 0 0 5 22 1 0 0 0 0 5 28 1 0 0 0 0 6 22 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 25 1 0 0 0 0 20 43 1 0 0 0 0 21 26 2 0 0 0 0 21 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END $$$$ D01382 -OEChem-05252109562D 47 50 0 1 0 0 0 0 0999 V2000 2.0000 -0.2812 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 2.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 0.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8374 -1.6082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 0.5824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4235 -1.8947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 1.5581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 -0.1994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7384 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9365 -1.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3374 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2306 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9517 -2.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7234 0.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2055 1.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4669 2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 3.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 3.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4752 2.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 0.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 -0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 -0.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 1.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6154 1.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -3.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -2.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 0.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 -2.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -3.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 -3.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7334 -2.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0851 2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3822 3.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 2.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 3.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6132 1.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0797 2.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3373 2.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 3 23 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 2 0 0 0 0 6 9 2 0 0 0 0 6 16 1 0 0 0 0 7 20 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 29 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 16 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 23 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 2 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$ D01384 -OEChem-05252109562D 83 87 0 1 0 0 0 0 0999 V2000 5.5256 1.4342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 -1.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -3.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7511 -4.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 -0.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8491 5.0328 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -4.3178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0356 -3.8178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0356 -2.8178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1988 -4.2134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1696 -2.3178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3035 -3.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 -2.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3035 -2.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 -4.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 -3.4473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3675 -5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 -2.4787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4937 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 -2.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 -5.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -1.3178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -2.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 -1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4927 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4902 -0.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4447 3.8167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0394 4.7309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0420 2.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0091 0.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 3.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8529 4.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 5.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 5.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7717 -3.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 -4.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6326 -2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 -4.4004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -3.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 -5.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7623 -5.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -2.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -2.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0915 -2.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 -4.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9571 -5.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2387 -5.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0048 -1.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 -1.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7940 -1.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5757 -2.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1786 -3.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 -5.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4156 -5.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1726 -4.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 -1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -0.6978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7896 -1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -2.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -1.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 -1.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -4.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1049 -0.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 3.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 5.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4236 2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 2.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 1.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 2.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2594 3.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4764 0.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4267 4.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0709 3.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2296 5.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0214 5.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 4.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 5.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 5.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 14 2 1 1 0 0 0 2 26 1 0 0 0 0 17 3 1 6 0 0 0 3 65 1 0 0 0 0 4 16 2 0 0 0 0 5 26 2 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 37 1 1 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 6 0 0 0 10 17 1 0 0 0 0 10 22 1 1 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 1 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 20 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 1 0 0 0 19 25 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 2 0 0 0 0 25 64 1 0 0 0 0 26 31 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 34 1 0 0 0 0 28 68 1 1 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 29 69 1 6 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 70 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 35 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 M END $$$$ D01385 -OEChem-05252109562D 87 91 0 0 0 0 0 0 0999 V2000 16.3933 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7394 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1379 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5772 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 23 2 0 0 0 0 3 27 2 0 0 0 0 4 29 2 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 27 1 0 0 0 0 7 32 1 0 0 0 0 8 23 1 0 0 0 0 8 71 1 0 0 0 0 8 72 1 0 0 0 0 9 29 1 0 0 0 0 9 33 1 0 0 0 0 9 78 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 45 1 0 0 0 0 11 16 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 17 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 50 1 0 0 0 0 14 18 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 19 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 24 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 30 1 0 0 0 0 25 69 1 0 0 0 0 26 31 2 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 1 0 0 0 0 35 79 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 39 2 0 0 0 0 38 81 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 41 43 2 0 0 0 0 41 84 1 0 0 0 0 42 44 2 0 0 0 0 42 85 1 0 0 0 0 43 44 1 0 0 0 0 43 86 1 0 0 0 0 44 87 1 0 0 0 0 M END $$$$ D01386 -OEChem-05252109562D 76 79 0 0 0 0 0 0 0999 V2000 11.4346 7.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6924 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 7.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 7.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4346 9.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 8.9381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 9.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 7.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 10.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 7.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 6.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0753 5.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6133 6.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6645 5.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6150 5.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9346 8.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 8.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 9.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9346 8.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 9.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 10.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 8.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 10.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 9.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4346 9.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9346 10.1702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 8.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 9.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 8.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0492 6.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6138 6.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6153 5.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 6.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7411 6.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1281 4.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9176 4.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7450 4.7693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2315 5.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5436 9.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5388 10.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 10.3305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 11.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 8.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 8.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 11.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 11.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.5458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 8.8555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 6.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4346 8.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0546 9.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4346 9.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4716 10.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6246 10.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 9.8602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 10.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 10.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 7.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 9.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5618 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3589 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2293 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 39 1 0 0 0 0 2 75 1 0 0 0 0 3 40 1 0 0 0 0 3 76 1 0 0 0 0 4 39 2 0 0 0 0 5 40 2 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 23 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 24 1 0 0 0 0 9 25 2 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 32 1 0 0 0 0 11 25 1 0 0 0 0 11 33 1 0 0 0 0 11 60 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 67 1 0 0 0 0 13 33 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 36 2 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 M END $$$$ D01387 -OEChem-05252109562D 52 54 0 1 0 0 0 0 0999 V2000 3.3100 3.6123 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -0.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 1.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6565 -4.9223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4382 -1.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 4.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 3.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -1.8877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -3.8877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -1.8530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5741 -3.4085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -0.3877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0420 0.6123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9081 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.1123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0420 -2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 -1.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -3.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1481 -3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -3.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -3.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3779 -3.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5741 -2.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -1.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 1.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -0.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1201 -0.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 2.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 2.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -1.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6391 -0.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 -4.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 1.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -1.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -2.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 -3.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -4.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -4.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1098 -3.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 4.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 15 2 1 6 0 0 0 2 40 1 0 0 0 0 16 3 1 1 0 0 0 3 42 1 0 0 0 0 18 4 1 6 0 0 0 4 43 1 0 0 0 0 5 22 1 0 0 0 0 6 28 2 0 0 0 0 7 31 2 0 0 0 0 8 51 1 0 0 0 0 9 52 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 24 2 0 0 0 0 13 20 2 0 0 0 0 13 31 1 0 0 0 0 14 28 1 0 0 0 0 14 31 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$ D01389 -OEChem-05252109562D 97100 0 1 0 0 0 0 0999 V2000 6.4547 -2.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 -1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 1.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 -2.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 -1.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -2.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8236 -1.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 3.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1954 0.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 3.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 1.9036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 1.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 -0.7973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5384 -0.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1772 -1.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7083 -0.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1584 -1.3581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7762 0.5654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5876 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.9157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9461 1.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7271 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0747 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 -3.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 -2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5017 -0.2204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0221 -3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0388 -4.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5129 -0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4721 -0.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 3.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 0.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 2.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 3.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 2.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 2.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7310 4.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0764 -0.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -1.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -2.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -0.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 -0.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 0.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2061 0.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6296 0.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 0.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7878 -2.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -0.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8465 -1.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6428 -0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 -0.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4751 -1.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 2.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 1.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 0.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 -0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 1.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 2.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 -2.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 2.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7225 -4.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5649 -3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -4.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2108 -4.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6345 -4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 -1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0737 -0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 0.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3458 2.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5727 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7258 3.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 1.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 1.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1386 3.6809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 4.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 4.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8407 4.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8047 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 4.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 1 28 1 0 0 0 0 15 2 1 6 0 0 0 2 68 1 0 0 0 0 19 3 1 6 0 0 0 3 73 1 0 0 0 0 21 4 1 6 0 0 0 4 32 1 0 0 0 0 5 29 1 0 0 0 0 5 31 1 0 0 0 0 6 31 1 0 0 0 0 6 36 1 0 0 0 0 7 28 2 0 0 0 0 8 35 2 0 0 0 0 9 42 1 0 0 0 0 9 95 1 0 0 0 0 10 43 1 0 0 0 0 10 96 1 0 0 0 0 11 44 1 0 0 0 0 11 97 1 0 0 0 0 12 49 2 0 0 0 0 13 46 1 0 0 0 0 13 49 1 0 0 0 0 13 91 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 1 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 6 0 0 0 17 54 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 6 0 0 0 18 55 1 0 0 0 0 19 22 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 26 1 0 0 0 0 21 60 1 0 0 0 0 22 25 1 1 0 0 0 22 27 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 29 2 0 0 0 0 26 72 1 0 0 0 0 27 30 2 0 0 0 0 27 74 1 0 0 0 0 28 33 1 0 0 0 0 29 75 1 0 0 0 0 30 39 1 0 0 0 0 30 76 1 0 0 0 0 31 35 1 0 0 0 0 31 38 1 1 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 43 2 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 45 2 0 0 0 0 39 86 1 0 0 0 0 40 42 2 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 41 44 2 0 0 0 0 43 48 1 0 0 0 0 44 46 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 46 48 2 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 50 94 1 0 0 0 0 M END $$$$ D01393 -OEChem-05252109562D 67 72 0 1 0 0 0 0 0999 V2000 3.2470 3.4926 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0562 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 0.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3511 -3.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9116 -0.8638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5791 -3.7886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 4.9881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4070 -5.1688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9533 -6.2685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3566 -2.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 3.7906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4010 -2.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0896 -2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 2.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 4.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1785 -1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 1.7662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9814 3.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9814 2.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 4.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 0.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 -4.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4935 -4.1785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 3.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -5.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 4.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 5.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 -4.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7814 3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7814 2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4391 -5.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 6.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9535 -6.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9491 -2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7818 -2.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 -3.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -2.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 -1.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 3.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7848 4.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 -1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6072 -1.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4864 -1.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 -0.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 1.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7848 1.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0146 5.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9676 5.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8682 4.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5796 5.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 -5.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -4.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3172 3.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3172 2.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 6.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 -5.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 6.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 -6.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 35 1 0 0 0 0 21 3 1 6 0 0 0 3 25 1 0 0 0 0 4 25 2 0 0 0 0 5 27 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 17 8 1 6 0 0 0 8 56 1 0 0 0 0 8 57 1 0 0 0 0 9 23 1 0 0 0 0 9 34 2 0 0 0 0 10 27 1 0 0 0 0 10 29 1 0 0 0 0 10 60 1 0 0 0 0 11 29 1 0 0 0 0 11 39 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 1 0 0 0 13 41 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 26 29 2 0 0 0 0 26 32 1 0 0 0 0 28 33 2 0 0 0 0 28 58 1 0 0 0 0 30 35 1 0 0 0 0 31 36 2 0 0 0 0 31 59 1 0 0 0 0 32 37 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 38 2 0 0 0 0 36 38 1 0 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 M END $$$$ D01394 -OEChem-05252109562D 61 64 0 1 0 0 0 0 0999 V2000 4.7950 0.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.6870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -1.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.6870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 -0.1870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.3130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.1939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.7393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 1.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8414 2.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 1.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.8070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 2.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 3.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 3.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 54 1 0 0 0 0 2 17 2 0 0 0 0 3 26 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 1 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 6 0 0 0 6 9 1 0 0 0 0 6 16 1 6 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 1 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 6 0 0 0 9 10 1 0 0 0 0 9 20 1 6 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 1 0 0 0 13 22 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 24 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 2 0 0 0 0 22 53 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 26 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 M END $$$$ D01395 -OEChem-05252109562D 54 57 0 0 0 0 0 0 0999 V2000 9.7942 2.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4202 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4131 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1880 -1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3663 -1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5965 -0.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7504 0.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 3 13 2 0 0 0 0 4 27 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 7 44 1 0 0 0 0 8 23 1 0 0 0 0 8 27 1 0 0 0 0 8 45 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 49 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END $$$$ D01397 -OEChem-05252109562D 53 58 0 1 0 0 0 0 0999 V2000 5.1753 1.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3234 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0471 -0.2714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7791 -0.2647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4996 2.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6355 2.2386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 2.9152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1390 -0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 -2.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 -1.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0432 0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9073 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6393 1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5073 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3714 1.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3675 2.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7050 3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6934 3.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2393 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 4.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0106 -5.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 -4.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3204 -4.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 -5.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6045 -0.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -2.9607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4767 -2.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9049 1.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5097 0.1220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2892 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9314 0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7775 0.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5473 1.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7281 4.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4979 5.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6519 4.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 2 37 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 19 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 23 2 0 0 0 0 8 26 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END $$$$ D01399 -OEChem-05252109562D 92 96 0 1 0 0 0 0 0999 V2000 5.8703 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 8.9751 7.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 3.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 6.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 8.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 5.7078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3412 5.2470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 5.2078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7182 6.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8522 4.7078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9861 5.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0761 4.7009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2480 5.7078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6644 6.5125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6644 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 6.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0681 3.6593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9861 6.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 3.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1493 5.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 7.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 3.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2014 4.7370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0838 5.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1991 5.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2480 6.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 3.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9390 4.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 6.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1991 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6081 4.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3072 8.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 4.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 5.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 6.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6179 9.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2991 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8081 4.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5915 4.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 5.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6342 4.9506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2769 6.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4134 4.3361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2018 4.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 7.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4536 7.1827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0714 2.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 6.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 6.1001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0862 3.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4774 3.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 2.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3712 2.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 5.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 5.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 7.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7182 7.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 7.2078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 2.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 2.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 4.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7038 5.6961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0886 6.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 5.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 4.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7360 5.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 7.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 6.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 3.0321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3916 5.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5573 4.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2476 5.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2476 6.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7360 7.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9469 7.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2146 4.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 2.5354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 4.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9621 6.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 6.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 4.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 7.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 7.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 8.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8105 9.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 9.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 2.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 2.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 2 1 1 0 0 0 2 33 1 0 0 0 0 28 3 1 6 0 0 0 3 79 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 33 2 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 29 1 0 0 0 0 24 7 1 1 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 40 1 6 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 1 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 41 1 1 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 42 1 6 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 25 1 1 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 6 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 23 1 0 0 0 0 17 49 1 6 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 28 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 28 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 30 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 29 32 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 31 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 39 2 0 0 0 0 32 78 1 0 0 0 0 33 38 1 0 0 0 0 34 36 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 37 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 39 91 1 0 0 0 0 39 92 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$ D01401 -OEChem-05252109562D 72 73 0 1 0 0 0 0 0999 V2000 7.2960 1.5421 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0032 0.8350 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 -1.5735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 -3.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3112 3.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1089 -1.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 -2.1766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9725 1.7819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 3.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 -2.6994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0019 -3.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 3.0421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4446 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 -4.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -4.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 2.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8672 2.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2016 -1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4594 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4562 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8846 1.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 -3.0233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4349 -3.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 4.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0924 -0.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.2994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 3.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 2.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 -4.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -4.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1672 -3.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8286 -3.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6934 -4.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 -4.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6272 -2.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 2.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5081 3.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 2.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6028 0.8400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 0.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0729 -0.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8158 -0.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8085 -0.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4448 1.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 1.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3244 1.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 2 34 1 0 0 0 0 3 20 1 0 0 0 0 3 24 1 0 0 0 0 4 17 2 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 29 2 0 0 0 0 8 30 2 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 41 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 10 52 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 59 1 0 0 0 0 12 29 1 0 0 0 0 12 31 1 0 0 0 0 12 63 1 0 0 0 0 13 14 1 6 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 1 0 0 0 15 24 1 0 0 0 0 15 39 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 40 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 20 48 1 6 0 0 0 21 23 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 27 1 0 0 0 0 22 29 1 0 0 0 0 22 51 1 6 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 32 2 0 0 0 0 28 62 1 0 0 0 0 30 31 1 0 0 0 0 31 35 2 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END $$$$ D01404 -OEChem-05252109562D 48 48 0 1 0 0 0 0 0999 V2000 3.0680 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 9.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 9.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 7.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2891 7.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9091 8.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 4.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 6 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 M END $$$$ D01405 -OEChem-05252109562D 47 49 0 1 0 0 0 0 0999 V2000 2.6691 0.3321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 -2.6092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.4254 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0468 -0.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0468 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6728 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6728 -1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 -0.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 -0.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 -1.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5143 -2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -2.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -0.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 1.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 0.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 2.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 1.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6656 1.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 0.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 -1.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 2.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 2.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 -2.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -1.4840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 44 1 0 0 0 0 4 3 1 6 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 18 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 M END $$$$ D01408 -OEChem-05252109562D 217225 0 1 0 0 0 0 0999 V2000 5.1350 -23.4192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 -16.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8951 -22.1404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -20.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6332 22.5653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -24.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1852 20.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -26.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2326 25.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7307 -9.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2013 21.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3192 19.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8511 24.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3343 19.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 -7.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3288 -5.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7211 14.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0608 -3.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5871 11.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8551 10.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9269 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8551 8.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2570 5.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6589 1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5249 3.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -20.8803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -15.6081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3647 -13.8856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8647 -12.3467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -25.4192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7225 24.2777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6737 -12.9345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.0081 22.9736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4531 14.6533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7211 12.6533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9172 12.6533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1230 8.1533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 -19.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4038 -18.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 -19.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -17.3307 0.0000 C 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0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 24 30 1 0 0 0 0 25 29 2 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 33 1 0 0 0 0 31 33 2 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 55 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END $$$$ D01416 -OEChem-05252109562D 43 46 0 1 0 0 0 0 0999 V2000 12.2367 -0.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8639 -0.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4156 0.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 -1.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3565 1.4410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2514 -1.0996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5934 -0.1599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8787 -0.5075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6198 0.4584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6070 -1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1882 0.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8298 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8565 2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1568 -0.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -0.4834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9321 -1.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4838 0.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 -0.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7426 1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0393 -1.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8054 0.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0987 -1.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3998 1.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9915 -1.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 -1.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5804 0.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2072 0.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3195 2.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 2.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3934 1.9970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -0.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5497 -1.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 -2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3574 -0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 1.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8057 -2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2119 0.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 2.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 2.0763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 7 1 1 1 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 16 1 0 0 0 0 4 40 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 1 0 0 0 9 11 1 0 0 0 0 9 26 1 6 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 6 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$ D01418 -OEChem-05252109562D 24 24 0 1 0 0 0 0 0999 V2000 5.3692 -1.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5835 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.6356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 2.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.9143 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5032 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -0.8644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3122 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -0.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -1.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5453 -0.9014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 -0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 0.1725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 0.3247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 1.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 -2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$ D01420 -OEChem-05252109562D 42 44 0 0 0 0 0 0 0999 V2000 2.3660 -3.7633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.4953 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.1293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -5.4953 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.7633 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 0.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -0.0905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -1.0415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -1.0415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 2.6502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 2.7547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7141 3.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5385 5.3908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9116 1.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 3.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 4.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 4.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 5.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 0.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 0.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 2.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 3.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 2.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7374 4.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 6.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 6 23 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 21 2 0 0 0 0 10 21 1 0 0 0 0 10 24 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 38 1 0 0 0 0 12 28 1 0 0 0 0 12 39 1 0 0 0 0 13 28 2 0 0 0 0 13 30 1 0 0 0 0 14 29 2 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 28 29 1 0 0 0 0 29 40 1 0 0 0 0 30 31 2 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 M END $$$$ D01421 -OEChem-05252109562D 70 75 0 1 0 0 0 0 0999 V2000 5.2306 7.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3475 3.3526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 6.8036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.4962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -5.8009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 -2.2904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 2.6086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8773 2.0351 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8828 2.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 0.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4984 5.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 5.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 5.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0796 6.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6532 6.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -4.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 8.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -4.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -8.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -3.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8117 3.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 1.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 0.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 0.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 0.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8471 0.8261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 3.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4289 4.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 4.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6896 5.8432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 6.1256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 8.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1598 9.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2963 8.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -7.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -6.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -4.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -8.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -8.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -8.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -6.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -6.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -6.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 33 1 0 0 0 0 2 30 1 0 0 0 0 2 36 1 0 0 0 0 3 35 1 0 0 0 0 3 70 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 32 1 0 0 0 0 9 34 2 0 0 0 0 10 39 3 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 2 0 0 0 0 19 50 1 0 0 0 0 20 25 2 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 31 34 1 0 0 0 0 31 39 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 M END $$$$ D01422 -OEChem-05252109562D 42 44 0 0 0 0 0 0 0999 V2000 4.2690 5.1550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -0.6497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 0.9597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0169 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3166 -2.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -3.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -3.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 19 2 0 0 0 0 6 27 1 0 0 0 0 6 42 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 20 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 17 2 0 0 0 0 10 19 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 28 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$ D01423 -OEChem-05252109562D 582587 0 1 0 0 0 0 0999 V2000 13.7953 4.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 6.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 8.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 8.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 6.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 -16.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 2.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6324 -17.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7664 -19.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 4.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 1.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 -17.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 3.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -19.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 4.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -14.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7760 3.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 4.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5177 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5177 -3.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 1.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.7760 3.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7139 -12.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 1.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.7760 4.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.2760 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 6.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2760 3.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 4.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 47.2760 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 6.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.7760 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.2760 9.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 -5.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 6.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7760 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.2760 3.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 -10.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.7760 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.2760 -2.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.2760 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7760 -2.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2760 3.9635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.7760 6.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.7760 4.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2760 12.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.7760 10.0257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.2760 7.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.7760 15.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.2498 -9.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2760 12.6237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.2760 10.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 7.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 7.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 7.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 6.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2204 9.4293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 4.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 -18.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 3.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.2760 3.9635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -1.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5177 2.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 2.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 43.7760 4.8295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 -14.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 3.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 3.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 45.7760 3.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 33.7138 2.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.2760 0.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 48.2760 2.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.7760 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 54.7760 1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.2760 2.2314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 6.0974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.2760 3.9635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.7760 6.5616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.7760 11.7577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.2760 14.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.2760 9.1596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 -7.9026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.2760 16.0878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.2815 17.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 57.9396 19.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 6.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 6.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.0974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8574 8.5974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 7.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 44.9722 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 7.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 45.8382 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.1062 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.7042 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2401 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5703 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3741 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 8.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4363 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 7.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5081 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.3023 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5633 6.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5632 5.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 7.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 7.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 40.6421 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 50.1683 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 7.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3933 7.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 7.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6922 10.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 10.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0344 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 7.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8875 8.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7137 10.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 6.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 4.5974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3215 5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3601 10.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.9004 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 8.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4030 11.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 2.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 38.0440 -17.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0494 11.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0709 11.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 4.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 9.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -17.9026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 52.7664 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -16.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 10.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 10.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 3.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 40.7760 3.0974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2760 2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 10.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -16.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 40.7761 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -18.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7760 4.8295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 38.0440 3.0974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 41.2761 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7761 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -15.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2760 3.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2760 5.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 2.5974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.6517 -1.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7760 6.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 4.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.2760 3.9635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 44.2760 3.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 3.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 49.7760 1.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 34.5799 -13.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2760 2.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 1.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 -2.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.2760 2.2314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 35.4459 2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.7760 4.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7760 1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7760 6.5616 0.0000 C 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 9.1945 3.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2554 3.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4696 3.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3976 2.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6644 -0.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5707 1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 5.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1568 0.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 4.9212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.7752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2103 -1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9016 4.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3879 3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 3.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9606 -7.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9362 -5.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4807 -7.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5387 -7.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 9.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 8.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 8.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 7.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 57 1 0 0 0 0 2 63 1 0 0 0 0 3 35 2 0 0 0 0 4 38 2 0 0 0 0 5 42 2 0 0 0 0 6 44 2 0 0 0 0 7 53 2 0 0 0 0 8 60 2 0 0 0 0 9 65 2 0 0 0 0 10 67 2 0 0 0 0 11 76 2 0 0 0 0 12 31 1 0 0 0 0 12 35 1 0 0 0 0 12 86 1 0 0 0 0 13 30 1 0 0 0 0 13 38 1 0 0 0 0 13 87 1 0 0 0 0 14 34 1 0 0 0 0 14 44 1 0 0 0 0 14 93 1 0 0 0 0 15 42 1 0 0 0 0 15 49 1 0 0 0 0 15 99 1 0 0 0 0 16 43 1 0 0 0 0 16 45 1 0 0 0 0 16100 1 0 0 0 0 17 40 1 0 0 0 0 17 53 1 0 0 0 0 17102 1 0 0 0 0 18 51 1 0 0 0 0 18 60 1 0 0 0 0 18112 1 0 0 0 0 52 19 1 6 0 0 0 19 65 1 0 0 0 0 19118 1 0 0 0 0 20 47 1 0 0 0 0 20 75 2 0 0 0 0 21 55 1 0 0 0 0 21 74 1 0 0 0 0 21125 1 0 0 0 0 56 22 1 1 0 0 0 22 76 1 0 0 0 0 22127 1 0 0 0 0 23 69 1 0 0 0 0 23 74 2 0 0 0 0 24 67 1 0 0 0 0 24134 1 0 0 0 0 24135 1 0 0 0 0 25 72 1 0 0 0 0 25 78 2 0 0 0 0 26 75 1 0 0 0 0 26139 1 0 0 0 0 26140 1 0 0 0 0 27 75 1 0 0 0 0 27141 1 0 0 0 0 27142 1 0 0 0 0 28 78 1 0 0 0 0 28143 1 0 0 0 0 28144 1 0 0 0 0 29 78 1 0 0 0 0 29145 1 0 0 0 0 29146 1 0 0 0 0 30 32 1 1 0 0 0 30 35 1 0 0 0 0 30 79 1 0 0 0 0 31 33 1 1 0 0 0 31 42 1 0 0 0 0 31 80 1 0 0 0 0 32 37 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 36 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 38 1 0 0 0 0 34 39 1 6 0 0 0 34 85 1 0 0 0 0 36 41 1 0 0 0 0 36 45 2 0 0 0 0 37 47 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 39 48 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 44 1 0 0 0 0 40 46 1 1 0 0 0 40 92 1 0 0 0 0 41 43 1 0 0 0 0 41 50 2 0 0 0 0 43 54 2 0 0 0 0 45 94 1 0 0 0 0 46 55 1 0 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 97 1 0 0 0 0 47 98 1 0 0 0 0 48 61 2 0 0 0 0 48 62 1 0 0 0 0 49 57 1 0 0 0 0 49 67 1 6 0 0 0 49101 1 0 0 0 0 50 59 1 0 0 0 0 50103 1 0 0 0 0 51 53 1 0 0 0 0 51 68 1 6 0 0 0 51104 1 0 0 0 0 52 60 1 0 0 0 0 52 63 1 0 0 0 0 52105 1 0 0 0 0 54 64 1 0 0 0 0 54106 1 0 0 0 0 55 69 2 0 0 0 0 56 58 1 0 0 0 0 56 65 1 0 0 0 0 56107 1 0 0 0 0 57108 1 0 0 0 0 57109 1 0 0 0 0 58 66 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 59 64 2 0 0 0 0 59113 1 0 0 0 0 61 70 1 0 0 0 0 61114 1 0 0 0 0 62 71 2 0 0 0 0 62115 1 0 0 0 0 63116 1 0 0 0 0 63117 1 0 0 0 0 64119 1 0 0 0 0 66 72 1 0 0 0 0 66120 1 0 0 0 0 66121 1 0 0 0 0 68122 1 0 0 0 0 68123 1 0 0 0 0 68124 1 0 0 0 0 69126 1 0 0 0 0 70 73 2 0 0 0 0 70128 1 0 0 0 0 71 73 1 0 0 0 0 71129 1 0 0 0 0 72130 1 0 0 0 0 72131 1 0 0 0 0 73132 1 0 0 0 0 74133 1 0 0 0 0 76 77 1 0 0 0 0 77136 1 0 0 0 0 77137 1 0 0 0 0 77138 1 0 0 0 0 M END $$$$ D01426 -OEChem-05252109562D 67 69 0 1 0 0 0 0 0999 V2000 5.9641 4.8047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.1708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 6.5368 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 -5.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -3.6340 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -4.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1636 -4.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -5.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -3.2440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9189 -2.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 -1.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6234 -1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 -4.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -5.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.4119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.1393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7774 -4.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1842 -4.1711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8604 -5.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4537 -6.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.2784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -5.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6454 -6.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 5.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 5.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 25 1 0 0 0 0 4 61 1 0 0 0 0 5 23 2 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 21 9 1 6 0 0 0 9 26 1 0 0 0 0 9 49 1 0 0 0 0 10 23 1 0 0 0 0 10 59 1 0 0 0 0 10 60 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 22 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END $$$$ D01429 -OEChem-05252109562D 140143 0 1 0 0 0 0 0999 V2000 8.3316 3.2079 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.6493 -0.3073 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4138 -8.5752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 0.3564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0675 -0.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 -2.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7603 -3.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6817 5.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9850 -1.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7032 5.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9279 7.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7244 -7.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2312 -0.2268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5884 -1.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1031 -9.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3643 -8.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4632 -8.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7533 0.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -1.5447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 -3.5666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 3.5398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 -3.1589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4032 -1.8765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3422 -3.4908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3281 5.4408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2992 -3.0783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2851 5.8533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 -0.8004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1320 -1.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0639 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8213 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0424 2.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 -3.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -2.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 4.2841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0495 -2.4146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3637 -3.6970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3531 3.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7568 -1.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3602 -1.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -1.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0530 -4.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6959 -2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 4.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -3.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0710 -2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3496 5.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 6.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1430 -2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3387 -1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -3.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7209 -5.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 7.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6529 -2.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 -2.3340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3926 4.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2816 8.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 6.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6994 -5.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4102 -6.3423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9420 -1.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 4.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 -5.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0781 -7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0566 -6.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2601 8.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 8.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6278 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9205 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 9.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 9.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9029 9.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -1.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1114 -0.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -0.9192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 1.7171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 1.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6563 1.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 0.7666 0.0000 H 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -1.2872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7563 -3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -1.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 4.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3592 -1.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9525 -1.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -3.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 7.4277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5884 6.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2381 -2.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8920 -4.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8035 -6.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9215 -0.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3282 -1.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2316 3.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 4.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 4.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9739 -5.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 -7.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 7.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9059 -2.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1066 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8918 5.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0925 5.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7557 -0.7078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2345 0.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1774 9.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 10.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0955 10.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8379 -0.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5172 -9.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 1 68 1 0 0 0 0 2 56 1 0 0 0 0 2 74 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 3 19 2 0 0 0 0 4 34 2 0 0 0 0 5 38 2 0 0 0 0 6 44 2 0 0 0 0 7 49 2 0 0 0 0 8 52 2 0 0 0 0 9 53 2 0 0 0 0 10 60 2 0 0 0 0 11 62 1 0 0 0 0 11137 1 0 0 0 0 12 62 2 0 0 0 0 13 64 2 0 0 0 0 14 71 1 0 0 0 0 15 75 1 0 0 0 0 15139 1 0 0 0 0 16 75 2 0 0 0 0 17140 1 0 0 0 0 32 20 1 6 0 0 0 20 34 1 0 0 0 0 20 85 1 0 0 0 0 30 21 1 1 0 0 0 21 44 1 0 0 0 0 21 86 1 0 0 0 0 22 37 1 0 0 0 0 22 39 1 0 0 0 0 22 90 1 0 0 0 0 23 38 1 0 0 0 0 40 23 1 1 0 0 0 23 92 1 0 0 0 0 41 24 1 6 0 0 0 24 49 1 0 0 0 0 24102 1 0 0 0 0 25 48 1 0 0 0 0 25 52 1 0 0 0 0 25107 1 0 0 0 0 42 26 1 1 0 0 0 26 60 1 0 0 0 0 26108 1 0 0 0 0 27 53 1 0 0 0 0 54 27 1 1 0 0 0 27110 1 0 0 0 0 61 28 1 6 0 0 0 28128 1 0 0 0 0 28129 1 0 0 0 0 29 64 1 0 0 0 0 29130 1 0 0 0 0 29131 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 30 79 1 0 0 0 0 31 33 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 32 36 1 0 0 0 0 32 38 1 0 0 0 0 32 82 1 0 0 0 0 33 35 1 0 0 0 0 33 39 2 0 0 0 0 35 37 1 0 0 0 0 35 46 2 0 0 0 0 36 43 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 37 51 2 0 0 0 0 39 87 1 0 0 0 0 40 50 1 0 0 0 0 40 53 1 0 0 0 0 40 88 1 0 0 0 0 41 45 1 0 0 0 0 41 52 1 0 0 0 0 41 89 1 0 0 0 0 42 47 1 0 0 0 0 42 49 1 0 0 0 0 42 91 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 48 1 0 0 0 0 45 56 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 55 1 0 0 0 0 46 97 1 0 0 0 0 47 58 1 0 0 0 0 47 98 1 0 0 0 0 47 99 1 0 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 50 62 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 51 57 1 0 0 0 0 51105 1 0 0 0 0 54 59 1 0 0 0 0 54 64 1 0 0 0 0 54106 1 0 0 0 0 55 57 2 0 0 0 0 55109 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57113 1 0 0 0 0 58 65 2 0 0 0 0 58 66 1 0 0 0 0 59 63 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 60 61 1 0 0 0 0 61 67 1 0 0 0 0 61116 1 0 0 0 0 63 72 2 0 0 0 0 63 73 1 0 0 0 0 65 69 1 0 0 0 0 65117 1 0 0 0 0 66 70 2 0 0 0 0 66118 1 0 0 0 0 67 75 1 0 0 0 0 67119 1 0 0 0 0 67120 1 0 0 0 0 68121 1 0 0 0 0 68122 1 0 0 0 0 68123 1 0 0 0 0 69 71 2 0 0 0 0 69124 1 0 0 0 0 70 71 1 0 0 0 0 70125 1 0 0 0 0 72 76 1 0 0 0 0 72126 1 0 0 0 0 73 77 2 0 0 0 0 73127 1 0 0 0 0 74132 1 0 0 0 0 74133 1 0 0 0 0 74134 1 0 0 0 0 76 78 2 0 0 0 0 76135 1 0 0 0 0 77 78 1 0 0 0 0 77136 1 0 0 0 0 78138 1 0 0 0 0 M END $$$$ D01430 -OEChem-05252109562D 72 75 0 0 0 0 0 0 0999 V2000 4.4641 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3491 -2.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4831 -0.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6171 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3582 -3.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6511 -2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4831 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1089 -2.6703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1978 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9571 -3.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8116 -1.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0522 -1.8736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8860 -1.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 21 1 0 0 0 0 4 63 1 0 0 0 0 5 21 2 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 36 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 26 2 0 0 0 0 23 56 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 34 1 0 0 0 0 29 33 2 0 0 0 0 29 59 1 0 0 0 0 30 35 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 M END $$$$ D01431 -OEChem-05252109562D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 F -1 5 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 1 2 -1 M ISO 1 2 18 M END $$$$ D01432 -OEChem-05252109562D 21 10 0 0 0 0 0 0 0999 V2000 4.8059 2.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5380 2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.9399 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.5000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 5.6720 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 3.9399 2.5000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 1.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 3.0000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 5.6720 1.5000 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 1.0739 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 7 2 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 8 13 3 0 0 0 0 9 14 3 0 0 0 0 10 15 3 0 0 0 0 11 16 3 0 0 0 0 12 17 3 0 0 0 0 M CHG 8 1 4 2 1 3 1 7 -1 13 -1 14 -1 15 -1 16 -1 M CHG 1 17 -1 M END $$$$ D01433 -OEChem-05252109562D 20 20 0 0 0 0 0 0 0999 V2000 3.0000 1.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 18 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ D01434 -OEChem-05252109572D 28 28 0 1 0 0 0 0 0999 V2000 5.4641 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 5 3 1 1 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 M END $$$$ D01435 -OEChem-05252109572D 184184 0 1 0 0 0 0 0999 V2000 18.4545 -11.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 9.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -10.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9545 -10.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9545 -12.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -12.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -11.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 8.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -11.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -12.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -10.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 12.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 10.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -12.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.1475 -10.6005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.9565 -12.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.1256 -10.3926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.6256 -11.2586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -11.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 6.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -11.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 11.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 -12.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -11.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -11.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -10.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -11.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2583 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -8.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -11.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -11.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -11.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -11.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 9.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 10.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 11.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -11.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -11.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -12.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -12.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -12.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -12.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -11.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 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0 0 0 0 0 0 4.2690 -7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -10.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -7.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -6.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -10.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -9.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -9.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -10.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -11.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -5.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -8.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1402 0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -10.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -10.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -12.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 8.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 7.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -10.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -10.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -12.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 10.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 9.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 10.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -11.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 12.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 11.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 12.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 1 53 1 0 0 0 0 2 77 1 0 0 0 0 2 87 1 0 0 0 0 3 51 2 0 0 0 0 6 61 2 0 0 0 0 7 62 2 0 0 0 0 8 72 1 0 0 0 0 8 80 1 0 0 0 0 9 74 1 0 0 0 0 9 84 1 0 0 0 0 10 66 2 0 0 0 0 11 71 2 0 0 0 0 12 82 1 0 0 0 0 12 83 1 0 0 0 0 13 73 2 0 0 0 0 14 75 1 0 0 0 0 14179 1 0 0 0 0 15 85 1 0 0 0 0 15 86 1 0 0 0 0 16 78 1 0 0 0 0 16181 1 0 0 0 0 17 75 2 0 0 0 0 18 76 2 0 0 0 0 19 78 2 0 0 0 0 20 81 2 0 0 0 0 21 89 1 0 0 0 0 21184 1 0 0 0 0 22 89 2 0 0 0 0 23 51 1 0 0 0 0 23120 1 0 0 0 0 24 26 1 0 0 0 0 24 52 2 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26134 1 0 0 0 0 58 28 1 1 0 0 0 28 66 1 0 0 0 0 28137 1 0 0 0 0 29 61 1 0 0 0 0 29 69 1 0 0 0 0 29140 1 0 0 0 0 30 60 1 0 0 0 0 30 73 1 0 0 0 0 30139 1 0 0 0 0 63 31 1 6 0 0 0 31 71 1 0 0 0 0 31152 1 0 0 0 0 32 62 1 0 0 0 0 32155 1 0 0 0 0 32156 1 0 0 0 0 68 33 1 6 0 0 0 33 81 1 0 0 0 0 33159 1 0 0 0 0 34 76 1 0 0 0 0 34 79 1 0 0 0 0 34162 1 0 0 0 0 88 35 1 1 0 0 0 35182 1 0 0 0 0 35183 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 39 1 0 0 0 0 37 92 1 0 0 0 0 37 93 1 0 0 0 0 38 40 1 0 0 0 0 38 94 1 0 0 0 0 38 95 1 0 0 0 0 39 41 1 0 0 0 0 39 96 1 0 0 0 0 39 97 1 0 0 0 0 40 42 1 0 0 0 0 40 98 1 0 0 0 0 40 99 1 0 0 0 0 41 43 1 0 0 0 0 41100 1 0 0 0 0 41101 1 0 0 0 0 42 44 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43 45 1 0 0 0 0 43104 1 0 0 0 0 43105 1 0 0 0 0 44 46 1 0 0 0 0 44106 1 0 0 0 0 44107 1 0 0 0 0 45 47 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46 48 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 49 1 0 0 0 0 47112 1 0 0 0 0 47113 1 0 0 0 0 48 50 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 49 51 1 0 0 0 0 49116 1 0 0 0 0 49117 1 0 0 0 0 50 52 1 0 0 0 0 50118 1 0 0 0 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1 0 0 0 0 83170 1 0 0 0 0 84 86 1 0 0 0 0 84171 1 0 0 0 0 84172 1 0 0 0 0 85173 1 0 0 0 0 85174 1 0 0 0 0 86175 1 0 0 0 0 86176 1 0 0 0 0 87 88 1 0 0 0 0 87177 1 0 0 0 0 87178 1 0 0 0 0 88 89 1 0 0 0 0 88180 1 0 0 0 0 M END $$$$ D01437 -OEChem-05252109572D 77 78 0 1 0 0 0 0 0999 V2000 11.8681 8.6345 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 4.3655 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 13.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 9.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 8.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 9.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 4.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 3.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 5.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 7.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 3.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 11.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 9.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 12.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3301 12.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0622 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 13.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 13.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2742 10.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6728 11.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7196 11.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 10.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2382 12.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4651 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 13.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7741 13.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 13.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 12.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9081 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 4.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 8.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 8.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 10.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 4.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 4.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6781 5.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 15 2 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 16 2 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 45 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 32 2 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 72 1 0 0 0 0 10 73 1 0 0 0 0 11 74 1 0 0 0 0 12 75 1 0 0 0 0 13 76 1 0 0 0 0 14 77 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 26 1 0 0 0 0 18 26 2 0 0 0 0 18 30 1 0 0 0 0 19 29 1 0 0 0 0 19 32 1 0 0 0 0 19 61 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 1 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 1 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 30 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 35 2 0 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 39 1 0 0 0 0 35 62 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 2 0 0 0 0 37 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 67 1 0 0 0 0 40 42 1 0 0 0 0 40 68 1 0 0 0 0 41 43 2 0 0 0 0 41 69 1 0 0 0 0 42 44 2 0 0 0 0 42 70 1 0 0 0 0 43 44 1 0 0 0 0 43 71 1 0 0 0 0 M END $$$$ D01439 -OEChem-05252109572D 50 53 0 1 0 0 0 0 0999 V2000 6.3301 -1.4050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 2.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 2.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.4397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5686 -2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 -2.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -1.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9884 -2.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4538 -2.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6691 -2.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 -2.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 3 25 2 0 0 0 0 4 28 1 0 0 0 0 4 50 1 0 0 0 0 5 28 2 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 19 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 41 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 20 1 0 0 0 0 13 21 2 0 0 0 0 14 16 1 0 0 0 0 14 26 1 1 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 1 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 24 2 0 0 0 0 19 23 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$ D01440 -OEChem-05252109572D 35 36 0 1 0 0 0 0 0999 V2000 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -1.0697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0529 -0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 2 13 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$ D01441 -OEChem-05252109572D 33 33 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 11 2 1 1 0 0 0 2 27 1 0 0 0 0 13 3 1 6 0 0 0 3 28 1 0 0 0 0 15 4 1 6 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 17 2 0 0 0 0 7 10 2 0 0 0 0 12 8 1 6 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 1 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END $$$$ D01442 -OEChem-05252109572D 3 0 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Sr 1 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M ISO 1 1 89 M END $$$$ D01443 -OEChem-05252109572D 52 49 0 0 0 0 0 0 0999 V2000 5.9161 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 5.9161 2.5000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 8.3312 6.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 6.9030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 6.4030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0632 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 7.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 6.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4292 7.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 7.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 6.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 6.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1053 6.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 7.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4853 7.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 5.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7392 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9662 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9662 8.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1192 8.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8923 7.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 7.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 7.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 6.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 5.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 5.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 7.3779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 M CHG 4 1 -1 2 -1 7 1 8 1 M END $$$$ D01444 -OEChem-05252109572D 71 53 0 1 0 0 0 0 0999 V2000 7.9409 1.5000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 6.2089 1.5000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 4.4768 1.5000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 9.6730 1.5000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 11.4050 1.5000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 13.1371 1.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.2711 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.3971 8.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6572 9.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8971 10.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0913 8.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9291 10.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 6.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.3294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 13.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3429 2.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 6.2089 0.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 7.0749 2.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 8.8070 2.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 7.9409 0.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 10.5390 2.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 12.2711 2.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 11.4050 0.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 9.3971 8.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7061 9.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8971 9.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0881 9.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5311 6.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5311 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6650 5.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7990 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7990 6.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3481 8.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 9.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1445 8.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4495 10.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 8.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5311 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2621 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 7.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0571 7.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8367 7.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 9.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0507 8.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7861 10.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3315 7.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5344 7.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 11.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1281 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 8.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3394 10.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 5.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 13.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5685 13.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 8.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 31 1 0 0 0 0 8 34 1 0 0 0 0 31 9 1 6 0 0 0 35 9 1 6 0 0 0 10 35 1 0 0 0 0 10 39 1 0 0 0 0 32 11 1 6 0 0 0 11 55 1 0 0 0 0 33 12 1 1 0 0 0 12 58 1 0 0 0 0 36 13 1 6 0 0 0 13 59 1 0 0 0 0 37 14 1 1 0 0 0 14 60 1 0 0 0 0 38 15 1 6 0 0 0 15 61 1 0 0 0 0 16 40 1 0 0 0 0 16 62 1 0 0 0 0 17 41 1 0 0 0 0 17 63 1 0 0 0 0 18 42 1 0 0 0 0 18 64 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 71 1 0 0 0 0 31 32 1 0 0 0 0 31 40 1 0 0 0 0 32 33 1 0 0 0 0 32 43 1 0 0 0 0 33 34 1 0 0 0 0 33 44 1 0 0 0 0 34 41 1 6 0 0 0 34 45 1 0 0 0 0 35 36 1 0 0 0 0 35 46 1 0 0 0 0 36 37 1 0 0 0 0 36 47 1 0 0 0 0 37 38 1 0 0 0 0 37 48 1 0 0 0 0 38 39 1 0 0 0 0 38 49 1 0 0 0 0 39 42 1 1 0 0 0 39 50 1 0 0 0 0 40 51 1 0 0 0 0 40 52 1 0 0 0 0 41 53 1 0 0 0 0 41 54 1 0 0 0 0 42 56 1 0 0 0 0 42 57 1 0 0 0 0 M CHG 8 1 3 2 3 3 3 4 3 5 3 6 1 7 1 22 -1 M CHG 8 23 -2 24 -2 25 -2 26 -2 27 -2 28 -2 29 -2 30 -2 M END $$$$ D01445 -OEChem-05252109572D 78 79 0 0 0 0 0 0 0999 V2000 7.3999 1.4526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 7.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0749 8.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 4.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 6.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 5.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 4.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5749 7.4065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 6.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 5.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 5.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5749 7.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 3.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5749 7.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 8.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5749 9.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0749 8.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 2.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 8.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 10.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0749 6.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0749 8.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5749 7.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0179 1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7089 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7089 0.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 6.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 6.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 5.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 6.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 6.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5983 5.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 4.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5515 5.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5983 5.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 4.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 7.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4672 8.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 2.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6855 3.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9968 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5983 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0499 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0499 9.5370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7649 6.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7649 8.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 8.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 8.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 10.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7649 10.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 9.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3849 6.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3849 8.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1949 7.4065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 1.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0733 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 5.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 4.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 6.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 6.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 3.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 7.4052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 34 1 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 3 21 2 0 0 0 0 4 35 1 0 0 0 0 4 75 1 0 0 0 0 5 38 1 0 0 0 0 5 76 1 0 0 0 0 6 38 2 0 0 0 0 7 39 1 0 0 0 0 7 77 1 0 0 0 0 8 40 1 0 0 0 0 8 78 1 0 0 0 0 9 39 2 0 0 0 0 10 40 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 28 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 29 1 0 0 0 0 24 57 1 0 0 0 0 25 30 2 0 0 0 0 25 58 1 0 0 0 0 26 32 2 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 2 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 40 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 M END $$$$ D01446 -OEChem-05252109572D 240240 0 1 0 0 0 0 0999 V2000 12.8537 0.0191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8537 -6.4450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0103 2.6581 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5213 -5.4815 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8890 7.3469 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4856 -0.2587 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0191 3.8335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1609 1.3402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4518 -9.9450 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.9232 -8.9815 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 13.3533 0.7616 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.3537 -2.5790 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8410 0.8916 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.0635 4.2618 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.8937 6.0507 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 15.3890 9.9450 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.8538 0.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8537 -3.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8890 3.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 -5.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8890 7.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 -1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 5.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 1.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8537 -1.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0785 1.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1217 -5.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8890 5.6149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 -2.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0308 5.8402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1024 0.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 3.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 -1.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6909 2.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6231 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0110 5.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7621 -4.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 7.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1577 -1.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 2.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -3.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4906 1.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2479 -3.9421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 4.2377 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9.4651 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2742 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6561 6.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 7.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8638 5.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 5.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3296 7.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 22 1 0 0 0 0 3 28 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 44 1 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 19 2 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 23 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 28 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$ D01448 -OEChem-05252109572D 24 24 0 0 0 0 0 0 0999 V2000 3.0000 0.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 4 13 2 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 M END $$$$ D01449 -OEChem-05252109572D 19 19 0 0 0 0 0 0 0999 V2000 3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 M END $$$$ D01452 -OEChem-05252109572D 27 29 0 0 0 0 0 0 0999 V2000 10.5309 1.5981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 20 1 0 0 0 0 4 27 1 0 0 0 0 5 20 2 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 26 1 0 0 0 0 M END $$$$ D01454 -OEChem-05252109572D 61 63 0 1 0 0 0 0 0999 V2000 2.0000 2.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.9260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.1940 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 0.0253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 2.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 3.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.8929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6985 3.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0714 3.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 3.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 -0.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 0.8404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4203 1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 21 1 0 0 0 0 5 27 1 0 0 0 0 6 23 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 37 1 0 0 0 0 8 15 1 0 0 0 0 8 23 2 0 0 0 0 9 17 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 33 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END $$$$ D01455 -OEChem-05252109572D 66 67 0 1 0 0 0 0 0999 V2000 7.8083 -0.4571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 -0.4571 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 4.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4344 2.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8653 2.6307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6743 2.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1743 3.5817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4833 2.6307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1743 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9142 2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6743 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 2.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 1.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 1.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -2.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0762 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -2.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0762 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8083 -4.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4269 3.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2267 1.7614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 3.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5803 2.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 3.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1095 4.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4257 1.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 1.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 0.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8951 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 3.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2714 0.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7593 3.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0984 1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 1.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0204 -2.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4189 -1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 2.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4415 1.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -0.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5393 -3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 -3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -2.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 -2.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -0.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -0.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5393 -4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 -4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 -5.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 10 3 1 1 0 0 0 3 42 1 0 0 0 0 11 4 1 1 0 0 0 4 43 1 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 23 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 1 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 6 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 41 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 31 2 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 M END $$$$ D01457 -OEChem-05252109572D 42 46 0 1 0 0 0 0 0999 V2000 7.9294 -3.1846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.2846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -4.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.1221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -1.7222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5307 -2.7638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.2154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3147 0.2846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -2.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0402 -1.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 -3.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 -3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 -2.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 -1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 1.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -3.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -3.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -0.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -1.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 3.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 2.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 28 1 0 0 0 0 3 22 2 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 15 2 0 0 0 0 8 27 1 0 0 0 0 9 27 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 29 1 1 0 0 0 11 16 1 1 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 25 1 0 0 0 0 19 33 1 0 0 0 0 20 26 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$ D01461 -OEChem-05252109572D 37 39 0 1 0 0 0 0 0999 V2000 6.9103 -3.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9103 -1.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4939 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 0.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 -0.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7057 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -1.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4477 -1.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6593 -1.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9548 -3.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9548 -2.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 6 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 M END $$$$ D01462 -OEChem-05252109572D 17 18 0 0 0 0 0 0 0999 V2000 2.0000 1.4416 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.4416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.3632 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 1.5555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 1.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 -1.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 M END $$$$ D01463 -OEChem-05252109572D 86 90 0 1 0 0 0 0 0999 V2000 8.9282 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 5.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 28 2 0 0 0 0 4 38 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 28 1 0 0 0 0 7 35 1 0 0 0 0 7 76 1 0 0 0 0 8 38 1 0 0 0 0 8 40 1 0 0 0 0 8 80 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 10 12 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 31 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 32 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 34 2 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 35 36 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 39 40 2 0 0 0 0 39 79 1 0 0 0 0 40 42 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 42 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 M END $$$$ D01465 -OEChem-05252109572D 121114 0 0 0 0 0 0 0999 V2000 13.1371 5.7331 0.0000 Tc 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 6.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.6360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6371 10.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 14.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 5.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 5.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.1360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 7.4651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 4.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 14.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 5.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 9.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 14.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 5.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6371 8.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6371 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 15.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 6.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 9.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 7.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 9.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 8.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 1.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 2.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2041 15.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2041 14.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1012 6.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1012 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 10.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 14.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 5.2331 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 4.8671 8.6360 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 12.6371 6.5991 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 13.6371 4.8671 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 15.3021 15.3691 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 14.0031 6.2331 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 10.1405 4.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 4.7581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 8.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 7.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1120 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1120 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9686 15.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 15.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1337 6.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3366 6.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 5.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7099 4.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7099 6.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4830 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 6.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 9.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 9.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 8.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 6.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 6.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 7.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 10.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 10.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9611 9.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6931 8.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 8.3872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3131 9.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6931 1.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5400 1.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3131 2.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5811 3.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9611 2.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 16.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 16.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6671 15.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6671 13.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5141 13.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7410 14.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6381 6.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4112 7.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5643 6.9091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5643 5.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7912 4.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6381 4.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 6.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 5.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 5.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 8.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 7.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 11.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8271 11.4662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 10.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4471 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2820 15.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 15.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 14.3322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6432 5.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8702 6.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0232 6.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 4.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 8.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0171 6.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2571 4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8391 15.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 6.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 38 1 0 0 0 0 3 15 1 0 0 0 0 3 39 1 0 0 0 0 4 16 1 0 0 0 0 4 40 1 0 0 0 0 5 17 1 0 0 0 0 5 41 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 2 0 0 0 0 9 21 1 0 0 0 0 9 45 2 0 0 0 0 10 22 1 0 0 0 0 10 46 2 0 0 0 0 11 23 1 0 0 0 0 11 47 2 0 0 0 0 12 24 1 0 0 0 0 12 48 2 0 0 0 0 13 25 1 0 0 0 0 13 49 2 0 0 0 0 14 20 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 22 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 23 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 36 94 1 0 0 0 0 37 95 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 38100 1 0 0 0 0 39101 1 0 0 0 0 39102 1 0 0 0 0 39103 1 0 0 0 0 40104 1 0 0 0 0 40105 1 0 0 0 0 40106 1 0 0 0 0 41107 1 0 0 0 0 41108 1 0 0 0 0 41109 1 0 0 0 0 42110 1 0 0 0 0 42111 1 0 0 0 0 42112 1 0 0 0 0 43113 1 0 0 0 0 43114 1 0 0 0 0 43115 1 0 0 0 0 44116 1 0 0 0 0 45117 1 0 0 0 0 46118 1 0 0 0 0 47119 1 0 0 0 0 48120 1 0 0 0 0 49121 1 0 0 0 0 M CHG 7 1 6 44 -1 45 -1 46 -1 47 -1 48 -1 49 -1 M END $$$$ D01467 -OEChem-05252109572D 42 46 0 1 0 0 0 0 0999 V2000 3.3521 -2.9812 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1274 -2.2740 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8345 -1.0493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8997 -1.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9911 2.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6641 -1.6871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1817 0.2448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2158 -0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5605 0.0746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9025 1.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5458 0.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 0.6666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9290 1.6325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7888 0.1578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5300 1.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1656 2.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2996 2.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9538 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5372 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9570 -0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 -2.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3180 -0.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7663 -2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0592 -1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -2.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2698 -0.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1932 1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0827 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7578 -0.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4078 -0.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7090 2.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0089 -0.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 1.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7620 2.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0641 3.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7774 0.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4444 0.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1707 -2.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 -0.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 -3.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 18 2 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 6 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 1 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 6 0 0 0 15 19 1 0 0 0 0 15 35 1 6 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$ D01468 -OEChem-05252109572D 516520 0 1 0 0 0 0 0999 V2000 17.7953 -5.1550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.2594 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9959 11.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5273 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2639 14.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 14.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9959 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 14.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 11.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 11.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2639 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2594 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2594 -6.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 11.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1299 9.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 14.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6613 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5273 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 7.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6658 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 13.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 11.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3933 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9337 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 15.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 14.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 4.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0632 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1972 -11.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9292 -11.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -5.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1972 -6.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -9.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -9.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -16.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -13.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3356 -13.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 -16.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 -12.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 -13.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 -13.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5318 -16.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7280 12.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5273 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9959 13.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7998 12.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7953 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2639 12.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5318 13.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9959 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7280 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0677 13.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1022 4.0131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2639 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5273 -8.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 12.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5318 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8619 9.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 10.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7953 -7.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7998 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7953 8.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 6.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0632 -8.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0677 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3356 -1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5273 -10.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3312 -7.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7998 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 9.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -8.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 9.3450 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0 0 0 0 0 0 0 0 0 11.1200 4.9501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 15.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 15.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5219 15.1822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 15.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0828 15.8893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 16.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5774 18.3211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 16.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 21.6822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 6.6822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9860 6.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1200 7.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 8.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8521 6.6822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1200 6.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 9.6822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2540 9.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7181 6.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 10.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3879 9.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6200 5.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3879 10.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1200 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5219 11.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 12.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 4.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6200 4.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8520 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 3.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 14.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 3.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9860 15.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6200 2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 2.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3879 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 15.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2540 15.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 12.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3880 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5219 12.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3880 15.6822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5841 15.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3162 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 13.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 14.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5219 14.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 12.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1822 14.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7899 14.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1822 15.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7899 15.1822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1291 16.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 15.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 16.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 15.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 15.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 17.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 17.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 17.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 18.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1822 17.1822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1168 15.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 18.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4098 16.3376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1822 18.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 18.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 18.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6686 17.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9615 18.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 19.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 18.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1822 20.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1967 17.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 19.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 18.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9955 17.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1822 21.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7367 16.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0482 22.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5230 5.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9079 8.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5094 7.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4491 8.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3890 6.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 7.3022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 6.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1200 6.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9300 5.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1200 9.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7170 8.8722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4081 5.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2550 5.8722 0.0000 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 9.2191 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 7.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.4650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 9.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5492 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4153 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 12.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9036 11.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7345 9.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2345 10.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3278 8.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5492 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1410 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7425 4.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 12.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4881 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7747 11.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6179 10.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7614 8.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0756 7.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8942 8.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 2.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 1.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 7.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 9.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 8.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 10.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 18 5 1 6 0 0 0 5 31 1 0 0 0 0 6 38 1 0 0 0 0 6 43 1 0 0 0 0 7 38 2 0 0 0 0 8 48 2 0 0 0 0 9 53 1 0 0 0 0 9 88 1 0 0 0 0 10 53 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 36 1 0 0 0 0 12 39 2 0 0 0 0 23 13 1 6 0 0 0 13 68 1 0 0 0 0 13 69 1 0 0 0 0 14 30 1 0 0 0 0 14 41 2 0 0 0 0 15 31 2 0 0 0 0 15 41 1 0 0 0 0 16 41 1 0 0 0 0 16 75 1 0 0 0 0 16 76 1 0 0 0 0 17 48 1 0 0 0 0 17 52 1 0 0 0 0 17 84 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 38 1 0 0 0 0 23 57 1 0 0 0 0 25 32 2 0 0 0 0 25 58 1 0 0 0 0 26 35 2 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 33 1 0 0 0 0 28 60 1 0 0 0 0 29 34 2 0 0 0 0 29 61 1 0 0 0 0 30 37 2 0 0 0 0 31 37 1 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 36 40 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 40 67 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 43 44 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 46 49 1 0 0 0 0 46 80 1 0 0 0 0 47 50 2 0 0 0 0 47 81 1 0 0 0 0 49 51 2 0 0 0 0 49 82 1 0 0 0 0 50 51 1 0 0 0 0 50 83 1 0 0 0 0 51 85 1 0 0 0 0 52 53 1 0 0 0 0 52 86 1 0 0 0 0 52 87 1 0 0 0 0 M END $$$$ D01471 -OEChem-05252109572D 160163 0 1 0 0 0 0 0999 V2000 5.1177 2.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 3.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0811 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 -4.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6916 -3.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 3.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2055 -2.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 -1.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0194 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8113 -2.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 6.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 5.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6377 -4.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -2.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -4.2627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 -1.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8492 0.1425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9834 0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7154 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8491 -0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9836 1.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8498 2.1424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7156 1.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 -1.7238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2151 -1.2237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3491 -2.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 -0.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -0.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9840 3.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5512 -3.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6774 -3.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9842 4.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 1.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 -0.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4329 -3.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5434 -5.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4289 -4.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -0.4825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6774 -2.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6774 -5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 -2.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1880 -2.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 5.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 4.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9842 4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8113 -5.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2583 0.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 -1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9453 -5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 -1.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -2.0556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9453 -6.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 -5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 -2.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6980 -3.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 -3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8831 -4.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2133 -5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -4.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8831 -5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 -5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 -5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 -2.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 0.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7712 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 0.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -0.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 -0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 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62142 1 0 0 0 0 63 64 1 0 0 0 0 64 66 1 0 0 0 0 64 68 1 1 0 0 0 64143 1 0 0 0 0 65 69 2 0 0 0 0 65144 1 0 0 0 0 66 67 1 0 0 0 0 66146 1 0 0 0 0 66147 1 0 0 0 0 67 70 1 0 0 0 0 67 73 1 6 0 0 0 67148 1 0 0 0 0 68149 1 0 0 0 0 68150 1 0 0 0 0 68151 1 0 0 0 0 69 72 1 0 0 0 0 69152 1 0 0 0 0 70 72 2 0 0 0 0 70153 1 0 0 0 0 71154 1 0 0 0 0 71155 1 0 0 0 0 71156 1 0 0 0 0 72160 1 0 0 0 0 73157 1 0 0 0 0 73158 1 0 0 0 0 73159 1 0 0 0 0 M END $$$$ D01472 -OEChem-05252109572D 140145 0 1 0 0 0 0 0999 V2000 3.7817 16.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.2362 -16.7846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 13.7259 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -13.7259 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 10.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2526 -10.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 11.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7622 9.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7526 -9.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7526 -11.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5205 -7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 15.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 22.8506 -15.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1282 10.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 -10.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 13.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9846 -13.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3961 14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8506 -14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 -14.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 15.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 -15.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 15.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 -15.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 12.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 -12.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 13.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2246 -13.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 15.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7167 -15.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 15.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2246 -15.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8506 -12.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 14.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 -14.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 15.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1186 -11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 -15.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8506 -11.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 -10.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5205 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6545 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7885 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 13.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5215 -13.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 13.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 14.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4612 -14.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0627 -13.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 16.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 16.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5861 -16.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3831 -16.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 13.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2318 -13.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5722 15.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 16.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 16.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4067 -16.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2536 -16.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0267 -15.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 12.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5816 -12.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 12.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3876 -12.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 15.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7828 -15.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 10.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3876 -10.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 10.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 -10.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 10.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8496 -10.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5176 9.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 8.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9971 -9.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5986 -8.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6048 8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2063 9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9099 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3085 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0439 -7.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4424 -7.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2497 6.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 5.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2651 -6.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8665 -5.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8010 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4024 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3990 -4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0005 -4.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5364 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5798 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9783 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2029 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8044 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3119 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7104 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9214 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5933 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4594 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 3 47 1 0 0 0 0 4 48 1 0 0 0 0 5 7 2 0 0 0 0 5 8 2 0 0 0 0 5 19 1 0 0 0 0 5 49 1 0 0 0 0 6 9 2 0 0 0 0 6 10 2 0 0 0 0 6 20 1 0 0 0 0 6 51 1 0 0 0 0 11 59 1 0 0 0 0 11 61 1 0 0 0 0 12 60 1 0 0 0 0 12 62 1 0 0 0 0 13 63 1 0 0 0 0 13 67 1 0 0 0 0 14 64 1 0 0 0 0 14 68 1 0 0 0 0 15 73 2 0 0 0 0 16 74 2 0 0 0 0 17 27 1 0 0 0 0 17 31 1 0 0 0 0 17 39 1 0 0 0 0 18 28 1 0 0 0 0 18 32 1 0 0 0 0 18 40 1 0 0 0 0 19 57 1 0 0 0 0 19103 1 0 0 0 0 20 58 1 0 0 0 0 20104 1 0 0 0 0 21 69 1 0 0 0 0 21 73 1 0 0 0 0 21137 1 0 0 0 0 22 70 1 0 0 0 0 22 74 1 0 0 0 0 22138 1 0 0 0 0 23 71 1 0 0 0 0 23 73 1 0 0 0 0 23139 1 0 0 0 0 24 72 1 0 0 0 0 24 74 1 0 0 0 0 24140 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 35 1 1 0 0 0 25 75 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 36 1 6 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 33 2 0 0 0 0 29 37 1 0 0 0 0 30 34 2 0 0 0 0 30 38 1 0 0 0 0 31 33 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 34 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 2 0 0 0 0 35 45 1 0 0 0 0 36 44 2 0 0 0 0 36 46 1 0 0 0 0 37 47 2 0 0 0 0 37 85 1 0 0 0 0 38 48 2 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 50 2 0 0 0 0 42 52 2 0 0 0 0 43 49 1 0 0 0 0 43 93 1 0 0 0 0 44 51 1 0 0 0 0 44 94 1 0 0 0 0 45 53 2 0 0 0 0 45 95 1 0 0 0 0 46 54 2 0 0 0 0 46 96 1 0 0 0 0 47 50 1 0 0 0 0 48 52 1 0 0 0 0 49 55 2 0 0 0 0 50 97 1 0 0 0 0 51 56 2 0 0 0 0 52 98 1 0 0 0 0 53 55 1 0 0 0 0 53 99 1 0 0 0 0 54 56 1 0 0 0 0 54100 1 0 0 0 0 55101 1 0 0 0 0 56102 1 0 0 0 0 57 59 1 0 0 0 0 57105 1 0 0 0 0 57106 1 0 0 0 0 58 60 1 0 0 0 0 58107 1 0 0 0 0 58108 1 0 0 0 0 59109 1 0 0 0 0 59110 1 0 0 0 0 60111 1 0 0 0 0 60112 1 0 0 0 0 61 63 1 0 0 0 0 61113 1 0 0 0 0 61114 1 0 0 0 0 62 64 1 0 0 0 0 62115 1 0 0 0 0 62116 1 0 0 0 0 63117 1 0 0 0 0 63118 1 0 0 0 0 64119 1 0 0 0 0 64120 1 0 0 0 0 65 66 1 0 0 0 0 65 69 1 0 0 0 0 65121 1 0 0 0 0 65122 1 0 0 0 0 66 70 1 0 0 0 0 66123 1 0 0 0 0 66124 1 0 0 0 0 67 71 1 0 0 0 0 67125 1 0 0 0 0 67126 1 0 0 0 0 68 72 1 0 0 0 0 68127 1 0 0 0 0 68128 1 0 0 0 0 69129 1 0 0 0 0 69130 1 0 0 0 0 70131 1 0 0 0 0 70132 1 0 0 0 0 71133 1 0 0 0 0 71134 1 0 0 0 0 72135 1 0 0 0 0 72136 1 0 0 0 0 M END $$$$ D01477 -OEChem-05252109572D 67 71 0 1 0 0 0 0 0999 V2000 3.4403 -1.6897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -4.6897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -0.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 0.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6403 1.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 3.4026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4446 2.7846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.3296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 2.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 3.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -0.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2977 3.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 0.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6724 0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 2.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5056 4.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 3.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 1.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 3.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 1.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -2.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7993 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -3.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 4.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 4.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 1.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 2.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 4.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 3.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 1.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1688 3.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -1.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -0.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 0.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1121 4.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6345 5.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8992 4.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6260 2.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5016 2.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4557 3.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 1.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8793 3.7511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -1.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 0.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 3.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -3.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -3.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 35 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 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0 0 0 0 36 67 1 0 0 0 0 M END $$$$ D01478 -OEChem-05252109572D 735736 0 1 0 0 0 0 0999 V2000 37.7760 49.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 42.9722 37.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5081 38.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.1062 33.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5703 32.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3741 41.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.7760 46.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9100 42.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.4985 15.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.9626 14.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.7042 29.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 55.0965 11.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9100 38.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.3645 19.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0081 43.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3119 47.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5081 44.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.5606 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.1683 28.1200 0.0000 O 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0 0 0 0 294613 1 0 0 0 0 295304 1 0 0 0 0 295305 1 0 0 0 0 295614 1 0 0 0 0 296297 1 0 0 0 0 296299 1 0 0 0 0 296615 1 0 0 0 0 297300 1 0 0 0 0 297617 1 0 0 0 0 297618 1 0 0 0 0 298619 1 0 0 0 0 298620 1 0 0 0 0 298621 1 0 0 0 0 300310 1 0 0 0 0 300624 1 0 0 0 0 300625 1 0 0 0 0 301302 1 0 0 0 0 301308 1 0 0 0 0 301626 1 0 0 0 0 304628 1 0 0 0 0 304629 1 0 0 0 0 304630 1 0 0 0 0 305631 1 0 0 0 0 305632 1 0 0 0 0 305633 1 0 0 0 0 306313 1 0 0 0 0 306316 1 0 0 0 0 306634 1 0 0 0 0 308317 1 0 0 0 0 308638 1 0 0 0 0 308639 1 0 0 0 0 309311 1 0 0 0 0 309319 1 0 0 0 0 309637 1 0 0 0 0 310641 1 0 0 0 0 310642 1 0 0 0 0 312314 1 0 0 0 0 312315 1 0 0 0 0 312644 1 0 0 0 0 313320 1 0 0 0 0 313645 1 0 0 0 0 313646 1 0 0 0 0 314318 1 0 0 0 0 314647 1 0 0 0 0 314648 1 0 0 0 0 317332 2 0 0 0 0 317333 1 0 0 0 0 318325 1 0 0 0 0 318651 1 0 0 0 0 318652 1 0 0 0 0 319653 1 0 0 0 0 319654 1 0 0 0 0 319655 1 0 0 0 0 320344 1 0 0 0 0 320656 1 0 0 0 0 320657 1 0 0 0 0 321337 1 0 0 0 0 321339 1 0 0 0 0 321662 1 0 0 0 0 322331 1 0 0 0 0 322335 1 0 0 0 0 322664 1 0 0 0 0 323327 1 0 0 0 0 323342 1 0 0 0 0 323665 1 0 0 0 0 324334 1 0 0 0 0 324336 1 0 0 0 0 324666 1 0 0 0 0 325667 1 0 0 0 0 325668 1 0 0 0 0 326340 1 0 0 0 0 327338 1 0 0 0 0 327669 1 0 0 0 0 327670 1 0 0 0 0 328329 1 0 0 0 0 329351 1 0 0 0 0 329671 1 0 0 0 0 330341 1 0 0 0 0 330345 1 0 0 0 0 330674 1 0 0 0 0 331346 1 0 0 0 0 331672 1 0 0 0 0 331673 1 0 0 0 0 332348 1 0 0 0 0 332675 1 0 0 0 0 333349 2 0 0 0 0 333676 1 0 0 0 0 334347 1 0 0 0 0 334677 1 0 0 0 0 334678 1 0 0 0 0 338350 1 0 0 0 0 338681 1 0 0 0 0 338682 1 0 0 0 0 339684 1 0 0 0 0 339685 1 0 0 0 0 340355 1 0 0 0 0 340687 1 0 0 0 0 340688 1 0 0 0 0 345356 1 0 0 0 0 345689 1 0 0 0 0 345690 1 0 0 0 0 346359 1 0 0 0 0 346691 1 0 0 0 0 346692 1 0 0 0 0 347357 1 0 0 0 0 347693 1 0 0 0 0 347694 1 0 0 0 0 348352 2 0 0 0 0 348695 1 0 0 0 0 349352 1 0 0 0 0 349696 1 0 0 0 0 350699 1 0 0 0 0 350700 1 0 0 0 0 351701 1 0 0 0 0 351702 1 0 0 0 0 351703 1 0 0 0 0 353354 1 0 0 0 0 353705 1 0 0 0 0 353706 1 0 0 0 0 355360 2 0 0 0 0 355707 1 0 0 0 0 360361 1 0 0 0 0 360714 1 0 0 0 0 361363 1 0 0 0 0 361716 1 0 0 0 0 361717 1 0 0 0 0 363726 1 0 0 0 0 363727 1 0 0 0 0 363728 1 0 0 0 0 364365 1 0 0 0 0 364732 1 0 0 0 0 364733 1 0 0 0 0 364734 1 0 0 0 0 M END $$$$ D01479 -OEChem-05252109572D 43 43 0 0 0 0 0 0 0999 V2000 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 26 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 M END $$$$ D01480 -OEChem-05252109572D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Tl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M ISO 1 1 201 M END $$$$ D01482 -OEChem-05252109572D 23 25 0 0 0 0 0 0 0999 V2000 4.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7834 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 -2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9486 -1.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ D01485 -OEChem-05252109572D 41 41 0 1 0 0 0 0 0999 V2000 8.9192 0.3843 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 0.1044 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 3.8790 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.8681 -3.8790 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2542 -1.6374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 -2.9280 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2064 -2.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 -0.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1372 2.9136 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8094 2.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 -0.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 0.7880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9681 0.0753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5070 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 -1.2338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9598 0.0794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9598 -0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3160 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3160 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2282 -2.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2878 0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 1.2397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6156 0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8398 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8369 0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4808 -1.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1989 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -0.3386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8176 0.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9516 0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9516 -1.5141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8176 -1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6804 -0.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4159 1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 1.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8735 2.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -0.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 5 17 2 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 24 1 0 0 0 0 10 24 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 16 12 1 1 0 0 0 12 21 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 6 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 1 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ D01488 -OEChem-05252109572D 36 38 0 1 0 0 0 0 0999 V2000 3.5827 -0.8318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.8318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 3.8318 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.3706 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.2070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1808 0.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9898 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3717 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 3.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 0.0856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 0.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 1.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6608 2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 2.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7821 2.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0452 3.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 14 20 2 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$ D01489 -OEChem-05252109572D 61 64 0 0 0 0 0 0 0999 V2000 17.5885 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 26 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 56 1 0 0 0 0 6 20 2 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 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0 0 0 0 3.1350 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 9.7741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 6.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 6.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 4.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3671 7.1760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 6.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 10.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 6.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7331 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6350 7.1760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6350 7.1760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1350 8.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 8.9081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6350 8.9081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4287 6.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 6.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 7.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 7.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 7.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 8.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 7.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 8.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 8.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 9.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 10.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 5.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 9.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 11.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 10.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 5.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 2 0 0 0 0 1 14 2 0 0 0 0 20 2 1 6 0 0 0 26 2 1 6 0 0 0 21 3 1 6 0 0 0 27 3 1 6 0 0 0 22 4 1 1 0 0 0 4 60 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 6 27 1 0 0 0 0 6 35 1 0 0 0 0 28 7 1 6 0 0 0 7 69 1 0 0 0 0 31 8 1 6 0 0 0 8 70 1 0 0 0 0 34 9 1 6 0 0 0 9 71 1 0 0 0 0 10 36 1 0 0 0 0 10 74 1 0 0 0 0 11 75 1 0 0 0 0 12 76 1 0 0 0 0 23 15 1 1 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 24 16 1 1 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 29 17 1 6 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 30 18 1 1 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 37 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 33 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 36 1 1 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 37 1 1 0 0 0 35 59 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 M END $$$$ D01496 -OEChem-05252109572D 97105 0 1 0 0 0 0 0999 V2000 7.3197 -1.0576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 1.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -1.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3193 -3.6416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 -2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 -3.2186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2941 -2.8340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -5.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8997 4.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 0.0544 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2754 2.3094 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.3023 0.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5321 -0.5048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7532 0.3609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0120 1.3268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9787 1.0157 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4755 -1.5448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7600 -0.3877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4436 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0248 -0.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 -2.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 0.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2754 3.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 -1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 -1.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7801 -0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6744 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3841 0.7808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6129 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -3.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -1.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9509 -1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 1.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 1.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4464 -4.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1044 0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 2.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8859 -1.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 1.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3053 2.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2611 -4.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9652 3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 3.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2263 -3.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 3.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0965 -5.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1368 4.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 -1.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 0.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3701 0.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4293 -2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -0.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0514 1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 1.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 1.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 0.4793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8954 3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2754 3.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -0.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1857 0.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4774 -2.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5726 -1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5084 -2.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8278 -4.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4056 -5.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -4.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3826 0.4278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6984 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6659 -2.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 -1.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1059 -0.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6073 1.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1313 2.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8123 1.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 3.7720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0018 -3.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 -3.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 -2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7558 -5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 -5.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4373 -4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3985 5.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 4.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 5.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 4.5165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 33 1 0 0 0 0 19 2 1 1 0 0 0 2 68 1 0 0 0 0 3 27 1 0 0 0 0 3 39 1 0 0 0 0 4 30 1 0 0 0 0 4 41 1 0 0 0 0 5 31 1 0 0 0 0 5 48 1 0 0 0 0 6 29 1 0 0 0 0 6 73 1 0 0 0 0 7 35 1 0 0 0 0 7 41 1 0 0 0 0 8 37 1 0 0 0 0 8 51 1 0 0 0 0 9 39 2 0 0 0 0 10 50 1 0 0 0 0 10 54 1 0 0 0 0 11 48 2 0 0 0 0 12 52 1 0 0 0 0 12 94 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 34 15 1 1 0 0 0 15 43 1 0 0 0 0 15 72 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 55 1 1 0 0 0 17 23 1 0 0 0 0 17 56 1 1 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 57 1 6 0 0 0 19 58 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 1 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 21 60 1 1 0 0 0 22 26 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 26 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 31 2 0 0 0 0 25 30 2 0 0 0 0 26 32 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 37 2 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 32 38 2 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 35 36 2 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 38 45 1 0 0 0 0 40 44 1 0 0 0 0 40 47 2 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 46 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 44 46 1 0 0 0 0 44 49 2 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 46 85 1 0 0 0 0 47 50 1 0 0 0 0 47 86 1 0 0 0 0 48 53 1 0 0 0 0 49 52 1 0 0 0 0 49 87 1 0 0 0 0 50 52 2 0 0 0 0 51 88 1 0 0 0 0 51 89 1 0 0 0 0 51 90 1 0 0 0 0 53 91 1 0 0 0 0 53 92 1 0 0 0 0 53 93 1 0 0 0 0 54 95 1 0 0 0 0 54 96 1 0 0 0 0 54 97 1 0 0 0 0 M END $$$$ D01501 -OEChem-05252109572D 55 58 0 1 0 0 0 0 0999 V2000 5.0182 -0.2293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.0046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.9954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.9954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 0.3094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.0046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9229 -0.4954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.8406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -0.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.7210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2329 -1.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 12 2 1 6 0 0 0 2 48 1 0 0 0 0 15 3 1 1 0 0 0 3 49 1 0 0 0 0 16 4 1 6 0 0 0 4 50 1 0 0 0 0 5 22 2 0 0 0 0 6 26 1 0 0 0 0 6 55 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 1 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 6 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 30 1 1 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 1 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 25 2 0 0 0 0 22 26 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 2 0 0 0 0 24 47 1 0 0 0 0 25 28 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$ D01502 -OEChem-05252109572D 30 32 0 0 0 0 0 0 0999 V2000 3.7320 2.3030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6970 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6970 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 1.3030 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 2.1077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 2.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 0.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -0.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 M END $$$$ D01504 -OEChem-05252109572D 67 70 0 0 0 0 0 0 0999 V2000 6.1808 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 3.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 3.1495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.7661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 1.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.6096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 2.0307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3158 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7913 -2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -2.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9138 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 2 66 1 0 0 0 0 3 34 1 0 0 0 0 3 67 1 0 0 0 0 4 34 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 43 1 0 0 0 0 14 19 2 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 29 32 2 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 M END $$$$ D01507 -OEChem-05252109572D 19 18 0 0 0 0 0 0 0999 V2000 5.1350 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ D01508 -OEChem-05252109572D 41 42 0 1 0 0 0 0 0999 V2000 5.1350 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 10 1 0 0 0 0 2 39 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 21 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ D01509 -OEChem-05252109572D 54 57 0 1 0 0 0 0 0999 V2000 5.0729 1.0369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 9.9381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.9140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 1.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 0.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 7.8898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6077 6.1758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 7.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.9140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7432 6.6832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2465 7.5473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7436 6.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 6.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5802 8.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 8.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 9.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.4140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 5.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 8.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5808 6.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 6.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 6.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 8.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 8.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1458 6.4837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 5.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 10.5686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 8.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.1040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8969 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5169 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 35 1 0 0 0 0 2 21 1 0 0 0 0 3 29 1 0 0 0 0 4 34 1 0 0 0 0 5 25 2 0 0 0 0 6 31 1 0 0 0 0 6 50 1 0 0 0 0 7 31 2 0 0 0 0 8 54 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 20 1 0 0 0 0 13 22 2 0 0 0 0 14 22 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 6 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 6 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 32 34 2 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 35 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 M END $$$$ D01510 -OEChem-05252109572D 60 65 0 0 0 0 0 0 0999 V2000 4.3442 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2359 -2.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 1.1031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -0.0247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 3.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 1.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8512 -0.5948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 -1.9104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8009 -0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 -2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6438 -1.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3757 -1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5271 -0.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3873 -0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4924 -3.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1077 -1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9679 -2.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8396 -1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1192 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9910 -0.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3751 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5576 3.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 1.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 0.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 0.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.3899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 2.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2547 -0.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5343 0.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9278 -0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 2.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4853 -3.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1124 -3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9607 -2.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5859 -0.2586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9982 0.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9951 -1.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 11 1 0 0 0 0 3 15 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 45 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 5 49 1 0 0 0 0 6 20 1 0 0 0 0 6 29 2 0 0 0 0 7 21 2 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 35 1 0 0 0 0 9 33 2 0 0 0 0 9 36 1 0 0 0 0 10 36 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 30 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M END $$$$ D01511 -OEChem-05252109582D 66 71 0 1 0 0 0 0 0999 V2000 7.3540 5.9326 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 6.2934 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6259 4.9259 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 2.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 0.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4966 3.6972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0341 -5.5086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 1.1011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5688 -1.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7191 -6.2934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 -3.9698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 2.8254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7251 -3.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3432 -3.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 3.6934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5033 1.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5033 1.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0341 -2.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3432 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0341 -2.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7251 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0341 -5.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 4.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 -1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 4.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3586 -4.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 0.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -0.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 3.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 5.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0615 -5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7396 -6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 3.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 -3.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6532 -3.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9096 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 4.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 1.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 1.4271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 4.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 5.0932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 4.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6697 -6.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8795 -1.5442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4698 4.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 4.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 1.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5433 -3.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 -0.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 4.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6674 -4.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1527 -6.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 4.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 1.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 6 31 2 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 53 1 0 0 0 0 18 9 1 1 0 0 0 9 31 1 0 0 0 0 9 57 1 0 0 0 0 10 21 1 0 0 0 0 10 32 2 0 0 0 0 11 25 1 0 0 0 0 11 37 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 1 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 1 0 0 0 13 41 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 21 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 26 1 1 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 23 1 0 0 0 0 18 49 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 25 2 0 0 0 0 20 30 1 0 0 0 0 24 33 2 0 0 0 0 24 34 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 35 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 36 2 0 0 0 0 30 58 1 0 0 0 0 32 59 1 0 0 0 0 33 38 1 0 0 0 0 33 60 1 0 0 0 0 34 39 2 0 0 0 0 34 61 1 0 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 38 40 2 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 M END $$$$ D01512 -OEChem-05252109582D 66 70 0 0 0 0 0 0 0999 V2000 5.1289 -1.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 1.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -0.6471 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7147 -1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 -2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 -3.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8701 -3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -3.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2664 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5773 -4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5432 -4.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 -4.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6818 2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6478 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 3.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 3.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 4.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1995 4.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4322 0.7415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -0.0978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -2.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -2.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -0.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -1.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 0.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 1.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -1.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -0.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 0.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 -0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8159 0.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 -1.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2553 -2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 -4.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2713 -4.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5883 -2.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4009 -3.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 -5.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 -5.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4428 -3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4771 1.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0407 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 -4.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -4.8797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 2.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 4.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 4.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 5.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 49 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 18 22 2 0 0 0 0 18 52 1 0 0 0 0 19 23 2 0 0 0 0 19 53 1 0 0 0 0 20 25 2 0 0 0 0 20 54 1 0 0 0 0 21 26 2 0 0 0 0 21 55 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 M CHG 1 3 1 M END $$$$ D01513 -OEChem-05252109582D 46 49 0 1 0 0 0 0 0999 V2000 2.0000 -4.1496 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 -4.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -2.8285 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6514 -2.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -0.9353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 2.2601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 2.0930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -2.3383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0583 4.2601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 4.0648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 0.6468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5997 0.5440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1998 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -0.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 1.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2675 1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 1.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2563 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 2.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 3.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9244 3.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 -3.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 3.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -3.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9418 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 1.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 0.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 -0.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 -0.9998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3986 -0.2412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9948 2.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 2.1302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 1.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 0.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 0.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 -1.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 1.8661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -3.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -3.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 4.6542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0425 3.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 17 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 8 40 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 22 1 0 0 0 0 10 26 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 1 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 29 1 6 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 19 2 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$ D01514 -OEChem-05252109582D 44 45 0 1 0 0 0 0 0999 V2000 6.2633 -0.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 -2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -2.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1863 1.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 -3.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -1.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 4.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7176 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 1.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 2.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9543 -1.5036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6453 -0.5526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9543 -1.5036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4543 0.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5421 -2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7732 -3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5883 2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1854 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1189 -2.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 -1.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 0.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -1.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9018 0.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9848 -2.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -2.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8572 2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 -3.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -4.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -4.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -0.0140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -1.1933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 -3.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7355 -2.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 -2.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 1 0 0 0 2 19 1 0 0 0 0 13 3 1 1 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 17 2 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 15 10 1 6 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 6 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 26 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$ D01515 -OEChem-05252109582D 132134 0 1 0 0 0 0 0999 V2000 8.5991 -1.3891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.8891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 1.4655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7101 5.0691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5663 -2.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 -2.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 5.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.8891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4317 2.7527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0159 4.7090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.3891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.3891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.3891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 6.9743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8965 1.1054 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9184 1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6396 1.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1749 3.4218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1259 3.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8691 3.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 4.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -5.8891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -4.8891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8201 3.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6612 4.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -6.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -3.6231 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 -4.3891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8080 5.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.8891 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -3.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1436 -4.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 5.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -4.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -4.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4753 0.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 0.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 -0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5859 -0.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3975 -0.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 2.9443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5852 3.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 2.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6145 2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -2.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -2.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2794 3.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -5.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6286 2.8832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4098 3.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 4.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2676 4.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 5.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 4.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -5.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -6.4968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 4.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -3.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0212 -6.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -6.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6412 -5.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 -3.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -4.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 5.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8943 6.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -7.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -8.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -7.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -5.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -5.3641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -3.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 -3.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -4.2283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3556 -4.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1769 -2.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -1.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -5.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 7.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 7.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -4.6991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -3.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 2 56 1 0 0 0 0 3 30 2 0 0 0 0 4 31 2 0 0 0 0 5 37 2 0 0 0 0 6 38 2 0 0 0 0 7 47 2 0 0 0 0 8 50 1 0 0 0 0 8121 1 0 0 0 0 9 49 2 0 0 0 0 10 52 2 0 0 0 0 11 58 2 0 0 0 0 12 60 2 0 0 0 0 13 62 2 0 0 0 0 14 67 1 0 0 0 0 14132 1 0 0 0 0 15 26 1 0 0 0 0 15 29 1 0 0 0 0 15 31 1 0 0 0 0 16 30 1 0 0 0 0 16 33 1 0 0 0 0 16 76 1 0 0 0 0 17 32 1 0 0 0 0 17 38 1 0 0 0 0 17 83 1 0 0 0 0 18 37 1 0 0 0 0 18 53 1 0 0 0 0 18 96 1 0 0 0 0 19 39 1 0 0 0 0 19 49 1 0 0 0 0 19 97 1 0 0 0 0 20 41 1 0 0 0 0 20 52 1 0 0 0 0 20100 1 0 0 0 0 21 44 1 0 0 0 0 21 47 1 0 0 0 0 21104 1 0 0 0 0 22 51 1 0 0 0 0 22 60 1 0 0 0 0 22117 1 0 0 0 0 23 57 1 0 0 0 0 23122 1 0 0 0 0 23123 1 0 0 0 0 24 58 1 0 0 0 0 24124 1 0 0 0 0 24125 1 0 0 0 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1 0 0 0 0 54109 1 0 0 0 0 54110 1 0 0 0 0 54111 1 0 0 0 0 55 61 1 0 0 0 0 55112 1 0 0 0 0 55113 1 0 0 0 0 56 57 1 0 0 0 0 56114 1 0 0 0 0 56115 1 0 0 0 0 57 60 1 0 0 0 0 57116 1 0 0 0 0 59118 1 0 0 0 0 59119 1 0 0 0 0 59120 1 0 0 0 0 61 63 2 0 0 0 0 61 64 1 0 0 0 0 63 65 1 0 0 0 0 63126 1 0 0 0 0 64 66 2 0 0 0 0 64127 1 0 0 0 0 65 67 2 0 0 0 0 65130 1 0 0 0 0 66 67 1 0 0 0 0 66131 1 0 0 0 0 M END $$$$ D01518 -OEChem-05252109582D 64 69 0 1 0 0 0 0 0999 V2000 3.3100 6.5439 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -3.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -1.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -5.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -4.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 0.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.0439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.5439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -6.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2447 -5.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2447 -4.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -4.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -4.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.5439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3100 1.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1222 -4.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7058 -5.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 3.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1222 -6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -5.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7058 -5.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 4.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 4.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 -6.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 5.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 5.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0537 -6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -2.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -3.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -3.5387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -2.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 -1.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -2.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -2.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -1.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3149 -6.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 1.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 1.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 1.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 2.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 3.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -6.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 3.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 -6.8548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 -4.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 5.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 5.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6893 -7.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5553 -6.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4181 -6.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 16 2 0 0 0 0 5 28 1 0 0 0 0 6 17 2 0 0 0 0 6 25 1 0 0 0 0 7 17 1 0 0 0 0 7 26 2 0 0 0 0 19 8 1 6 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 37 1 0 0 0 0 11 33 2 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 18 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 27 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 55 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 30 56 1 0 0 0 0 31 35 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 36 2 0 0 0 0 34 60 1 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 M END $$$$ D01519 -OEChem-05252109582D 140143 0 1 0 0 0 0 0999 V2000 9.2966 0.0619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1627 0.5619 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7306 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 0.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 3.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 -0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -4.4381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 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6.6986 -7.4381 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 2.1497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1986 3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1986 3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 2.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5646 0.0619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4033 3.4880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4306 0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3543 3.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 4.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 4.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -2.4381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5133 5.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 -2.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 -4.4381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5646 -3.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 5.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 -5.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 50 53 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 52 54 1 0 0 0 0 52 57 1 1 0 0 0 52107 1 0 0 0 0 53 60 1 0 0 0 0 53109 1 0 0 0 0 55 58 1 0 0 0 0 55 61 1 1 0 0 0 55110 1 0 0 0 0 56 64 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57 63 1 0 0 0 0 57113 1 0 0 0 0 57114 1 0 0 0 0 61 65 1 0 0 0 0 61116 1 0 0 0 0 61117 1 0 0 0 0 63 66 2 0 0 0 0 63 67 1 0 0 0 0 65 68 2 0 0 0 0 65 69 1 0 0 0 0 66 70 1 0 0 0 0 66123 1 0 0 0 0 67 71 2 0 0 0 0 67124 1 0 0 0 0 68 73 1 0 0 0 0 68127 1 0 0 0 0 69 74 2 0 0 0 0 69128 1 0 0 0 0 70 72 2 0 0 0 0 70135 1 0 0 0 0 71 72 1 0 0 0 0 71136 1 0 0 0 0 72137 1 0 0 0 0 73 75 2 0 0 0 0 73138 1 0 0 0 0 74 75 1 0 0 0 0 74139 1 0 0 0 0 M END $$$$ D01524 -OEChem-05252109582D 61 65 0 1 0 0 0 0 0999 V2000 10.8131 1.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 2.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7975 2.5194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1886 2.6913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5912 3.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5969 3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7103 2.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2101 2.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5203 2.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.4738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4332 2.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 3.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2432 2.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2276 4.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1404 3.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4590 3.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0271 2.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 3.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5923 4.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7269 4.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0076 3.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8647 1.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2081 1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1895 3.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5963 2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 -2.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -3.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -2.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -4.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -4.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3791 0.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 0.9181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 1.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 1.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8516 3.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 -0.6218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 0.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8092 2.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1638 4.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6426 4.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 49 1 0 0 0 0 2 24 2 0 0 0 0 3 28 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 40 1 0 0 0 0 5 16 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 56 1 0 0 0 0 7 21 2 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 1 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 6 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 26 1 0 0 0 0 19 50 1 0 0 0 0 20 27 2 0 0 0 0 20 51 1 0 0 0 0 22 29 1 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 53 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 61 1 0 0 0 0 M END $$$$ D01525 -OEChem-05252109582D 846895 0 1 0 0 0 0 0999 V2000 17.6031 14.3115 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2530 11.5405 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.6641 15.9258 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 23.9285 15.9129 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7966 12.4555 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 20.1334 -6.9172 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.8681 7.3711 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 27.1347 20.0020 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.2049 -12.0017 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 21.7476 -1.9782 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.2774 1.8893 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 14.8072 5.7568 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 32.2094 21.0294 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 17.3374 -15.4719 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 15.7231 -20.4110 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 34.8849 25.4018 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.7954 -22.7717 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.9279 -26.2419 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 30.7959 28.6079 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.9995 -31.3264 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.3175 10.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5996 16.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7286 15.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5059 12.9429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8646 9.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2710 13.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6426 16.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0468 12.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3512 18.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1369 -9.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 13.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0694 16.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8717 5.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2729 -14.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3663 -4.9137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3584 18.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2003 8.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1290 0.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5156 -11.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8777 -6.2494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0168 19.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 2.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5414 -0.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 5.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3269 2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3159 -15.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9561 -18.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0033 22.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4623 22.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4902 -22.4145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4675 -19.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8588 13.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4592 10.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8703 14.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9385 16.0538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7471 12.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8599 -23.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5892 -21.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8949 25.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4655 -6.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6124 8.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7617 20.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2544 -11.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7691 -2.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5881 2.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6010 6.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9149 25.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9964 20.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 -25.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1312 -14.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9959 -29.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0553 -19.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8750 25.2609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7739 -22.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -30.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7237 28.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8784 -26.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6364 19.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -33.5593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8681 28.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 3.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5230 -6.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5103 3.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5743 3.7533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9333 31.3340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1890 -16.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.1083 20.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7438 -30.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8624 6.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2869 11.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3443 22.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3418 -23.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 8.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 1.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7919 -20.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9126 -5.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7612 -8.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8999 4.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7093 -17.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7156 14.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6709 24.1097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.5379 20.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3817 -35.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 -30.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -19.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4567 22.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9350 -30.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7168 32.4530 0.0000 O 0 0 0 0 0 0 0 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12.6988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9788 -21.0788 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 34.7441 24.4117 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2182 10.1421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9186 15.7720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8461 12.7662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4261 -7.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3891 -7.5851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1238 6.7032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.8790 20.6699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7051 20.4901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8169 -22.9779 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9193 -15.3913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1554 -12.3124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5825 3.9814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7261 -1.7720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.7214 17.5998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0611 -4.5565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9667 0.9388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7857 5.9630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6670 2.6037 0.0000 N 0 0 0 0 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6.0370 5.3842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2419 8.6635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4601 11.8187 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4972 4.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8718 4.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1607 3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4116 4.6896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7004 3.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1122 5.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0749 3.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8339 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6687 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7482 6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6209 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8005 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1705 8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8614 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6930 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9343 9.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 10.1593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4868 8.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1377 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 10.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 11.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 10.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 11.6991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3817 12.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6727 11.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4607 11.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4863 10.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 9.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2362 11.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 10.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 8.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2413 7.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 12.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 10.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 9.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 4.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 4.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6884 6.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 6.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 2.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0862 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7846 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2061 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9386 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 6.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 6.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 8.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 9.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1738 9.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5985 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5526 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4314 10.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8291 10.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 11.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 11.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 8.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 12.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 12.7554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 11.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 11.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 12.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 12.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3385 8.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8609 8.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1073 11.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8111 11.4319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4757 13.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 11.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3165 8.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3276 6.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8553 7.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 8.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2919 12.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0947 13.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 12.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 10.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1084 6.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3024 6.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 2 0 0 0 0 1 15 2 0 0 0 0 26 2 1 6 0 0 0 2 42 1 0 0 0 0 24 3 1 6 0 0 0 3 80 1 0 0 0 0 4 34 1 0 0 0 0 4 48 1 0 0 0 0 5 34 2 0 0 0 0 6 38 2 0 0 0 0 7 40 1 0 0 0 0 7 56 1 0 0 0 0 8 42 2 0 0 0 0 9 46 1 0 0 0 0 9 62 1 0 0 0 0 10 46 2 0 0 0 0 52 11 1 1 0 0 0 11111 1 0 0 0 0 12122 1 0 0 0 0 13123 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 16 32 1 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 17 38 1 0 0 0 0 18 44 1 0 0 0 0 18 58 1 0 0 0 0 18 99 1 0 0 0 0 19 50 1 0 0 0 0 19 53 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 6 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 66 1 1 0 0 0 22 26 1 0 0 0 0 22 29 1 1 0 0 0 22 30 1 0 0 0 0 23 24 1 0 0 0 0 23 67 1 6 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 25 28 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 70 1 0 0 0 0 27 31 1 0 0 0 0 27 35 2 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 36 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 33 2 0 0 0 0 30 75 1 0 0 0 0 31 37 2 0 0 0 0 32 33 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 78 1 0 0 0 0 35 39 1 0 0 0 0 35 79 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 40 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 1 0 0 0 42 47 1 0 0 0 0 43 45 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 51 2 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 45 88 1 1 0 0 0 47 89 1 0 0 0 0 47 90 1 0 0 0 0 47 91 1 0 0 0 0 48 92 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 49 52 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 50 97 1 0 0 0 0 50 98 1 0 0 0 0 51 54 1 0 0 0 0 51 57 1 0 0 0 0 52 53 1 0 0 0 0 52 59 1 0 0 0 0 53100 1 0 0 0 0 53101 1 0 0 0 0 54 55 1 0 0 0 0 54102 1 0 0 0 0 54103 1 0 0 0 0 55104 1 0 0 0 0 55105 1 0 0 0 0 56106 1 0 0 0 0 56107 1 0 0 0 0 56108 1 0 0 0 0 57 58 1 0 0 0 0 57 60 2 0 0 0 0 58 61 2 0 0 0 0 59 63 1 0 0 0 0 59109 1 0 0 0 0 59110 1 0 0 0 0 60 64 1 0 0 0 0 60112 1 0 0 0 0 61 65 1 0 0 0 0 61113 1 0 0 0 0 62114 1 0 0 0 0 62115 1 0 0 0 0 62116 1 0 0 0 0 63117 1 0 0 0 0 63118 1 0 0 0 0 63119 1 0 0 0 0 64 65 2 0 0 0 0 64120 1 0 0 0 0 65121 1 0 0 0 0 M END $$$$ D01527 -OEChem-05252109582D 143149 0 1 0 0 0 0 0999 V2000 5.3374 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 4.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3481 3.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 2.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 8.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6246 0.9960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9056 7.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6295 7.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8284 3.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 5.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8284 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6945 10.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0964 4.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4265 4.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0964 9.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4265 9.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9624 5.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 3.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9624 10.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 8.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 4.3836 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9905 5.3842 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1182 8.8740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 11.6073 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.4507 4.8839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8253 4.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1141 3.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3650 4.6896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6539 3.8006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0656 5.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 3.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7874 6.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 5.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 2.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7016 6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 3.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5744 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 3.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9415 5.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 1.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3271 6.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 7.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8149 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6465 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 9.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 9.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 8.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9773 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 10.2022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6149 10.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 11.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 11.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 8.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9492 10.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 10.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 9.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 12.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7508 11.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 11.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 9.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 7.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5112 12.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 10.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 9.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 13.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8284 4.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6945 4.7427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8284 9.3702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6945 9.8702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9624 4.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 4.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9624 9.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5605 9.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 4.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1965 4.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 6.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 6.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 2.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 5.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0397 5.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 1.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9706 2.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 2.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9038 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 3.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 2.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0198 4.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1331 5.1036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 5.8848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7499 6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2933 2.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2148 1.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 6.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 8.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 9.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5166 0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4381 0.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5061 3.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 9.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5301 11.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 11.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 8.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 11.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4624 11.4272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5566 7.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2920 8.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8144 8.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5400 10.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 12.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 12.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 11.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 8.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 6.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6732 7.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0216 7.9518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8259 11.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 12.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 11.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9386 13.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 14.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7194 13.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 3.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2314 5.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3654 9.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2314 10.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 2.9327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2314 6.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2915 8.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2314 11.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5594 4.5527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 4.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5594 9.6802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9634 9.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 6 0 0 0 1 47 1 0 0 0 0 29 2 1 6 0 0 0 2 92 1 0 0 0 0 3 39 1 0 0 0 0 3 52 1 0 0 0 0 4 39 2 0 0 0 0 5 45 1 0 0 0 0 5 57 1 0 0 0 0 6 47 2 0 0 0 0 7 50 1 0 0 0 0 7 65 1 0 0 0 0 8 50 2 0 0 0 0 70 9 1 1 0 0 0 9136 1 0 0 0 0 71 10 1 1 0 0 0 10137 1 0 0 0 0 72 11 1 1 0 0 0 11138 1 0 0 0 0 73 12 1 1 0 0 0 12139 1 0 0 0 0 13 74 1 0 0 0 0 13140 1 0 0 0 0 14 75 1 0 0 0 0 14141 1 0 0 0 0 15 76 1 0 0 0 0 15142 1 0 0 0 0 16 77 1 0 0 0 0 16143 1 0 0 0 0 17 74 2 0 0 0 0 18 75 2 0 0 0 0 19 76 2 0 0 0 0 20 77 2 0 0 0 0 21 26 1 0 0 0 0 21 33 1 0 0 0 0 21 37 1 0 0 0 0 22 28 1 0 0 0 0 22 35 1 0 0 0 0 22 41 1 0 0 0 0 23 49 1 0 0 0 0 23 60 1 0 0 0 0 23111 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 30 1 6 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 78 1 1 0 0 0 27 31 1 0 0 0 0 27 34 1 1 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 79 1 6 0 0 0 29 31 1 0 0 0 0 29 39 1 0 0 0 0 30 33 1 0 0 0 0 30 80 1 0 0 0 0 30 81 1 0 0 0 0 31 82 1 0 0 0 0 32 35 1 0 0 0 0 32 40 2 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 42 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 43 2 0 0 0 0 36 38 2 0 0 0 0 36 87 1 0 0 0 0 37 38 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 40 44 1 0 0 0 0 40 91 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 41 95 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 45 1 0 0 0 0 43 99 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 46 50 1 1 0 0 0 47 51 1 0 0 0 0 48 53 1 0 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 49 54 2 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 51104 1 0 0 0 0 52105 1 0 0 0 0 52106 1 0 0 0 0 52107 1 0 0 0 0 53 55 1 0 0 0 0 53 58 1 0 0 0 0 53108 1 6 0 0 0 54 56 1 0 0 0 0 54 59 1 0 0 0 0 55109 1 0 0 0 0 55110 1 0 0 0 0 56112 1 0 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 57115 1 0 0 0 0 57116 1 0 0 0 0 58 62 2 0 0 0 0 58117 1 0 0 0 0 59 60 1 0 0 0 0 59 63 2 0 0 0 0 60 64 2 0 0 0 0 61 62 1 0 0 0 0 61118 1 0 0 0 0 61119 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 63120 1 0 0 0 0 64 68 1 0 0 0 0 64121 1 0 0 0 0 65122 1 0 0 0 0 65123 1 0 0 0 0 65124 1 0 0 0 0 66 69 1 0 0 0 0 66125 1 0 0 0 0 66126 1 0 0 0 0 67 68 2 0 0 0 0 67127 1 0 0 0 0 68128 1 0 0 0 0 69129 1 0 0 0 0 69130 1 0 0 0 0 69131 1 0 0 0 0 70 71 1 0 0 0 0 70 74 1 0 0 0 0 70132 1 0 0 0 0 71 75 1 0 0 0 0 71133 1 0 0 0 0 72 73 1 0 0 0 0 72 76 1 0 0 0 0 72134 1 0 0 0 0 73 77 1 0 0 0 0 73135 1 0 0 0 0 M END $$$$ D01530 -OEChem-05252109582D 44 46 0 0 0 0 0 0 0999 V2000 7.1013 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5654 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6994 -0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2039 -0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -1.2177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 -2.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 0.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -0.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 -1.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8367 -0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6338 -0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 -2.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1003 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8334 -1.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2363 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2964 2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1023 0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 2 44 1 0 0 0 0 3 25 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 15 2 0 0 0 0 6 9 1 0 0 0 0 6 18 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$ D01531 -OEChem-05252109582D 28 29 0 1 0 0 0 0 0999 V2000 3.6750 -0.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 -3.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0570 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9538 -2.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -1.1135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -1.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4678 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3845 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 26 1 0 0 0 0 3 13 2 0 0 0 0 7 4 1 6 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 6 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ D01532 -OEChem-05252109582D 64 68 0 1 0 0 0 0 0999 V2000 3.7320 -3.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 3.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 4.2051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1299 0.2806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 2.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5137 4.7944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 3.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -1.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -0.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -1.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 22 2 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 50 1 0 0 0 0 7 19 2 0 0 0 0 8 22 1 0 0 0 0 8 54 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 1 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 56 1 0 0 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