E00ARE -OEChem-05082103092D 54 54 0 0 0 0 0 0 0999 V2000 7.1962 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0950 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 9.7942 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5950 0.0000 O 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 -3.4050 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 3.7320 -3.9050 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 3.7320 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 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 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4050 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 2.0000 -6.9050 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 8.0622 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.2973 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 6.0747 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.0127 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 4.8535 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.9050 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 18 2 0 0 0 0 3 22 1 0 0 0 0 3 52 1 0 0 0 0 4 23 1 0 0 0 0 4 53 1 0 0 0 0 5 24 1 0 0 0 0 5 54 1 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 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 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 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 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 17 49 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 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 M END $$$$ E00DHW -OEChem-05082103122D 48 48 0 1 0 0 0 0 0999 V2000 4.8671 3.3100 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 4.0010 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3100 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 3.1350 0.3100 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 6.5991 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8100 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 3.5680 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 2.8100 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 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 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 2 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 5.7331 5.8100 0.0000 C 0 0 2 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 3.1350 4.3100 0.0000 C 0 0 0 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 5.4040 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.1900 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 3.4641 5.1200 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 2.2690 1.1900 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 6.2700 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.8350 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 7.1360 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.6900 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 1.4030 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4300 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 4.1050 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 14 1 1 1 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 15 4 1 1 0 0 0 4 39 1 0 0 0 0 16 5 1 6 0 0 0 5 40 1 0 0 0 0 18 6 1 1 0 0 0 6 41 1 0 0 0 0 19 7 1 1 0 0 0 7 42 1 0 0 0 0 21 8 1 6 0 0 0 8 43 1 0 0 0 0 22 9 1 6 0 0 0 9 44 1 0 0 0 0 10 23 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 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 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 15 21 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 17 23 1 1 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 20 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 1 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$ E00DYA -OEChem-05082103102D 77 76 0 0 0 0 0 0 0999 V2000 7.1962 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 N 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 14.1244 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.1900 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 18.4545 0.6900 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 19.3205 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 20.1865 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 21.0526 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 4.5981 0.6900 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 21.9186 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 3.7320 -0.8100 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 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2849 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 22.2286 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 1.2269 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 3.9441 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.7023 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 2.5560 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 3 64 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 23 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 65 1 0 0 0 0 23 66 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 24 69 1 0 0 0 0 25 27 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 26 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 M END $$$$ E00EFL -OEChem-05082103162D 12 8 0 0 0 0 0 0 0999 V2000 5.4641 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 2.0000 0.0950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E00FOE -OEChem-05082103142D 43 30 0 0 0 0 0 0 0999 V2000 7.8798 5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.3439 5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.6118 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 5.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4779 5.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1477 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0759 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 10.4779 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 7.0138 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1498 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1498 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 24 1 0 0 0 0 10 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 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 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 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 42 1 0 0 0 0 19 43 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 7 -1 M END $$$$ E00HIM -OEChem-05082103122D 55 55 0 0 0 0 0 0 0999 V2000 3.0000 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 O 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 5.5981 1.7500 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 5.5981 0.7500 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 4.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7500 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 8.1962 5.2500 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 8.1962 6.2500 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 9.0622 6.7500 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 2.1340 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -6.2500 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 3.0000 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.3700 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 18 1 0 0 0 0 2 16 1 0 0 0 0 5 6 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 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 16 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 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 48 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 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 2 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 23 55 1 0 0 0 0 M END $$$$ E00MAM -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E00ONP -OEChem-05082103072D 23 22 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M END $$$$ E00PPG -OEChem-05082103102D 61 60 0 0 0 0 0 0 0999 V2000 10.0851 6.6200 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.1350 5.6200 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 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.8671 7.6200 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 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.1200 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 2.2690 1.1200 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 7.4651 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 8.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 9.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 10.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.7277 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 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 12.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 11.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 11.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 12.2277 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 2.8059 0.8100 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 8.0851 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8451 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 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 12 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 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 8 37 1 0 0 0 0 9 10 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 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 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 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 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 17 21 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 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 M CHG 2 1 -1 2 1 M END $$$$ E00PSA -OEChem-05082103142D 65 64 0 1 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 O 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 9.7942 -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 4.5981 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 10.6603 -2.2500 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 4.5981 -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 11.5263 -2.7500 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 5.4641 -1.2500 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 6.3301 -2.7500 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 12.3923 -2.2500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 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 3.9441 2.3326 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 2.3100 4.2869 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 1.6900 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 64 1 0 0 0 0 4 25 1 0 0 0 0 4 65 1 0 0 0 0 5 8 1 0 0 0 0 5 9 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 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 11 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 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 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 20 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 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 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 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 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 M END $$$$ E00QLA -OEChem-05082103112D 79 82 0 1 0 0 0 0 0999 V2000 6.8671 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 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 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 11.1972 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -4.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -4.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 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 6.0010 -1.2500 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 7.7331 -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 6.8671 1.2500 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 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 8.5991 4.2500 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 9.4651 4.7500 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 10.3312 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.2500 0.0000 C 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 -5.0600 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 7.1962 -3.9400 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 6.0010 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.1300 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 8.2700 -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 7.9451 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 19 1 1 6 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 17 4 1 1 0 0 0 4 59 1 0 0 0 0 21 5 1 1 0 0 0 5 28 1 0 0 0 0 18 6 1 6 0 0 0 6 60 1 0 0 0 0 20 7 1 1 0 0 0 7 61 1 0 0 0 0 23 8 1 1 0 0 0 8 62 1 0 0 0 0 24 9 1 6 0 0 0 9 63 1 0 0 0 0 10 26 1 0 0 0 0 10 64 1 0 0 0 0 11 31 1 0 0 0 0 11 69 1 0 0 0 0 12 32 1 0 0 0 0 12 70 1 0 0 0 0 13 34 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 76 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 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 20 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 21 49 1 0 0 0 0 22 26 1 1 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 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 1 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 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 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 65 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 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 71 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 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 41 42 1 0 0 0 0 41 75 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END $$$$ E00RBN -OEChem-05082103162D 108104 0 1 0 0 0 0 0999 V2000 13.5273 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.9292 6.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.9292 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 11.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 2.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 4.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 9.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 10.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.7953 7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9292 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0000 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 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6613 9.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7953 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 8.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 9.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8733 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2719 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8733 7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2719 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 43 1 0 0 0 0 2 10 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 44 1 0 0 0 0 5 39 1 0 0 0 0 5 45 1 0 0 0 0 6 40 1 0 0 0 0 6 46 1 0 0 0 0 7 45 2 0 0 0 0 8 46 2 0 0 0 0 9107 1 0 0 0 0 10108 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 17 49 2 0 0 0 0 18 50 2 0 0 0 0 19 21 1 0 0 0 0 19 23 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 24 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 21 55 1 0 0 0 0 21 56 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 27 1 0 0 0 0 23 59 1 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 24 62 1 0 0 0 0 25 29 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 26 66 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 32 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 75 1 0 0 0 0 31 76 1 0 0 0 0 32 36 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 37 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 38 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 39 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 40 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 41 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 42 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 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 43101 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 0 0 0 0 44102 1 0 0 0 0 47 49 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48 50 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 M CHG 4 3 1 4 1 15 -1 16 -1 M END $$$$ E00RDQ -OEChem-05082103162D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 4 2 2 3 -2 4 -2 5 -2 M END $$$$ E00SKG -OEChem-05082103132D 55 54 0 1 0 0 0 0 0999 V2000 7.1962 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 O 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 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 2 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 10.6603 -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 10.6603 -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 3.7320 -3.2500 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 9.7942 -1.7500 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 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -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 12.3923 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 13.2583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.8577 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 8.9282 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.5600 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 1.4631 -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 13.7953 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 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 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 14 1 0 0 0 0 10 33 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 16 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 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 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 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END $$$$ E00WFP -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E00WOC -OEChem-05082103142D 52 51 0 0 0 0 0 0 0999 V2000 2.5369 -2.2500 0.0000 O 0 0 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 6.8671 -2.7500 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 6.0010 -2.2500 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 5.1350 -2.7500 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 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 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 11.1972 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 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 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.3577 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 12.6002 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 52 1 0 0 0 0 2 18 2 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 3 22 1 0 0 0 0 4 6 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 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 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 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 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 37 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 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 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 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 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 M END $$$$ E00XLR -OEChem-05082103162D 67 67 0 1 0 0 0 0 0999 V2000 5.0868 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -6.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9529 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 8.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -6.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -1.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 7.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 7.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -5.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -4.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6351 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 9.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3951 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -3.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 22 3 1 1 0 0 0 3 65 1 0 0 0 0 4 24 2 0 0 0 0 5 27 1 0 0 0 0 5 66 1 0 0 0 0 6 28 1 0 0 0 0 6 67 1 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 26 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 58 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 6 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 2 0 0 0 0 28 29 1 0 0 0 0 M END $$$$ E00XNE -OEChem-05082103052D 28 29 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ E00YNX -OEChem-05082103132D 11 9 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E00YPI -OEChem-05082103072D 71 70 0 0 0 0 0 0 0999 V2000 6.0010 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.6550 0.0000 C 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 16.3933 1.1550 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 17.2594 0.6550 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 18.1254 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.6550 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 19.8574 1.1550 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 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.6550 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 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 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 1 21 2 0 0 0 0 2 25 1 0 0 0 0 2 70 1 0 0 0 0 3 26 1 0 0 0 0 3 71 1 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 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 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 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 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 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 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 18 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 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 24 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 26 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 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 M END $$$$ E00ZXG -OEChem-05082103112D 68 67 0 0 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 6.3301 -0.7500 0.0000 O 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 14.9904 0.2500 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 15.8564 0.7500 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 16.7224 0.2500 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 17.5885 0.7500 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 18.4545 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 19.3205 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 20.1865 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 21.0526 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 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 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 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3626 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 1.2869 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 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 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 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 20 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 7 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 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 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 M END $$$$ E01EBV -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E01EGO -OEChem-04012200552D 88 90 0 1 0 0 0 0 0999 V2000 5.6335 -2.7620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 4.8060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 -1.0465 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -4.0888 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.9904 -1.6389 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.4843 -5.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 -3.7468 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6487 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 5.7457 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 5.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 4.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 -1.8126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.1288 -0.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 -1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 1.5682 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7656 -0.8014 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8263 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 -0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 -0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 -1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 -2.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7352 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 3.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -4.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4192 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 1.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 0.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 0.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 3.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 2.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8069 -1.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -1.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 0.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 -2.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9454 -0.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 1.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 0.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8373 -2.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -2.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 2.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 3.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4837 -2.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 -2.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 3.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 1.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -4.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -4.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 2.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6726 0.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -5.7457 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 38 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 47 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 3 15 2 0 0 0 0 3 49 1 0 0 0 0 6 50 1 0 0 0 0 6 88 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 2 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 55 1 0 0 0 0 23 56 1 0 0 0 0 24 37 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 38 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 41 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 32 1 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 64 1 0 0 0 0 30 34 2 0 0 0 0 30 65 1 0 0 0 0 31 35 2 0 0 0 0 31 66 1 0 0 0 0 32 67 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 36 42 2 0 0 0 0 36 45 1 0 0 0 0 37 43 2 0 0 0 0 37 46 1 0 0 0 0 38 44 1 0 0 0 0 39 48 2 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 47 1 0 0 0 0 42 78 1 0 0 0 0 43 49 1 0 0 0 0 43 79 1 0 0 0 0 44 50 2 0 0 0 0 44 81 1 0 0 0 0 45 51 2 0 0 0 0 45 80 1 0 0 0 0 46 52 2 0 0 0 0 46 82 1 0 0 0 0 47 53 2 0 0 0 0 48 50 1 0 0 0 0 48 83 1 0 0 0 0 49 54 2 0 0 0 0 51 53 1 0 0 0 0 51 84 1 0 0 0 0 52 54 1 0 0 0 0 52 85 1 0 0 0 0 53 86 1 0 0 0 0 54 87 1 0 0 0 0 M CHG 6 4 1 5 1 7 -1 10 -1 13 -1 17 1 M END $$$$ E01ITR -OEChem-05082103082D 37 33 0 1 0 0 0 0 0999 V2000 2.0000 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 5 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 8.0622 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 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 3 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 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 5.4641 -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 6.3301 3.0000 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 5.4641 -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 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.8923 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 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 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 6.7287 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 19 1 0 0 0 0 4 37 1 0 0 0 0 5 20 1 0 0 0 0 6 20 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 13 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 17 1 0 0 0 0 12 18 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 25 1 0 0 0 0 14 26 1 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 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 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 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E01IZK -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E01JGW -OEChem-05082103052D 50 49 0 0 0 0 0 0 0999 V2000 9.4651 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5950 0.0000 N 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 6.8671 0.0950 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 7.7331 0.5950 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 3.4030 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0950 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 3.4030 0.0950 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 9.4651 1.5950 0.0000 C 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 5.6025 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0250 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 2.8660 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.7850 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 1 23 1 0 0 0 0 1 46 1 0 0 0 0 2 23 2 0 0 0 0 3 24 1 0 0 0 0 3 47 1 0 0 0 0 4 25 1 0 0 0 0 4 48 1 0 0 0 0 5 26 1 0 0 0 0 5 49 1 0 0 0 0 6 27 1 0 0 0 0 6 50 1 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 9 26 2 0 0 0 0 10 27 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 13 22 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 17 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 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 24 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 26 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 22 45 1 0 0 0 0 M END $$$$ E01LXK -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1509 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 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 12 2 1 6 0 0 0 16 2 1 6 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 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 6 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 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E01MLR -OEChem-05082103082D 13 13 0 0 0 0 0 0 0999 V2000 4.5691 -0.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 M END $$$$ E01OUP -OEChem-05082103112D 46 46 0 0 0 0 0 0 0999 V2000 4.5981 -3.4441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 4.0867 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9441 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 4.5834 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4976 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4811 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 21 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 19 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 26 1 0 0 0 0 6 43 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 20 31 1 0 0 0 0 21 29 2 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 23 30 2 0 0 0 0 23 35 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 36 1 0 0 0 0 26 30 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E01PMC -OEChem-05082103142D 15 12 0 0 0 0 0 0 0999 V2000 3.9399 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4399 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.4030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9399 4.2690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0739 2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 4.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 4 2 -1 3 -1 6 1 7 1 M END $$$$ E01RHD -OEChem-05082103132D 191190 0 0 0 0 0 0 0999 V2000 54.4985 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.9004 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3023 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.7042 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1062 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5081 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7139 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5177 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -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 7.7331 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 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 61.4267 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2927 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.5606 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.1587 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6946 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.0247 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.8286 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.8908 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.9626 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7568 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0965 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6228 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2305 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.4888 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3645 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.3549 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6324 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7664 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0344 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1683 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4363 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5703 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8382 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9722 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2401 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3741 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6421 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -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 0.2500 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 16.3933 -0.2500 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 13.7953 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 11.1972 -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 8.5991 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 6.0010 -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 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.0281 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.8252 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.6912 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.8942 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.9592 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.1621 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.7602 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.5572 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.2961 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.0931 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4233 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.6262 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.2271 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.4301 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4922 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2893 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.5640 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.3611 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1553 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.3583 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.4951 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.6980 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.2243 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0213 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.8320 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.6290 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.8874 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0903 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.7630 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.9660 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0449 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.8918 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.6649 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.0310 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.2339 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.3679 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.1649 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.6358 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.4329 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.5669 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.7698 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.8348 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.0378 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1717 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.9688 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4397 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.2367 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3707 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.5737 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6387 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.8416 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.9756 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.7726 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.2435 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.0406 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1746 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3775 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4425 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6454 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7794 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5765 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0474 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.8444 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9784 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1813 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2464 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4493 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5833 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3803 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8512 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6483 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7823 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9852 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0502 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2531 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3871 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1842 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6551 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4521 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5861 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7890 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 -0.7249 0.0000 H 0 0 0 0 0 0 0 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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 5.6025 -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 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 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 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 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0 0 0 0 67170 1 0 0 0 0 68 69 1 0 0 0 0 68171 1 0 0 0 0 68172 1 0 0 0 0 69173 1 0 0 0 0 69174 1 0 0 0 0 70 71 1 0 0 0 0 70175 1 0 0 0 0 70176 1 0 0 0 0 71177 1 0 0 0 0 71178 1 0 0 0 0 72 73 1 0 0 0 0 72179 1 0 0 0 0 72180 1 0 0 0 0 73181 1 0 0 0 0 73182 1 0 0 0 0 74 75 1 0 0 0 0 74183 1 0 0 0 0 74184 1 0 0 0 0 75185 1 0 0 0 0 75186 1 0 0 0 0 76 77 1 0 0 0 0 76187 1 0 0 0 0 76188 1 0 0 0 0 77189 1 0 0 0 0 77190 1 0 0 0 0 M END $$$$ E01RKB -OEChem-05082103142D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 3 2 3 3 -2 4 -2 5 -2 M END $$$$ E01SSA -OEChem-05082103152D 19 18 0 0 0 0 0 0 0999 V2000 2.0000 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E01TKQ -OEChem-05082103142D 24 23 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END $$$$ E01ULA -OEChem-05082103142D 106105 0 0 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -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 8.9282 -2.2500 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 23.6506 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 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 0.2500 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 15.8564 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -2.2500 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 22.7846 -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 25.3827 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 -1.2500 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 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 6.3301 -2.7500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 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 18.0560 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4386 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0401 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7287 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1272 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8627 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2612 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3046 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9061 1.6423 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 3.9441 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5726 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1740 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5947 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9933 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1706 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7721 3.1423 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 26.5587 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9387 4.2869 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 1.4631 4.0600 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 29 1 0 0 0 0 1 36 1 0 0 0 0 2 36 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 16 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 21 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 49 1 0 0 0 0 8 50 1 0 0 0 0 9 15 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 22 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 17 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 18 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 19 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 20 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 24 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 29 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 23 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 25 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 26 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 27 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 30 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 28 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 31 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 34 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 32 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 33 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 87 1 0 0 0 0 27 88 1 0 0 0 0 28 36 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 30 31 2 0 0 0 0 30 93 1 0 0 0 0 31 94 1 0 0 0 0 32 37 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 38 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 2 0 0 0 0 34 99 1 0 0 0 0 35100 1 0 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 M END $$$$ E01UTP -OEChem-05082103082D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E01VDF -OEChem-05082103042D 15 14 0 0 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E01VHX -OEChem-05082103132D 34 37 0 0 0 0 0 0 0999 V2000 11.2558 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 7.7115 0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 -1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6577 -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 7.1279 0.0000 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 8.6577 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 7.7115 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 -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 9.5238 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 10.3898 -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 10.3898 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 9.5238 -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 9.5238 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -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 8.9038 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1438 -2.0000 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 3.7320 2.6200 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 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 8 16 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 11 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$ E01VZR -OEChem-05082103162D 39 38 0 1 0 0 0 0 0999 V2000 4.0400 0.1503 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.9416 -2.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 -4.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 4.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -5.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 5.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -0.6587 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6333 1.0638 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5802 -1.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8088 1.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -3.1814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7210 3.4117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8202 -4.1596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7210 4.4117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3590 -2.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 -4.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 4.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6886 -3.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4784 3.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -3.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 5.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -4.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 4.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1976 5.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 -5.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 5.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 2.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 6.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8162 -6.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 16 4 1 6 0 0 0 4 34 1 0 0 0 0 17 5 1 1 0 0 0 5 35 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 2 0 0 0 0 13 25 2 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 1 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 6 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 30 1 0 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 24 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 3 1 2 10 -1 11 -1 M END $$$$ E01YXN -OEChem-05082103122D 23 23 0 1 0 0 0 0 0999 V2000 2.8660 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E01ZRI -OEChem-05082103072D 20 19 0 0 0 0 0 0 0999 V2000 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E02ABP -OEChem-05082103142D 64 65 0 0 0 0 0 0 0999 V2000 18.4545 0.3450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8450 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 14.9904 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 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 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 C 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 12.3923 1.8450 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 14.1244 1.8450 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 15.8564 1.8450 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 16.7224 2.3450 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 15.8564 0.8450 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 17.5885 1.8450 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 16.7224 0.3450 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 17.5885 0.8450 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 8.5297 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5350 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 4.0611 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.9650 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 16.7224 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 0.5350 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 18.1254 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.5350 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 4.5981 -0.2750 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 17 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 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 20 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 11 21 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 22 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 14 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 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 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 45 1 0 0 0 0 18 46 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 29 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 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ E02AQT -OEChem-05082103122D 17 17 0 1 0 0 0 0 0999 V2000 5.3122 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 0.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E02AWG -OEChem-05082103132D 24 24 0 1 0 0 0 0 0999 V2000 5.1350 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.9795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -1.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 9 4 1 6 0 0 0 4 22 1 0 0 0 0 10 5 1 6 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02FBG -OEChem-05082103092D 9 6 0 0 0 0 0 0 0999 V2000 4.5981 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M END $$$$ E02GAH -OEChem-05082103122D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 6 0 0 0 4 22 1 0 0 0 0 11 5 1 1 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02GBG -OEChem-05082103052D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E02IKB -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E02OPF -OEChem-05082103102D 5 3 0 0 0 0 0 0 0999 V2000 0.6160 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 4 1 1 2 -1 3 -1 5 1 M END $$$$ E02QDK -OEChem-05272104372D 41 41 0 0 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.5923 1.7808 0.0000 Na 0 3 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 3.7320 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0981 2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 2.2775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3636 0.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -1.2846 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 -1.2500 0.0000 N 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 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.2847 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 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2708 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 8.9962 0.2292 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 -1.2500 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 -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 -2.7500 0.0000 C 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 8.0829 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6118 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -1.5884 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 2.8660 -0.6300 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 -1.4400 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 1.4631 -3.0600 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 19 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 22 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 12 17 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 23 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 24 33 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 37 1 0 0 0 0 27 29 2 0 0 0 0 27 38 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 29 40 1 0 0 0 0 30 41 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E02SIO -OEChem-05082103122D 10 7 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E02UFT -OEChem-05082103132D 11 8 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 4.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E02WLG -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END $$$$ E02WXM -OEChem-05082103122D 16 13 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 12 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E02WYE -OEChem-05082103072D 41 40 0 0 0 0 0 0 0999 V2000 2.8660 0.7500 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 8.9282 0.2500 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 9.7942 0.7500 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 10.6603 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 11.5263 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 12.3923 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 13.2583 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 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 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 14 2 0 0 0 0 3 4 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 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 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 11 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 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 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 13 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 M END $$$$ E02ZNX -OEChem-05082103162D 17 15 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ E02ZQY -OEChem-05082103062D 44 43 0 0 0 0 0 0 0999 V2000 6.8301 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4330 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 6.3301 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 1.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 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 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 15 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 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 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 18 32 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 36 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 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 M END $$$$ E02ZUV -OEChem-05082103132D 98100 0 1 0 0 0 0 0999 V2000 13.4662 6.5600 0.0000 Na 0 3 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 4.8671 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.3100 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 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.3100 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 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 7.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 7.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5991 7.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4651 10.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 8.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8671 8.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 10.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 10.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 2 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 1.4030 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 11.8100 0.0000 C 0 0 1 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 1.4030 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 9.3100 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 1.4030 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3100 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 0.5369 6.3100 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 3.1350 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 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 2.2690 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 6.0000 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 8.0021 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.6900 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 0.8469 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 9.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 10.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 2 1 6 0 0 0 31 2 1 6 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 27 4 1 6 0 0 0 40 4 1 6 0 0 0 35 5 1 1 0 0 0 36 5 1 1 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 41 1 0 0 0 0 7 43 1 0 0 0 0 30 8 1 1 0 0 0 8 78 1 0 0 0 0 9 40 1 0 0 0 0 9 47 1 0 0 0 0 33 10 1 1 0 0 0 10 80 1 0 0 0 0 34 11 1 6 0 0 0 11 83 1 0 0 0 0 39 12 1 6 0 0 0 12 84 1 0 0 0 0 42 13 1 1 0 0 0 13 85 1 0 0 0 0 43 14 1 1 0 0 0 14 86 1 0 0 0 0 15 44 1 0 0 0 0 15 87 1 0 0 0 0 45 16 1 6 0 0 0 16 88 1 0 0 0 0 46 17 1 1 0 0 0 17 89 1 0 0 0 0 18 48 1 0 0 0 0 18 93 1 0 0 0 0 19 49 1 0 0 0 0 19 94 1 0 0 0 0 20 48 2 0 0 0 0 21 50 2 0 0 0 0 22 51 1 0 0 0 0 22 98 1 0 0 0 0 23 51 2 0 0 0 0 24 52 2 0 0 0 0 28 25 1 1 0 0 0 25 50 1 0 0 0 0 25 70 1 0 0 0 0 38 26 1 6 0 0 0 26 52 1 0 0 0 0 26 79 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 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 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 31 59 1 0 0 0 0 32 44 1 6 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 48 1 1 0 0 0 37 65 1 0 0 0 0 38 43 1 0 0 0 0 38 66 1 0 0 0 0 39 41 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 49 1 1 0 0 0 41 69 1 0 0 0 0 42 45 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 46 1 0 0 0 0 45 75 1 0 0 0 0 46 47 1 0 0 0 0 46 76 1 0 0 0 0 47 51 1 6 0 0 0 47 77 1 0 0 0 0 49 81 1 0 0 0 0 49 82 1 0 0 0 0 50 53 1 0 0 0 0 52 54 1 0 0 0 0 53 90 1 0 0 0 0 53 91 1 0 0 0 0 53 92 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 CHG 1 1 1 M END $$$$ E03BDU -OEChem-05082103072D 18 17 0 0 0 0 0 0 0999 V2000 2.5369 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E03EMX -OEChem-05082103162D 109108 0 1 0 0 0 0 0999 V2000 8.6228 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8828 5.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 6.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3170 4.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1548 6.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 14.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9318 5.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1228 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3138 5.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7567 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7567 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8907 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5738 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0247 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3627 5.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3702 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6752 6.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2828 3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 5.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 4.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 6.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6597 7.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9066 4.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 6.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 10.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 10.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 11.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 15.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 15.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 14.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 14.3858 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 16 2 1 6 0 0 0 20 2 1 6 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 17 4 1 6 0 0 0 4 60 1 0 0 0 0 18 5 1 1 0 0 0 5 61 1 0 0 0 0 21 6 1 6 0 0 0 6 64 1 0 0 0 0 22 7 1 1 0 0 0 7 65 1 0 0 0 0 8 23 1 0 0 0 0 8 66 1 0 0 0 0 24 9 1 6 0 0 0 9 67 1 0 0 0 0 10 26 1 0 0 0 0 10 68 1 0 0 0 0 11 27 1 0 0 0 0 11 69 1 0 0 0 0 12 45 1 0 0 0 0 12105 1 0 0 0 0 13 45 2 0 0 0 0 14 47 1 0 0 0 0 14109 1 0 0 0 0 15 47 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 26 1 6 0 0 0 19 50 1 0 0 0 0 20 21 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 22 24 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 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 1 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 32 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 0 0 0 0 31 77 1 0 0 0 0 32 34 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 35 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 36 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 37 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 39 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 90 1 0 0 0 0 38 91 1 0 0 0 0 39 41 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 43 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 44 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43 45 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 46 47 1 0 0 0 0 46106 1 0 0 0 0 46107 1 0 0 0 0 46108 1 0 0 0 0 M END $$$$ E03FDH -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 M END $$$$ E03GBZ -OEChem-05082103072D 24 23 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E03GMQ -OEChem-05082103062D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E03GSO -OEChem-05082103132D 23 23 0 0 0 0 0 0 0999 V2000 2.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E03JEM -OEChem-05082103162D 16 15 0 0 0 0 0 0 0999 V2000 2.5369 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E03JHL -OEChem-05082103042D 20 19 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END $$$$ E03JRW -OEChem-05082103142D 176176 0 1 0 0 0 0 0999 V2000 17.6760 -7.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1069 -6.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7330 -5.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7792 -8.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0009 -4.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5716 -8.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -3.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -4.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -6.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0579 -7.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3670 -8.0414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8670 -5.5026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3670 -8.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0009 -5.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 -7.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4127 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7330 -4.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6695 -7.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5990 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7185 -7.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5990 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 -8.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 -7.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3311 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 -8.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3311 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -8.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 -8.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -7.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -8.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -7.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7952 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9291 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6612 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -6.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0631 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5272 2.4974 0.0000 C 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 21.4091 0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8077 1.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9262 1.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 0.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 1.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 2.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7158 -9.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6601 2.3074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0476 -7.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5142 -6.9898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 -8.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 -7.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3906 -7.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 -6.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 -5.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1937 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3966 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5306 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3277 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2627 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0597 1.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -6.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0631 3.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9257 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1287 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6149 4.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0134 5.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 5.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9262 4.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -5.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -4.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1908 7.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7923 6.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 3.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 4.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9947 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7918 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4809 6.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8795 7.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 3.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -4.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -5.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6578 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8607 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0568 8.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6583 7.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 -3.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 -3.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7268 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5238 1.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3470 7.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7455 8.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -2.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -4.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3013 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5282 2.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6813 3.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 9.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 10.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 9.4974 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 10 2 1 6 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 11 4 1 1 0 0 0 4 77 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 15 2 0 0 0 0 7 17 2 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 69 1 0 0 0 0 10 11 1 0 0 0 0 10 70 1 0 0 0 0 11 13 1 0 0 0 0 11 71 1 0 0 0 0 12 14 1 0 0 0 0 12 72 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 75 1 0 0 0 0 14 76 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 80 1 0 0 0 0 18 81 1 0 0 0 0 19 21 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 24 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 23 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 88 1 0 0 0 0 23 89 1 0 0 0 0 24 28 1 0 0 0 0 24 90 1 0 0 0 0 24 91 1 0 0 0 0 25 27 1 0 0 0 0 25 92 1 0 0 0 0 25 93 1 0 0 0 0 26 30 1 0 0 0 0 26 94 1 0 0 0 0 26 95 1 0 0 0 0 27 29 1 0 0 0 0 27 96 1 0 0 0 0 27 97 1 0 0 0 0 28 31 1 0 0 0 0 28 98 1 0 0 0 0 28 99 1 0 0 0 0 29 32 1 0 0 0 0 29100 1 0 0 0 0 29101 1 0 0 0 0 30 33 1 0 0 0 0 30102 1 0 0 0 0 30103 1 0 0 0 0 31 35 1 0 0 0 0 31104 1 0 0 0 0 31105 1 0 0 0 0 32 34 1 0 0 0 0 32106 1 0 0 0 0 32107 1 0 0 0 0 33 36 1 0 0 0 0 33108 1 0 0 0 0 33109 1 0 0 0 0 34 37 1 0 0 0 0 34110 1 0 0 0 0 34111 1 0 0 0 0 35 39 1 0 0 0 0 35112 1 0 0 0 0 35113 1 0 0 0 0 36 40 1 0 0 0 0 36114 1 0 0 0 0 36115 1 0 0 0 0 37 38 1 0 0 0 0 37116 1 0 0 0 0 37117 1 0 0 0 0 38 48 1 0 0 0 0 38118 1 0 0 0 0 38119 1 0 0 0 0 39 42 2 0 0 0 0 39120 1 0 0 0 0 40 50 2 0 0 0 0 40121 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41122 1 0 0 0 0 41123 1 0 0 0 0 42124 1 0 0 0 0 43 44 1 0 0 0 0 43125 1 0 0 0 0 43126 1 0 0 0 0 44 49 1 0 0 0 0 44127 1 0 0 0 0 44128 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45129 1 0 0 0 0 45130 1 0 0 0 0 46 50 1 0 0 0 0 46131 1 0 0 0 0 46132 1 0 0 0 0 47 51 1 0 0 0 0 47133 1 0 0 0 0 47134 1 0 0 0 0 48 58 2 0 0 0 0 48137 1 0 0 0 0 49 54 1 0 0 0 0 49135 1 0 0 0 0 49136 1 0 0 0 0 50138 1 0 0 0 0 51 57 1 0 0 0 0 51139 1 0 0 0 0 51140 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 0 0 0 0 52141 1 0 0 0 0 52142 1 0 0 0 0 53 56 1 0 0 0 0 53143 1 0 0 0 0 53144 1 0 0 0 0 54 60 1 0 0 0 0 54145 1 0 0 0 0 54146 1 0 0 0 0 55 59 1 0 0 0 0 55147 1 0 0 0 0 55148 1 0 0 0 0 56 58 1 0 0 0 0 56149 1 0 0 0 0 56150 1 0 0 0 0 57 61 1 0 0 0 0 57151 1 0 0 0 0 57152 1 0 0 0 0 58155 1 0 0 0 0 59 62 1 0 0 0 0 59153 1 0 0 0 0 59154 1 0 0 0 0 60 63 1 0 0 0 0 60156 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 62 65 1 0 0 0 0 62160 1 0 0 0 0 62161 1 0 0 0 0 63 66 1 0 0 0 0 63162 1 0 0 0 0 63163 1 0 0 0 0 64 67 1 0 0 0 0 64164 1 0 0 0 0 64165 1 0 0 0 0 65 68 1 0 0 0 0 65166 1 0 0 0 0 65167 1 0 0 0 0 66168 1 0 0 0 0 66169 1 0 0 0 0 66170 1 0 0 0 0 67171 1 0 0 0 0 67172 1 0 0 0 0 67173 1 0 0 0 0 68174 1 0 0 0 0 68175 1 0 0 0 0 68176 1 0 0 0 0 M END $$$$ E03JUX -OEChem-05082103052D 8 7 0 0 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E03KJL -OEChem-05082103062D 22 21 0 1 0 0 0 0 0999 V2000 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 5 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E03ORS -OEChem-04012200562D 35 35 0 1 0 0 0 0 0999 V2000 3.5000 1.9330 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -2.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 3.4330 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 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6597 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 0.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 -0.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -1.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 2.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 2.4890 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 4.4631 3.1090 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 1 11 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 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 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 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 11 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 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 27 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 M END $$$$ E03PTQ -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E03REJ -OEChem-05082103092D 33 35 0 0 0 0 0 0 0999 V2000 5.1350 -0.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5173 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 7 21 1 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 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 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 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 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$ E03TBM -OEChem-05082103132D 9 5 0 0 0 0 0 0 0999 V2000 3.4641 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E03UQX -OEChem-05082103112D 57 56 0 1 0 0 0 0 0999 V2000 15.8564 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 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 11.5263 0.4050 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 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 13.2583 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 14.1244 -0.0950 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 14.9904 0.4050 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 15.8564 -0.0950 0.0000 C 0 0 3 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 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -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 4.1306 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -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 1.4631 -0.4050 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 15.3195 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 56 1 0 0 0 0 2 21 1 0 0 0 0 2 57 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 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 11 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M END $$$$ E03VAV -OEChem-05082103132D 37 36 0 1 0 0 0 0 0999 V2000 8.9282 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0950 0.0000 O 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 4.5981 -0.4050 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 3.7320 0.0950 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 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 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 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 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 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 11.1972 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2150 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 13 1 0 0 0 0 2 36 1 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 4 37 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 5 17 1 0 0 0 0 6 8 1 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 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 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 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 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 M END $$$$ E03XRS -OEChem-05082103052D 69 69 0 1 0 0 0 0 0999 V2000 4.8520 2.2985 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9860 0.7985 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 3.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 2.2985 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8520 -0.7015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1200 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1822 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0482 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 -3.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0641 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -0.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 1.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 -2.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 3.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 0.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 0.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7147 1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 -2.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -1.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 1.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8941 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 -3.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -3.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 1.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -4.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8941 -3.1645 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 8 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 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 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 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 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 13 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 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 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 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 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 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 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 M END $$$$ E03YBG -OEChem-05082103042D 15 15 0 0 0 0 0 0 0999 V2000 2.0000 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -0.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 0.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 0.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 -1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ E03ZKP -OEChem-05082103062D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E04CVA -OEChem-05082103112D 11 10 0 0 0 0 0 0 0999 V2000 3.7320 -1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ E04DZI -OEChem-05082103082D 17 16 0 0 0 0 0 0 0999 V2000 5.1350 0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E04FXO -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E04HFM -OEChem-05082103072D 16 16 0 0 0 0 0 0 0999 V2000 3.0000 0.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E04IDW -OEChem-05082103132D 67 66 0 1 0 0 0 0 0999 V2000 16.7224 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4050 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 9.7942 0.0950 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 10.6603 -0.4050 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 11.5263 0.0950 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 12.3923 -0.4050 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 13.2583 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4050 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 14.9904 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3205 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 66 1 0 0 0 0 4 25 1 0 0 0 0 4 67 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 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 7 31 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 12 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 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 16 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 19 1 0 0 0 0 16 20 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 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 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 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 M END $$$$ E04IXR -OEChem-05082103082D 83 82 0 0 0 0 0 0 0999 V2000 11.5263 3.5000 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 9.7942 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 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 8.0622 -1.5000 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 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 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 8.9282 -1.0000 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 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.5000 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 7.1962 3.0000 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 17.5885 3.0000 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 7.1962 -4.0000 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 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 3.5000 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 6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 3.9750 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 9.1403 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -3.9631 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 6.6401 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 14 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 15 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 16 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 18 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 19 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 23 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 21 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 22 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 24 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 25 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 28 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 60 1 0 0 0 0 21 29 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 30 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 31 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 32 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 33 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 27 73 1 0 0 0 0 27 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 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 M END $$$$ E04KSN -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 21 1 0 0 0 0 8 2 1 6 0 0 0 2 22 1 0 0 0 0 9 3 1 1 0 0 0 3 23 1 0 0 0 0 10 4 1 6 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E04KTP -OEChem-05082103112D 42 43 0 1 0 0 0 0 0999 V2000 3.4030 -2.2694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -0.5566 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 0.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9044 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 12 5 1 6 0 0 0 16 5 1 6 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 13 7 1 6 0 0 0 7 38 1 0 0 0 0 14 8 1 1 0 0 0 8 39 1 0 0 0 0 17 9 1 6 0 0 0 9 40 1 0 0 0 0 18 10 1 1 0 0 0 10 41 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E04NDE -OEChem-05082103082D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E04NFW -OEChem-05082103112D 44 29 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 7.4081 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 1 7 2 0 0 0 0 4 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 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 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 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 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E04NIZ -OEChem-05082103132D 17 17 0 0 0 0 0 0 0999 V2000 4.6783 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0005 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4883 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0005 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E04WCM -OEChem-05082103072D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 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 5.1350 -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 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.0000 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 5.1350 2.5000 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 7.4040 0.1900 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 8.2700 1.3100 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 7.7331 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 7.4040 2.8100 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 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 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 7.4040 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1200 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 13 1 1 6 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 14 4 1 1 0 0 0 4 38 1 0 0 0 0 15 5 1 6 0 0 0 5 39 1 0 0 0 0 16 6 1 6 0 0 0 6 40 1 0 0 0 0 17 7 1 1 0 0 0 7 41 1 0 0 0 0 18 8 1 1 0 0 0 8 42 1 0 0 0 0 19 9 1 6 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 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 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 17 19 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 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 6 0 0 0 20 32 1 0 0 0 0 21 23 1 1 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 $$$$ E04XSS -OEChem-05082103122D 53 52 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 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 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 12.8598 -0.7249 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 14.5229 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 16.2549 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 16.3239 -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 18.1254 -0.0600 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 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 53 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 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 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 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 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 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 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 19 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 M END $$$$ E04XXD -OEChem-05082103042D 11 10 0 0 0 0 0 0 0999 V2000 2.5369 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E04ZMC -OEChem-05082103062D 19 18 0 1 0 0 0 0 0999 V2000 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 5 3 1 6 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E05BFS -OEChem-05082103072D 92 91 0 1 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 3 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 10.6603 0.2500 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 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 15.8564 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 17.5885 0.2500 0.0000 C 0 0 3 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 16.7224 -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 18.4545 -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 14.1244 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 19.3205 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 17.5885 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 20.1865 -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 21.0526 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 21.9186 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.2500 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 13.5874 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.5600 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 13.6569 -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 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 8.5297 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 11.9248 -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 15.4579 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 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5600 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 16.3239 -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 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 18.0560 -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 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 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -1.2500 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 18.9220 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 18.2085 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -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 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.3700 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 21.6086 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6726 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4326 1.2500 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 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 1 31 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 8 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 9 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 13 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 14 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 49 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 12 50 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 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 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 17 61 1 0 0 0 0 18 62 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 69 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 26 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 79 1 0 0 0 0 26 29 1 0 0 0 0 26 30 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 27 83 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 M END $$$$ E05BRC -OEChem-05082103092D 26 26 0 0 0 0 0 0 0999 V2000 2.5369 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E05BSD -OEChem-05082103112D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E05EDA -OEChem-04012201002D 23 22 0 1 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END $$$$ E05FOW -OEChem-05082103102D 15 12 0 0 0 0 0 0 0999 V2000 5.1350 -0.2685 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0571 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 8 -1 9 -1 M END $$$$ E05GFF -OEChem-05082103072D 28 28 0 0 0 0 0 0 0999 V2000 3.7320 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$ E05IIA -OEChem-05082103092D 21 17 0 0 0 0 0 0 0999 V2000 3.0981 2.2990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E05NAL -OEChem-05082103152D 29 27 0 1 0 0 0 0 0999 V2000 10.3312 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 2 1 1 0 0 0 2 24 1 0 0 0 0 11 3 1 1 0 0 0 3 25 1 0 0 0 0 12 4 1 1 0 0 0 4 26 1 0 0 0 0 13 5 1 6 0 0 0 5 27 1 0 0 0 0 14 6 1 6 0 0 0 6 28 1 0 0 0 0 7 15 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 M CHG 2 1 1 8 -1 M END $$$$ E05OTQ -OEChem-05082103152D 14 10 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E05PEC -OEChem-05082103072D 44 43 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 13.2583 -0.2500 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 12.3923 1.2500 0.0000 O 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 7.1962 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 6.3301 -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 5.4641 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 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 14.1244 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 14.9904 -0.2500 0.0000 C 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 8.4607 -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 8.5297 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 2.4675 -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 14.5229 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 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 14.6804 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 0.2869 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 13 2 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 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 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 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 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 15 17 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 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END $$$$ E05PQO -OEChem-05082103132D 40 41 0 0 0 0 0 0 0999 V2000 8.0622 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 3.7500 0.0000 O 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 6.3301 0.7500 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 3.7320 -1.7500 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 2.8660 -3.2500 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 -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 5.4641 -0.7500 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 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 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 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 2.0000 -3.7500 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 -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 2.8660 -5.2500 0.0000 C 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 4.5981 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 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 6.0010 -2.0600 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 9.4651 2.5600 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 9.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4400 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 4.2690 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8700 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 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 2 0 0 0 0 11 22 2 0 0 0 0 11 23 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 29 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 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 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E05PRI -OEChem-05082103112D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.1482 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1482 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.2070 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -1.6999 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.1965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 2.4410 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0365 0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 10 31 1 0 0 0 0 11 31 2 0 0 0 0 12 13 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 18 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 28 2 0 0 0 0 20 31 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 5 1 6 1 8 -1 10 -1 M END $$$$ E05RKR -OEChem-05082103052D 26 27 0 0 0 0 0 0 0999 V2000 5.5202 0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 3.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$ E05RPP -OEChem-05082103142D 55 54 0 0 0 0 0 0 0999 V2000 14.1244 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4400 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 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9400 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 4.5981 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9400 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 7.1962 -2.4400 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 12.3923 -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 6.3301 -2.9400 0.0000 C 0 0 0 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 13.2583 -2.9400 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 9.3957 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 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 12.8598 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 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 20 1 0 0 0 0 2 21 1 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 1 0 0 0 0 4 8 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 5 27 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 12 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 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 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 M END $$$$ E05WCT -OEChem-05082103072D 14 13 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E05WMG -OEChem-05082103142D 69 68 0 0 0 0 0 0 0999 V2000 7.7331 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4400 0.0000 C 0 0 0 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 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3374 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7360 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0473 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9133 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2035 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6020 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7794 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3808 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 69 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 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 28 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 13 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 14 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 9 36 1 0 0 0 0 9 37 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 15 1 0 0 0 0 11 40 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 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 20 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 19 1 0 0 0 0 16 50 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 21 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 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 23 1 0 0 0 0 22 61 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 25 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 M END $$$$ E05YRY -OEChem-05082103082D 15 15 0 0 0 0 0 0 0999 V2000 4.5981 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E06BKD -OEChem-05082103092D 49 48 0 1 0 0 0 0 0999 V2000 12.3923 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0950 0.0000 O 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 6.3301 -0.4050 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 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 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 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 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 10.6603 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 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 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 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 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 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2150 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 48 1 0 0 0 0 4 19 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 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 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 12 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 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 32 1 0 0 0 0 12 33 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 15 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 19 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 M END $$$$ E06BSG -OEChem-05082103112D 45 45 0 0 0 0 0 0 0999 V2000 9.7942 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.5000 0.0000 O 0 0 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 4.2320 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.8660 0.0000 O 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 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 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 9.7942 -0.5000 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 8.9282 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 4.5981 1.5000 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 8.9282 -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 5.4641 3.0000 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 11.5542 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.0208 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 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6200 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 11.5470 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.5369 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 3.4220 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.5369 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 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 20 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 2 0 0 0 0 15 17 1 0 0 0 0 15 27 2 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E06CNF -OEChem-05082103072D 15 14 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E06CZB -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 2.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ E06DEM -OEChem-05082103112D 108106 0 0 0 0 0 0 0999 V2000 16.1254 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 4.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 4.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 3.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 0.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 4.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1107 1 0 0 0 0 2 34 1 0 0 0 0 2108 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 11 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 13 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 12 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 14 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 17 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 15 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 18 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 19 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 22 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 23 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 24 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 25 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 27 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 26 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 28 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 30 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 31 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 32 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 34 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 35 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 36 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 M END $$$$ E06FKO -OEChem-05082103082D 25 24 0 1 0 0 0 0 0999 V2000 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 20 1 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 1 0 0 0 3 22 1 0 0 0 0 11 4 1 6 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E06GPH -OEChem-05082103092D 67 68 0 0 0 0 0 0 0999 V2000 8.8070 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.9300 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0749 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 4.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 4.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8896 6.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1993 7.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 4.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4146 4.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3304 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 7.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 6.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 4.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 5.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 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 9.1170 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 33 1 0 0 0 0 3 33 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 13 1 0 0 0 0 5 16 1 0 0 0 0 5 50 1 0 0 0 0 6 10 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 12 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 42 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 12 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 15 18 2 0 0 0 0 15 49 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 24 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 54 1 0 0 0 0 23 26 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 25 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 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E06IXR -OEChem-05082103152D 33 32 0 0 0 0 0 0 0999 V2000 1.4030 4.3700 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.6200 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8700 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 7.9409 5.6200 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 1.4030 3.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 5.1200 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.1800 0.0000 H 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 7.6118 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.5600 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 1.4030 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.5600 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 6.2089 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 33 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 8 12 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 16 2 0 0 0 0 10 23 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 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 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$ E06LZB -OEChem-05082103102D 30 24 0 0 0 0 0 0 0999 V2000 6.8830 -0.3798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 1.1202 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -1.8798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 1.1202 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -1.8798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -0.3798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -2.6118 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3732 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5867 -2.6118 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4358 2.8457 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.3018 -1.3732 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8660 2.8457 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.0169 0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 1.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -0.4669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4396 2.0265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5905 -2.6989 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8623 2.0265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7114 -2.6990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4227 -0.4669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5901 0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7581 -2.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 -2.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 1 25 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 2 26 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 3 27 2 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 4 28 2 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 5 29 2 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 6 30 2 0 0 0 0 M CHG 8 7 1 8 1 9 1 10 1 11 1 12 1 19 -1 20 -1 M CHG 4 21 -1 22 -1 23 -1 24 -1 M END $$$$ E06NOK -OEChem-05082103122D 33 35 0 0 0 0 0 0 0999 V2000 2.5369 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7673 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5427 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 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 17 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 11 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 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 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 2 -1 6 1 M END $$$$ E06NRU -OEChem-05082103142D 66 65 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 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 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 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 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 8.9282 -2.2500 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 8.0622 -2.7500 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 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 11.5263 -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 5.4641 -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 12.3923 -2.2500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 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 4.3426 1.6423 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 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 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 3.0781 3.8326 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 6.3301 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 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 2.3100 4.2869 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 1.6900 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 56 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 2 0 0 0 0 4 25 1 0 0 0 0 4 65 1 0 0 0 0 5 26 1 0 0 0 0 5 66 1 0 0 0 0 6 7 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 14 1 0 0 0 0 8 31 1 0 0 0 0 9 15 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 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 16 1 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 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 18 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 21 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 21 55 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 24 25 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 26 63 1 0 0 0 0 26 64 1 0 0 0 0 M END $$$$ E06QPI -OEChem-05082103162D 21 18 0 0 0 0 0 0 0999 V2000 6.3519 0.8835 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 1.0578 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 2.6463 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 2.4720 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3893 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.8196 3.5659 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4362 0.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8847 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8203 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9919 0.2623 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8203 3.5298 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9919 3.2675 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2453 5.5659 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 2.7830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1113 6.0659 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 4.7083 5.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 8 5 2 6 1 13 -1 14 -1 15 -1 16 -1 17 -1 18 -1 M CHG 1 19 1 M END $$$$ E06QYB -OEChem-05082103092D 59 58 0 0 0 0 0 0 0999 V2000 4.2690 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.4400 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 18.1254 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.4400 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 12.4617 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 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 2.5369 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 57 1 0 0 0 0 3 58 1 0 0 0 0 3 59 1 0 0 0 0 4 5 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 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M END $$$$ E06RNC -OEChem-05082103042D 16 15 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E06RUT -OEChem-05082103122D 37 41 0 0 0 0 0 0 0999 V2000 4.3198 3.3798 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 3.3798 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.3211 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 0.3211 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.2460 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1444 -2.9965 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -1.7956 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9836 -3.3798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -2.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 2.9894 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 29 1 0 0 0 0 4 30 1 0 0 0 0 5 22 1 0 0 0 0 6 25 1 0 0 0 0 7 28 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 2 0 0 0 0 12 32 1 0 0 0 0 12 36 1 0 0 0 0 13 33 1 0 0 0 0 13 37 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 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 30 1 0 0 0 0 24 35 1 0 0 0 0 25 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 M END $$$$ E06SFE -OEChem-05082103162D 27 20 0 1 0 0 0 0 0999 V2000 4.1807 2.5460 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.3887 1.5679 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.9002 8.5668 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 0.1254 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 0.8988 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1989 3.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 1.2589 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7663 9.0668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0342 9.0668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9002 7.5668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7977 2.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 2.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 4.6904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 2.1588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0764 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 3.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 5.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 8.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 8.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 7.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 16 2 0 0 0 0 5 17 1 0 0 0 0 6 18 2 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 M CHG 8 1 -1 2 3 3 3 5 -1 7 -1 8 -1 9 -1 10 -1 M END $$$$ E06VIR -OEChem-05082103122D 219216 0 1 0 0 0 0 0999 V2000 8.0580 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 19.3969 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 15.3600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 23.4339 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 17.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 21.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0580 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0674 10.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1920 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 9.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9240 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2014 10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9240 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2014 9.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3259 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 15.3600 0.0000 C 0 0 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82216 1 0 0 0 0 83217 1 0 0 0 0 83218 1 0 0 0 0 83219 1 0 0 0 0 M CHG 3 13 -1 14 -1 15 -1 M END $$$$ E06VNY -OEChem-05082103062D 56 55 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 11.1972 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 12.0632 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 12.9292 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 13.7953 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 14.6613 0.7500 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 15.5273 0.2500 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 16.3933 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 17.2594 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 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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 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -0.2249 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 16.7919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 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 16.8608 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -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 18.4354 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 1.2869 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 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 6 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 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 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 12 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 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 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 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 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 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 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 M END $$$$ E06WAC -OEChem-05082103112D 37 38 0 0 0 0 0 0 0999 V2000 3.7320 3.8391 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0264 -3.7052 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8391 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 8.9942 1.8150 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 4.3391 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 -4.7051 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0264 -3.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 -3.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 0.8045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 0.2945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 -2.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1778 -2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -2.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 -2.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4618 -0.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -0.8792 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 7 2 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 24 1 0 0 0 0 4 21 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 23 1 0 0 0 0 13 14 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 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 28 2 0 0 0 0 26 37 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 M CHG 4 3 3 4 -1 5 -1 8 -1 M END $$$$ E06WYP -OEChem-05082103042D 14 13 0 0 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E06XKP -OEChem-05082103102D 13 8 0 0 0 0 0 0 0999 V2000 2.0000 -2.0490 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.5000 -0.1830 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.6340 2.0490 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0490 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5000 -0.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1340 1.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5000 1.5490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 M CHG 8 1 2 2 2 3 2 6 -1 7 -1 8 -1 9 -1 10 -1 M CHG 1 11 -1 M END $$$$ E06YUO -OEChem-05082103102D 8 5 0 0 0 0 0 0 0999 V2000 3.4030 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9030 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E07AGB -OEChem-05082103052D 51 50 0 0 0 0 0 0 0999 V2000 15.8564 -0.2500 0.0000 O 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 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 7.1962 -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 6.3301 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 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 13.2583 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 14.1244 -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 14.9904 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 8.5297 -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 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 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 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 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 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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 16.3933 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 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 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 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 16 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 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 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 M END $$$$ E07AXS -OEChem-05082103072D 45 44 0 0 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 O 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 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 6.3301 -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 5.4641 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 4.5981 -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 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 7.6636 -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 7.5947 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 9.3267 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 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 4.1306 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 3.2646 -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 13.6569 -0.7249 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 14.6613 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 5 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 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 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 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 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 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 15 44 1 0 0 0 0 M END $$$$ E07DTY -OEChem-05082103162D 112110 0 0 0 0 0 0 0999 V2000 4.0010 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.1200 0.0000 N 0 0 0 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 10.0632 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 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 4.0010 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 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 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0833 8.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 9.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 1.9177 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 4.2131 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 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 0.8660 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 32 2 0 0 0 0 3 39 1 0 0 0 0 3109 1 0 0 0 0 4 40 1 0 0 0 0 4110 1 0 0 0 0 5 41 1 0 0 0 0 5111 1 0 0 0 0 6 42 1 0 0 0 0 6112 1 0 0 0 0 7 31 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 32 1 0 0 0 0 8 37 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 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 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 19 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 22 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 18 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 20 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 21 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 24 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 23 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 25 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 26 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 29 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 28 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 31 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 30 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 32 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 33 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 34 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 34 92 1 0 0 0 0 35 39 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 36 40 1 0 0 0 0 36 95 1 0 0 0 0 36 96 1 0 0 0 0 37 41 1 0 0 0 0 37 97 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 38100 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 41105 1 0 0 0 0 41106 1 0 0 0 0 42107 1 0 0 0 0 42108 1 0 0 0 0 M END $$$$ E07ITM -OEChem-05082103152D 68 70 0 1 0 0 0 0 0999 V2000 12.7425 3.4366 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0628 1.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2303 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1212 1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.8384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.1616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 2 1 6 0 0 0 2 60 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 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 16 41 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 24 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 21 27 1 6 0 0 0 21 51 1 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 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 26 28 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 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E07JCO -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E07KHF -OEChem-05082103132D 32 23 0 0 0 0 0 0 0999 V2000 9.1360 1.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.2700 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9399 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4040 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6730 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 12.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E07KYW -OEChem-04012200582D 44 45 0 1 0 0 0 0 0999 V2000 8.1378 1.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 10.7894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5492 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 6.3778 5.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 7.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8189 8.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 11.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 10.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 11.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 5.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9468 5.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 7.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 7.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 6.8488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3288 5.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 6.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 7.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 8.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 9.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 9.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 9.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 10.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9193 7.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 9.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 9.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 10.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5846 8.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 11.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 28 1 0 0 0 0 4 18 2 0 0 0 0 5 26 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 7 26 2 0 0 0 0 10 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 16 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 20 1 0 0 0 0 17 33 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 34 1 0 0 0 0 22 25 2 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 38 1 0 0 0 0 30 32 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 32 41 1 0 0 0 0 M END $$$$ E07KZL -OEChem-05082103052D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E07MJC -OEChem-05082103142D 29 19 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4768 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 12.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 12.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 12.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E07NIW -OEChem-05082103142D 55 58 0 1 0 0 0 0 0999 V2000 10.4601 0.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3357 -1.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 -0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0562 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1844 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -2.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -3.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 0.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -0.1259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3319 -0.6225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1960 -0.1192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1921 0.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3242 1.3775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5998 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -0.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 -0.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7302 0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7860 1.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 2.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 2.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 -1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5997 -0.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5943 1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 -2.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8054 0.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 1.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -2.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3104 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 15 2 1 1 0 0 0 2 43 1 0 0 0 0 16 3 1 6 0 0 0 3 44 1 0 0 0 0 17 4 1 1 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 5 46 1 0 0 0 0 6 21 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 50 1 0 0 0 0 9 26 2 0 0 0 0 10 28 2 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 12 35 1 0 0 0 0 12 55 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 19 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 16 17 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 20 1 6 0 0 0 18 40 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 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 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 28 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$ E07QCK -OEChem-05082103162D 8 0 0 0 0 0 0 0 0999 V2000 1.2990 3.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.7320 1.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.1651 4.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.4330 4.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 8 1 4 2 3 3 3 4 -2 5 -2 6 -2 7 -2 8 -2 M END $$$$ E07QDG -OEChem-05082103062D 22 21 0 1 0 0 0 0 0999 V2000 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 6 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E07QDW -OEChem-05082103112D 6 5 0 0 0 0 0 0 0999 V2000 4.5981 -0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$ E07QET -OEChem-05082103152D 27 25 0 1 0 0 0 0 0999 V2000 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7626 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 20 1 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 1 0 0 0 3 23 1 0 0 0 0 11 4 1 6 0 0 0 4 24 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 13 2 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$ E07RHX -OEChem-05082103132D 45 45 0 0 0 0 0 0 0999 V2000 2.8660 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 2.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 3.8882 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 3.7320 -0.5000 0.0000 N 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 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 3.7320 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 6.3580 3.0347 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 7.2641 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4792 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 3.7320 -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 4.5981 -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 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 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.1671 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 5.1350 -1.6900 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 5.1350 -3.3100 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 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 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 21 1 0 0 0 0 5 20 1 0 0 0 0 5 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 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 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 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 21 23 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 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 36 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 30 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 4 3 1 4 1 6 -1 9 -1 M END $$$$ E07RSE -OEChem-05082103102D 17 12 0 0 0 0 0 0 0999 V2000 6.0532 -0.4223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -1.3189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 1.0260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 0.0260 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.3801 -0.8706 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0191 -0.6811 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0872 -0.1635 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4142 -0.6118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6390 -1.8365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7262 1.0260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7262 0.0260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7944 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 1.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 2.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 14 2 0 0 0 0 2 15 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 16 2 0 0 0 0 3 17 2 0 0 0 0 M CHG 8 4 3 5 3 6 -1 7 -1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E07RWU -OEChem-05082103072D 53 52 0 0 0 0 0 0 0999 V2000 14.1244 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.7500 0.0000 O 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 8.0622 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 8.9282 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 9.7942 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 10.6603 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 11.5263 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 12.3923 0.7500 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 13.2583 0.2500 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 15.8564 0.7500 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 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 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 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 14.9904 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.7500 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 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 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 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 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 16 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 15 46 1 0 0 0 0 17 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 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 M END $$$$ E07UZH -OEChem-05082103072D 56 55 0 0 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 14.9904 -0.2500 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 14.1244 1.2500 0.0000 O 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 10.6603 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 -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 12.3923 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 13.2583 -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 14.1244 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 15.8564 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 16.7224 -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 17.5885 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 18.4545 -0.2500 0.0000 C 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 10.1928 -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 10.2617 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 8.5297 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 11.9248 -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 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 16.2549 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 4.1306 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 16.3239 -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 2.4675 -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 17.9870 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 0.7249 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 18.1445 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2869 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 13 2 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 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 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 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 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 15 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 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 17 44 1 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 47 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 21 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 22 56 1 0 0 0 0 M END $$$$ E07WLC -OEChem-05082103152D 20 19 0 1 0 0 0 0 0999 V2000 2.0000 -0.8958 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3122 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.2266 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3692 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 1.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6942 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6676 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 9 3 1 1 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E07WRC -OEChem-05082103092D 66 65 0 1 0 0 0 0 0999 V2000 17.5885 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.2500 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 8.9282 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 8.0622 -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 7.1962 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 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 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 3 0 0 0 0 0 0 0 0 0 19.3205 1.2500 0.0000 C 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 8.5297 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 10.1928 -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 8.4607 -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 10.2617 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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 5.0656 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 13.6569 -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 14.5229 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 4.1306 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.2646 -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 15.4579 0.7249 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 18.0560 -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 19.8574 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7005 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 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 22 1 0 0 0 0 2 21 2 0 0 0 0 3 23 1 0 0 0 0 3 66 1 0 0 0 0 4 5 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 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 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 11 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 13 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 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 18 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 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 20 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 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 M END $$$$ E07WTO -OEChem-05082103162D 86 89 0 1 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 16.7224 5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7224 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5263 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 N 0 3 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 14.1244 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.0000 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 12.3923 -0.5000 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 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5000 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 11.5263 -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 15.8564 2.5000 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 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 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 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -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 15.8564 -0.5000 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 15.8564 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 12.3923 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 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 16.7224 4.0000 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 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 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 17.5885 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 17.5885 3.5000 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 14.7783 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.6200 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 8.3913 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8100 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 15.2364 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.9631 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 8.6182 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 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 12.9292 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.3800 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 12.9292 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.1900 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 18.1254 3.8100 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 2 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 44 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 45 1 0 0 0 0 4 11 1 0 0 0 0 4 12 2 0 0 0 0 4 13 2 0 0 0 0 4 46 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 22 1 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 36 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 37 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 40 2 0 0 0 0 25 41 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 27 30 2 0 0 0 0 27 62 1 0 0 0 0 28 38 2 0 0 0 0 28 42 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 39 2 0 0 0 0 35 43 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 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 44 1 0 0 0 0 38 75 1 0 0 0 0 39 45 1 0 0 0 0 39 76 1 0 0 0 0 40 47 1 0 0 0 0 40 77 1 0 0 0 0 41 48 2 0 0 0 0 41 78 1 0 0 0 0 42 49 2 0 0 0 0 42 79 1 0 0 0 0 43 50 2 0 0 0 0 43 80 1 0 0 0 0 44 51 2 0 0 0 0 45 52 2 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 51 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 M CHG 5 1 2 5 -1 8 -1 11 -1 15 1 M END $$$$ E08AAI -OEChem-04012200542D 155154 0 0 0 0 0 0 0999 V2000 18.4545 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.0000 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 13.2583 -1.5000 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 13.2583 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.0000 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 12.3923 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 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 10.6603 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.6209 5.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0009 7.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 4.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 5.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 52 1 0 0 0 0 2 56 1 0 0 0 0 3 53 1 0 0 0 0 3 57 1 0 0 0 0 4 50 2 0 0 0 0 5 52 2 0 0 0 0 6 53 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 58 1 0 0 0 0 7 59 1 0 0 0 0 8 14 1 0 0 0 0 8 60 1 0 0 0 0 8 61 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 64 1 0 0 0 0 10 65 1 0 0 0 0 11 17 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 18 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 13 19 1 0 0 0 0 13 70 1 0 0 0 0 13 71 1 0 0 0 0 14 20 1 0 0 0 0 14 72 1 0 0 0 0 14 73 1 0 0 0 0 15 21 1 0 0 0 0 15 74 1 0 0 0 0 15 75 1 0 0 0 0 16 22 1 0 0 0 0 16 76 1 0 0 0 0 16 77 1 0 0 0 0 17 23 1 0 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 24 1 0 0 0 0 18 80 1 0 0 0 0 18 81 1 0 0 0 0 19 25 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 26 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 27 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 28 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 23 29 1 0 0 0 0 23 90 1 0 0 0 0 23 91 1 0 0 0 0 24 30 1 0 0 0 0 24 92 1 0 0 0 0 24 93 1 0 0 0 0 25 31 1 0 0 0 0 25 94 1 0 0 0 0 25 95 1 0 0 0 0 26 32 1 0 0 0 0 26 96 1 0 0 0 0 26 97 1 0 0 0 0 27 33 1 0 0 0 0 27 98 1 0 0 0 0 27 99 1 0 0 0 0 28 34 1 0 0 0 0 28100 1 0 0 0 0 28101 1 0 0 0 0 29 35 1 0 0 0 0 29102 1 0 0 0 0 29103 1 0 0 0 0 30 36 1 0 0 0 0 30104 1 0 0 0 0 30105 1 0 0 0 0 31 37 1 0 0 0 0 31106 1 0 0 0 0 31107 1 0 0 0 0 32 38 1 0 0 0 0 32108 1 0 0 0 0 32109 1 0 0 0 0 33 39 1 0 0 0 0 33110 1 0 0 0 0 33111 1 0 0 0 0 34 40 1 0 0 0 0 34112 1 0 0 0 0 34113 1 0 0 0 0 35 41 1 0 0 0 0 35114 1 0 0 0 0 35115 1 0 0 0 0 36 42 1 0 0 0 0 36116 1 0 0 0 0 36117 1 0 0 0 0 37 43 1 0 0 0 0 37118 1 0 0 0 0 37119 1 0 0 0 0 38 44 1 0 0 0 0 38120 1 0 0 0 0 38121 1 0 0 0 0 39 45 1 0 0 0 0 39122 1 0 0 0 0 39123 1 0 0 0 0 40 46 1 0 0 0 0 40124 1 0 0 0 0 40125 1 0 0 0 0 41 47 1 0 0 0 0 41126 1 0 0 0 0 41127 1 0 0 0 0 42 48 1 0 0 0 0 42128 1 0 0 0 0 42129 1 0 0 0 0 43 50 1 0 0 0 0 43130 1 0 0 0 0 43131 1 0 0 0 0 44 51 1 0 0 0 0 44132 1 0 0 0 0 44133 1 0 0 0 0 45 52 1 0 0 0 0 45134 1 0 0 0 0 45135 1 0 0 0 0 46 53 1 0 0 0 0 46136 1 0 0 0 0 46137 1 0 0 0 0 47 54 1 0 0 0 0 47138 1 0 0 0 0 47139 1 0 0 0 0 48 55 1 0 0 0 0 48140 1 0 0 0 0 48141 1 0 0 0 0 49 56 1 0 0 0 0 49 57 1 0 0 0 0 49142 1 0 0 0 0 51143 1 0 0 0 0 51144 1 0 0 0 0 51145 1 0 0 0 0 54146 1 0 0 0 0 54147 1 0 0 0 0 54148 1 0 0 0 0 55149 1 0 0 0 0 55150 1 0 0 0 0 55151 1 0 0 0 0 56152 1 0 0 0 0 56153 1 0 0 0 0 57154 1 0 0 0 0 57155 1 0 0 0 0 M END $$$$ E08BBO -OEChem-05082103082D 26 26 0 0 0 0 0 0 0999 V2000 5.4641 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ E08DIP -OEChem-05082103052D 15 15 0 0 0 0 0 0 0999 V2000 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 M END $$$$ E08FQA -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E08HTI -OEChem-05082103042D 16 16 0 0 0 0 0 0 0999 V2000 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E08NVW -OEChem-05082103102D 46 45 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 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 10.3312 -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 9.4651 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 8.5991 -0.2500 0.0000 C 0 0 0 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 7.7331 0.2500 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 6.8671 -0.2500 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 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 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 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 9.0666 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 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 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -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 7.2656 -0.7249 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 6.3996 0.7249 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 15.2173 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 0.2869 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 3.8705 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 3.8015 -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 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 16 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 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 14 41 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 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E08RJB -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E08SAL -OEChem-05082103092D 62 64 0 0 0 0 0 0 0999 V2000 6.3913 -3.9134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 4.1555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -5.6454 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5080 5.6454 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -4.7852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5196 4.6454 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5196 -4.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 5.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 3.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -1.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 2.1556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -3.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 3.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -1.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 2.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 4.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -3.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 3.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -3.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 4.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -1.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 1.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -4.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 4.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -2.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -4.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 -4.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -3.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 3.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 4.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 4.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 30 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 45 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 2 0 0 0 0 20 22 1 0 0 0 0 20 28 2 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 29 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 31 1 0 0 0 0 27 47 1 0 0 0 0 28 32 1 0 0 0 0 28 48 1 0 0 0 0 29 35 1 0 0 0 0 30 36 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 33 39 2 0 0 0 0 33 51 1 0 0 0 0 34 40 2 0 0 0 0 34 52 1 0 0 0 0 35 37 2 0 0 0 0 35 53 1 0 0 0 0 36 38 2 0 0 0 0 36 54 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 39 55 1 0 0 0 0 40 56 1 0 0 0 0 41 57 1 0 0 0 0 41 58 1 0 0 0 0 41 59 1 0 0 0 0 42 60 1 0 0 0 0 42 61 1 0 0 0 0 42 62 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 8 -1 M END $$$$ E08UZZ -OEChem-05082103142D 5 2 0 0 0 0 0 0 0999 V2000 3.4030 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E08VAJ -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 4.2690 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E08VIF -OEChem-05082103152D 8 6 0 0 0 0 0 0 0999 V2000 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2685 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E08XEK -OEChem-05082103122D 43 42 0 1 0 0 0 0 0999 V2000 8.0158 -4.3942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.0852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -5.8942 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 5.7897 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.6858 2.6581 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2557 -0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 1.8491 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6968 2.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -5.3942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0158 -4.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -4.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 5.8942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7733 4.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 5.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -0.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8248 0.1936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 1.9536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 1.8491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 1.1446 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2067 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -3.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 4.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 3.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -1.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 -1.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 1.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 3.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 4.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 25 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 30 1 0 0 0 0 6 20 2 0 0 0 0 7 28 1 0 0 0 0 8 28 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 40 1 0 0 0 0 32 34 2 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 34 43 1 0 0 0 0 M CHG 6 3 1 4 1 5 1 7 -1 9 -1 12 -1 M END $$$$ E08YBT -OEChem-05082103082D 16 15 0 0 0 0 0 0 0999 V2000 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E09BVZ -OEChem-05082103072D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END $$$$ E09CQW -OEChem-05082103092D 120126 0 1 0 0 0 0 0999 V2000 6.8671 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 1.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 8.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 7.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 2.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8920 0.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9040 1.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7643 3.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7920 0.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6801 1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 3.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 4.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7722 5.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6723 3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 4.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0361 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 2.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 3.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 6.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8046 -0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 5.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -6.8970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -7.3970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -7.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6385 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 0.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 4.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 3.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 0.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 4.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 5.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 1.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -1.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 1.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 2.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 3.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 5.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 4.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 6.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 7.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 -0.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 -0.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -1.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 7.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 7.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 5.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -5.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -6.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -7.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 1 0 0 0 47 1 1 6 0 0 0 2 32 2 0 0 0 0 3 47 1 0 0 0 0 3 50 1 0 0 0 0 4 46 1 0 0 0 0 4105 1 0 0 0 0 5 46 2 0 0 0 0 48 6 1 6 0 0 0 52 6 1 1 0 0 0 49 7 1 1 0 0 0 7110 1 0 0 0 0 51 8 1 6 0 0 0 8111 1 0 0 0 0 9 52 1 0 0 0 0 9 56 1 0 0 0 0 10 53 1 0 0 0 0 10115 1 0 0 0 0 11 53 2 0 0 0 0 54 12 1 6 0 0 0 12117 1 0 0 0 0 55 13 1 1 0 0 0 13118 1 0 0 0 0 57 14 1 6 0 0 0 14119 1 0 0 0 0 15 58 1 0 0 0 0 15120 1 0 0 0 0 16 58 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 1 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 18 35 1 1 0 0 0 19 32 1 0 0 0 0 19 59 1 6 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 20 36 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 60 1 6 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 31 1 0 0 0 0 23 41 1 0 0 0 0 23 42 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 37 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 65 1 1 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 27 44 1 1 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 34 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 33 73 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 34 77 1 0 0 0 0 35 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 37 84 1 0 0 0 0 38 40 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 6 0 0 0 40 46 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 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 44 97 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 47 48 1 0 0 0 0 47103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49106 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 1 0 0 0 50107 1 0 0 0 0 51108 1 0 0 0 0 52 54 1 0 0 0 0 52109 1 0 0 0 0 54 55 1 0 0 0 0 54112 1 0 0 0 0 55 57 1 0 0 0 0 55113 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 1 0 0 0 56114 1 0 0 0 0 57116 1 0 0 0 0 M END $$$$ E09DGH -OEChem-05082103072D 35 36 0 0 0 0 0 0 0999 V2000 6.2619 0.7990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 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 2.8660 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 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 2.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5530 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 2.8660 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 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 3 1 0 0 0 0 1 11 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 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 9 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 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 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 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 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 M END $$$$ E09DSN -OEChem-05082103152D 48 46 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 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 2.8660 0.2500 0.0000 O 0 5 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 -0.2500 0.0000 N 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 11.5263 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 12.3923 -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 13.2583 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 14.1244 -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 14.9904 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 15.8564 -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 -1.2500 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 10.2617 -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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2869 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 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 16 2 0 0 0 0 3 20 1 0 0 0 0 4 20 2 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 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 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 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 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 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 17 1 0 0 0 0 15 39 1 0 0 0 0 15 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 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 M CHG 2 1 1 3 -1 M END $$$$ E09DYC -OEChem-05082103152D 6 4 0 1 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 6 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E09EXY -OEChem-05082103042D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E09FCQ -OEChem-05082103082D 166162 0 0 0 0 0 0 0999 V2000 17.5885 6.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 17.5885 5.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.4545 6.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 6.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.8564 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.7500 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 25.3827 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.2500 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 24.5167 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.7500 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 29.7128 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.7500 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 23.6506 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.2500 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 30.5788 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.7500 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 31.4449 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 6.7500 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 15.8564 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 6.7500 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 16.7224 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -5.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -5.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -7.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -6.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -6.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -7.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.3529 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7329 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 8.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 7.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 59 1 0 0 0 0 3 60 1 0 0 0 0 4 61 1 0 0 0 0 5 59 2 0 0 0 0 6 60 2 0 0 0 0 7 61 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 62 1 0 0 0 0 8 63 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 64 1 0 0 0 0 9 65 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 66 1 0 0 0 0 10 67 1 0 0 0 0 11 17 1 0 0 0 0 11 68 1 0 0 0 0 11 69 1 0 0 0 0 12 18 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 19 1 0 0 0 0 13 72 1 0 0 0 0 13 73 1 0 0 0 0 14 20 1 0 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 21 1 0 0 0 0 15 76 1 0 0 0 0 15 77 1 0 0 0 0 16 22 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 23 1 0 0 0 0 17 80 1 0 0 0 0 17 81 1 0 0 0 0 18 24 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 25 1 0 0 0 0 19 84 1 0 0 0 0 19 85 1 0 0 0 0 20 26 1 0 0 0 0 20 86 1 0 0 0 0 20 87 1 0 0 0 0 21 27 1 0 0 0 0 21 88 1 0 0 0 0 21 89 1 0 0 0 0 22 28 1 0 0 0 0 22 90 1 0 0 0 0 22 91 1 0 0 0 0 23 29 1 0 0 0 0 23 92 1 0 0 0 0 23 93 1 0 0 0 0 24 30 1 0 0 0 0 24 94 1 0 0 0 0 24 95 1 0 0 0 0 25 31 1 0 0 0 0 25 96 1 0 0 0 0 25 97 1 0 0 0 0 26 32 1 0 0 0 0 26 98 1 0 0 0 0 26 99 1 0 0 0 0 27 33 1 0 0 0 0 27100 1 0 0 0 0 27101 1 0 0 0 0 28 34 1 0 0 0 0 28102 1 0 0 0 0 28103 1 0 0 0 0 29 35 1 0 0 0 0 29104 1 0 0 0 0 29105 1 0 0 0 0 30 36 1 0 0 0 0 30106 1 0 0 0 0 30107 1 0 0 0 0 31 37 1 0 0 0 0 31108 1 0 0 0 0 31109 1 0 0 0 0 32 38 1 0 0 0 0 32110 1 0 0 0 0 32111 1 0 0 0 0 33 39 1 0 0 0 0 33112 1 0 0 0 0 33113 1 0 0 0 0 34 40 1 0 0 0 0 34114 1 0 0 0 0 34115 1 0 0 0 0 35 41 1 0 0 0 0 35116 1 0 0 0 0 35117 1 0 0 0 0 36 42 1 0 0 0 0 36118 1 0 0 0 0 36119 1 0 0 0 0 37 43 1 0 0 0 0 37120 1 0 0 0 0 37121 1 0 0 0 0 38 44 1 0 0 0 0 38122 1 0 0 0 0 38123 1 0 0 0 0 39 45 1 0 0 0 0 39124 1 0 0 0 0 39125 1 0 0 0 0 40 46 1 0 0 0 0 40126 1 0 0 0 0 40127 1 0 0 0 0 41 47 1 0 0 0 0 41128 1 0 0 0 0 41129 1 0 0 0 0 42 48 1 0 0 0 0 42130 1 0 0 0 0 42131 1 0 0 0 0 43 49 1 0 0 0 0 43132 1 0 0 0 0 43133 1 0 0 0 0 44 50 1 0 0 0 0 44134 1 0 0 0 0 44135 1 0 0 0 0 45 51 1 0 0 0 0 45136 1 0 0 0 0 45137 1 0 0 0 0 46 52 1 0 0 0 0 46138 1 0 0 0 0 46139 1 0 0 0 0 47 53 1 0 0 0 0 47140 1 0 0 0 0 47141 1 0 0 0 0 48 54 1 0 0 0 0 48142 1 0 0 0 0 48143 1 0 0 0 0 49 55 1 0 0 0 0 49144 1 0 0 0 0 49145 1 0 0 0 0 50 56 1 0 0 0 0 50146 1 0 0 0 0 50147 1 0 0 0 0 51 57 1 0 0 0 0 51148 1 0 0 0 0 51149 1 0 0 0 0 52 58 1 0 0 0 0 52150 1 0 0 0 0 52151 1 0 0 0 0 53 59 1 0 0 0 0 53152 1 0 0 0 0 53153 1 0 0 0 0 54 60 1 0 0 0 0 54154 1 0 0 0 0 54155 1 0 0 0 0 55 61 1 0 0 0 0 55156 1 0 0 0 0 55157 1 0 0 0 0 56158 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 57163 1 0 0 0 0 58164 1 0 0 0 0 58165 1 0 0 0 0 58166 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E09FSQ -OEChem-05082103112D 33 33 0 1 0 0 0 0 0999 V2000 6.5214 2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3693 -0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -0.0337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1092 1.2264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 0.2753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1092 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7032 -0.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 -1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3972 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 -1.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8679 2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 2.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 -1.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 1.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 1.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 33 1 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 12 1 0 0 0 0 9 16 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 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 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 17 25 1 0 0 0 0 17 26 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ E09IIR -OEChem-05082103102D 38 37 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 9.7942 0.2500 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 8.9282 -1.2500 0.0000 O 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 -0.2500 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 8.0622 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 8.9282 -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 10.6603 -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 11.5263 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 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 6.7976 -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 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 8.4607 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 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3700 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 3.4860 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 2.2460 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -1.2500 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 12 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 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 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 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 16 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 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 M END $$$$ E09KDO -OEChem-05082103082D 30 30 0 0 0 0 0 0 0999 V2000 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$ E09KYH -OEChem-05082103162D 57 55 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 2.0000 -0.0000 0.0000 Na 0 3 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 -0.0000 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 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 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 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 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 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 19.3205 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.5000 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 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4965 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8765 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 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 5.0656 -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 1 5 1 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 3 19 1 0 0 0 0 3 21 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 9 10 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 13 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 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 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 19 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 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 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 24 56 1 0 0 0 0 24 57 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E09MLD -OEChem-05082103162D 32 30 0 0 0 0 0 0 0999 V2000 1.4030 4.8100 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.6200 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8064 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 7.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9404 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 6.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 2.4300 0.0000 H 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 7.6118 0.8100 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 2.2690 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 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 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 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 25 1 0 0 0 0 16 18 2 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 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$ E09OPU -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E09QIG -OEChem-05082103102D 24 22 0 0 0 0 0 0 0999 V2000 2.7690 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 3.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E09UGV -OEChem-05082103122D 15 13 0 1 0 0 0 0 0999 V2000 5.5006 -0.7886 0.0000 Sn 0 2 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -1.4121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5006 0.2114 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1204 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 0.6124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E09UND -OEChem-05082103152D 48 47 0 1 0 0 0 0 0999 V2000 5.4165 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1486 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8931 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7150 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 16 2 1 6 0 0 0 18 2 1 6 0 0 0 13 3 1 1 0 0 0 3 36 1 0 0 0 0 14 4 1 6 0 0 0 4 37 1 0 0 0 0 15 5 1 6 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 41 1 0 0 0 0 21 7 1 6 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 43 1 0 0 0 0 22 9 1 1 0 0 0 9 45 1 0 0 0 0 10 23 1 0 0 0 0 10 46 1 0 0 0 0 11 24 2 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 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 32 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ E09USK -OEChem-05082103152D 16 15 0 1 0 0 0 0 0999 V2000 7.2144 0.2192 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.5282 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7281 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.1681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2601 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E09WWS -OEChem-05082103122D 86 87 0 1 0 0 0 0 0999 V2000 7.2241 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1301 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1368 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6335 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1368 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6401 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6401 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1434 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6401 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6468 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6468 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6468 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1501 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1501 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6534 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7435 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0517 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5168 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5234 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7186 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1649 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7501 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0583 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5301 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2219 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4555 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0334 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7252 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7568 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0650 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1849 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3389 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1087 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5367 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2285 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5301 2.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1477 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7701 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1525 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1916 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3455 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1153 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 6 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 6 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 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 12 50 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 6 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 22 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 27 1 0 0 0 0 21 23 2 0 0 0 0 21 28 1 0 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 24 1 0 0 0 0 23 30 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 29 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 31 1 0 0 0 0 29 32 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 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 81 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 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 M END $$$$ E09YDF -OEChem-05082103112D 92 94 0 1 0 0 0 0 0999 V2000 8.9561 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8622 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3655 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3655 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8688 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3722 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3722 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8755 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3722 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8755 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3788 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3788 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3788 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8821 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8821 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3855 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7522 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4440 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0712 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2488 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2555 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9473 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7588 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4506 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8207 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4822 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9539 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2555 1.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9103 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0643 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8341 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7655 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4573 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4888 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7970 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9170 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0709 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8407 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2688 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9606 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2622 2.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8798 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5021 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8845 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9236 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0776 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8474 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5557 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 25 1 0 0 0 0 2 34 1 0 0 0 0 3 34 2 0 0 0 0 4 37 1 0 0 0 0 4 39 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 6 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 11 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 6 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 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 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 22 1 0 0 0 0 18 26 1 6 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 25 2 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 23 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 M END $$$$ E09YYN -OEChem-05082103162D 11 6 0 0 0 0 0 0 0999 V2000 0.0000 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E09ZKW -OEChem-05082103132D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E09ZWX -OEChem-05082103082D 53 52 0 0 0 0 0 0 0999 V2000 6.0010 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 N 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 9.4651 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 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 12.0632 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1550 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 13.7953 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.1550 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 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.6550 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 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2173 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 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 1 15 2 0 0 0 0 2 19 1 0 0 0 0 2 52 1 0 0 0 0 3 20 1 0 0 0 0 3 53 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 21 1 0 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 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 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 15 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 18 1 0 0 0 0 14 39 1 0 0 0 0 14 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 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 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 M END $$$$ E09ZXG -OEChem-05082103052D 31 31 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E09ZYR -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0A0TR -OEChem-05082103072D 22 22 0 1 0 0 0 0 0999 V2000 4.2690 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 7 2 1 6 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 20 1 0 0 0 0 10 4 1 6 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 1 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0A1CS -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.5369 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END $$$$ E0A1XD -OEChem-05082103122D 23 21 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 2 1 6 0 0 0 2 20 1 0 0 0 0 11 3 1 6 0 0 0 3 21 1 0 0 0 0 12 4 1 1 0 0 0 4 22 1 0 0 0 0 13 5 1 6 0 0 0 5 23 1 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 M CHG 3 1 2 6 -1 8 -1 M END $$$$ E0A7SF -OEChem-05082103152D 19 19 0 0 0 0 0 0 0999 V2000 2.8660 0.5000 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0AA3N -OEChem-05082103062D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 M END $$$$ E0AT0O -OEChem-04012201012D 14 11 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0AX8U -OEChem-05082103142D 92 93 0 1 0 0 0 0 0999 V2000 19.1865 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4466 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6865 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8807 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4956 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6865 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8775 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4545 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5885 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5885 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1376 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9265 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7694 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 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 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5925 2.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2390 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4391 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8465 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6262 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3068 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8402 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5755 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2235 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4704 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1289 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.3064 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 13 2 1 6 0 0 0 17 2 1 6 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 14 4 1 6 0 0 0 4 55 1 0 0 0 0 15 5 1 1 0 0 0 5 56 1 0 0 0 0 18 6 1 6 0 0 0 6 57 1 0 0 0 0 19 7 1 1 0 0 0 7 58 1 0 0 0 0 20 8 1 6 0 0 0 8 59 1 0 0 0 0 9 22 1 0 0 0 0 9 60 1 0 0 0 0 10 23 1 0 0 0 0 10 61 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 6 0 0 0 16 43 1 0 0 0 0 17 18 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 20 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 21 24 1 1 0 0 0 21 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 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 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 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 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 32 33 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 35 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 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 39 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 40 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 M END $$$$ E0B0EX -OEChem-05082103142D 214209 0 1 0 0 0 0 0999 V2000 22.2304 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 6.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 11.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 21.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 10.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 20.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 14.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 24.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 14.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 14.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 24.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 15.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 15.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 25.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 13.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 23.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 16.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 26.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 12.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 22.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 17.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 17.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 27.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 6.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2304 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0964 6.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 17.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 17.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 27.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 14.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 14.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 14.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 14.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 24.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 24.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 14.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 14.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 14.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 14.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 24.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 24.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 16.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 15.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 16.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 15.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 26.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 25.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 12.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 13.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 12.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 13.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 22.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 23.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.1134 0.0000 H 0 0 0 0 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20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1959 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 13.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 12.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 13.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 12.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 23.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 22.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 17.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 17.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 17.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 17.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 27.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 27.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9323 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9324 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9013 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 20.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5594 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 17.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 17.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 18.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 17.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 18.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 18.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 27.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 28.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 28.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61 1 1 6 0 0 0 1200 1 0 0 0 0 62 2 1 6 0 0 0 2201 1 0 0 0 0 63 3 1 6 0 0 0 3202 1 0 0 0 0 64 4 1 6 0 0 0 4203 1 0 0 0 0 68 5 1 1 0 0 0 5204 1 0 0 0 0 69 6 1 1 0 0 0 6205 1 0 0 0 0 70 7 1 6 0 0 0 7206 1 0 0 0 0 71 8 1 6 0 0 0 8207 1 0 0 0 0 9 78 1 0 0 0 0 9208 1 0 0 0 0 10 79 1 0 0 0 0 10209 1 0 0 0 0 11 80 1 0 0 0 0 11210 1 0 0 0 0 12 81 1 0 0 0 0 12211 1 0 0 0 0 13 82 1 0 0 0 0 13212 1 0 0 0 0 14 83 1 0 0 0 0 14213 1 0 0 0 0 15 84 1 0 0 0 0 15214 1 0 0 0 0 16 82 2 0 0 0 0 17 83 2 0 0 0 0 18 84 2 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 85 1 0 0 0 0 19 86 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 87 1 0 0 0 0 20 88 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 89 1 0 0 0 0 21 90 1 0 0 0 0 22 28 1 0 0 0 0 22 91 1 0 0 0 0 22 92 1 0 0 0 0 23 29 1 0 0 0 0 23 93 1 0 0 0 0 23 94 1 0 0 0 0 24 30 1 0 0 0 0 24 95 1 0 0 0 0 24 96 1 0 0 0 0 25 37 1 0 0 0 0 25 97 1 0 0 0 0 25 98 1 0 0 0 0 26 38 1 0 0 0 0 26 99 1 0 0 0 0 26100 1 0 0 0 0 27 39 1 0 0 0 0 27101 1 0 0 0 0 27102 1 0 0 0 0 28 43 1 0 0 0 0 28103 1 0 0 0 0 28104 1 0 0 0 0 29 44 1 0 0 0 0 29105 1 0 0 0 0 29106 1 0 0 0 0 30 45 1 0 0 0 0 30107 1 0 0 0 0 30108 1 0 0 0 0 31 34 1 0 0 0 0 31 40 1 0 0 0 0 31109 1 0 0 0 0 31110 1 0 0 0 0 32 35 1 0 0 0 0 32 41 1 0 0 0 0 32111 1 0 0 0 0 32112 1 0 0 0 0 33 36 1 0 0 0 0 33 42 1 0 0 0 0 33113 1 0 0 0 0 33114 1 0 0 0 0 34 46 1 0 0 0 0 34115 1 0 0 0 0 34116 1 0 0 0 0 35 47 1 0 0 0 0 35117 1 0 0 0 0 35118 1 0 0 0 0 36 48 1 0 0 0 0 36119 1 0 0 0 0 36120 1 0 0 0 0 37 52 1 0 0 0 0 37121 1 0 0 0 0 37122 1 0 0 0 0 38 53 1 0 0 0 0 38123 1 0 0 0 0 38124 1 0 0 0 0 39 54 1 0 0 0 0 39125 1 0 0 0 0 39126 1 0 0 0 0 40 49 1 0 0 0 0 40127 1 0 0 0 0 40128 1 0 0 0 0 41 50 1 0 0 0 0 41129 1 0 0 0 0 41130 1 0 0 0 0 42 51 1 0 0 0 0 42131 1 0 0 0 0 42132 1 0 0 0 0 43 58 1 0 0 0 0 43133 1 0 0 0 0 43134 1 0 0 0 0 44 59 1 0 0 0 0 44135 1 0 0 0 0 44136 1 0 0 0 0 45 60 1 0 0 0 0 45137 1 0 0 0 0 45138 1 0 0 0 0 46 55 1 0 0 0 0 46139 1 0 0 0 0 46140 1 0 0 0 0 47 56 1 0 0 0 0 47141 1 0 0 0 0 47142 1 0 0 0 0 48 57 1 0 0 0 0 48143 1 0 0 0 0 48144 1 0 0 0 0 49 65 1 0 0 0 0 49145 1 0 0 0 0 49146 1 0 0 0 0 50 66 1 0 0 0 0 50147 1 0 0 0 0 50148 1 0 0 0 0 51 67 1 0 0 0 0 51149 1 0 0 0 0 51150 1 0 0 0 0 52 75 1 0 0 0 0 52151 1 0 0 0 0 52152 1 0 0 0 0 53 76 1 0 0 0 0 53153 1 0 0 0 0 53154 1 0 0 0 0 54 77 1 0 0 0 0 54155 1 0 0 0 0 54156 1 0 0 0 0 55 72 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 73 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 74 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 65 2 0 0 0 0 58163 1 0 0 0 0 59 66 2 0 0 0 0 59164 1 0 0 0 0 60 67 2 0 0 0 0 60165 1 0 0 0 0 61 63 1 0 0 0 0 61 68 1 0 0 0 0 61166 1 0 0 0 0 62 64 1 0 0 0 0 62 69 1 0 0 0 0 62167 1 0 0 0 0 63 70 1 0 0 0 0 63168 1 0 0 0 0 64 71 1 0 0 0 0 64169 1 0 0 0 0 65170 1 0 0 0 0 66171 1 0 0 0 0 67172 1 0 0 0 0 68 78 1 0 0 0 0 68173 1 0 0 0 0 69 79 1 0 0 0 0 69174 1 0 0 0 0 70 80 1 0 0 0 0 70175 1 0 0 0 0 71 81 1 0 0 0 0 71176 1 0 0 0 0 72 82 1 0 0 0 0 72177 1 0 0 0 0 72178 1 0 0 0 0 73 83 1 0 0 0 0 73179 1 0 0 0 0 73180 1 0 0 0 0 74 84 1 0 0 0 0 74181 1 0 0 0 0 74182 1 0 0 0 0 75183 1 0 0 0 0 75184 1 0 0 0 0 75185 1 0 0 0 0 76186 1 0 0 0 0 76187 1 0 0 0 0 76188 1 0 0 0 0 77189 1 0 0 0 0 77190 1 0 0 0 0 77191 1 0 0 0 0 78192 1 0 0 0 0 78193 1 0 0 0 0 79194 1 0 0 0 0 79195 1 0 0 0 0 80196 1 0 0 0 0 80197 1 0 0 0 0 81198 1 0 0 0 0 81199 1 0 0 0 0 M END $$$$ E0B2KS -OEChem-05082103052D 13 13 0 0 0 0 0 0 0999 V2000 2.8660 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0B2SX -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0B5CE -OEChem-05082103132D 27 26 0 0 0 0 0 0 0999 V2000 8.1282 -1.0241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9923 -1.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 -0.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 18 1 0 0 0 0 4 20 1 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 23 2 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 M CHG 8 2 1 3 1 4 -1 5 -1 8 -1 10 -1 12 1 13 1 M END $$$$ E0B6RA -OEChem-05082103132D 17 16 0 0 0 0 0 0 0999 V2000 3.7320 2.9050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0B6VR -OEChem-05082103122D 119118 0 1 0 0 0 0 0999 V2000 20.1865 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 21.0526 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -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 8.9282 -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 27.1147 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 8.0622 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 26.2487 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 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 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 24.5167 -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 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 -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 23.6506 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 34.0429 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 22.7846 -0.2500 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 34.9090 -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 21.9186 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 35.7750 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 21.0526 -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 19.3205 -0.2500 0.0000 C 0 0 3 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -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 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 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 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 29.3143 -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 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 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 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 30.9774 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 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 7.5947 -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 25.7812 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 32.7784 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 -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 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 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 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 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 22.3861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 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 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 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 36.0850 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4650 0.7869 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 19.8574 -0.5600 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 18.7005 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 41 1 0 0 0 0 2 40 1 0 0 0 0 2 42 1 0 0 0 0 3 39 2 0 0 0 0 4 40 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 10 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 12 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 13 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 14 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 15 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 16 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 17 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 18 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 19 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 20 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 22 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 21 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 23 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 24 1 0 0 0 0 20 74 1 0 0 0 0 20 75 1 0 0 0 0 21 25 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 22 27 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 26 1 0 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 24 28 1 0 0 0 0 24 82 1 0 0 0 0 24 83 1 0 0 0 0 25 29 1 0 0 0 0 25 84 1 0 0 0 0 25 85 1 0 0 0 0 26 30 1 0 0 0 0 26 86 1 0 0 0 0 26 87 1 0 0 0 0 27 31 1 0 0 0 0 27 88 1 0 0 0 0 27 89 1 0 0 0 0 28 32 1 0 0 0 0 28 90 1 0 0 0 0 28 91 1 0 0 0 0 29 33 1 0 0 0 0 29 92 1 0 0 0 0 29 93 1 0 0 0 0 30 34 1 0 0 0 0 30 94 1 0 0 0 0 30 95 1 0 0 0 0 31 35 1 0 0 0 0 31 96 1 0 0 0 0 31 97 1 0 0 0 0 32 36 1 0 0 0 0 32 98 1 0 0 0 0 32 99 1 0 0 0 0 33 37 1 0 0 0 0 33100 1 0 0 0 0 33101 1 0 0 0 0 34 38 1 0 0 0 0 34102 1 0 0 0 0 34103 1 0 0 0 0 35 39 1 0 0 0 0 35104 1 0 0 0 0 35105 1 0 0 0 0 36 40 1 0 0 0 0 36106 1 0 0 0 0 36107 1 0 0 0 0 37108 1 0 0 0 0 37109 1 0 0 0 0 37110 1 0 0 0 0 38111 1 0 0 0 0 38112 1 0 0 0 0 38113 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41114 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 M END $$$$ E0B7AO -OEChem-05082103142D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.5173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.5173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.4586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 2.0173 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -2.0102 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.5068 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.0173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9321 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.1719 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 29 1 0 0 0 0 5 25 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 30 1 0 0 0 0 13 31 2 0 0 0 0 14 35 1 0 0 0 0 15 35 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 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 23 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 21 27 2 0 0 0 0 22 28 1 0 0 0 0 22 36 1 0 0 0 0 23 29 2 0 0 0 0 23 37 1 0 0 0 0 24 32 1 0 0 0 0 24 35 1 0 0 0 0 25 33 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 M CHG 4 9 1 10 1 12 -1 14 -1 M END $$$$ E0B9GO -OEChem-05082103102D 9 6 0 0 0 0 0 0 0999 V2000 0.0000 2.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.5000 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5000 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3660 4.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 M CHG 7 1 2 2 -1 3 -1 4 -1 5 -1 8 1 9 1 M END $$$$ E0BA0I -OEChem-05082103112D 57 56 0 0 0 0 0 0 0999 V2000 16.7224 0.2500 0.0000 O 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 0.7500 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 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 5.4641 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 4.5981 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 3.7320 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 2.8660 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 0.7500 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 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 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 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 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 7 31 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 12 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 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 17 1 0 0 0 0 13 42 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 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 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 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 M END $$$$ E0BG2A -OEChem-05082103092D 56 55 0 0 0 0 0 0 0999 V2000 16.7224 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 O 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 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 6.3301 -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 9.7942 -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 10.6603 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 11.5263 -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 12.3923 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 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 14.9904 -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 7.6636 -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 7.5947 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 9.3267 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 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 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 9.3957 -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 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 11.0588 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 4.1306 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 11.1278 -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 2.8660 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 13.6569 -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 13.7258 0.7249 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 6 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 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 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 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 12 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 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 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 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 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 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 18 52 1 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 19 55 1 0 0 0 0 M END $$$$ E0BG7D -OEChem-05082103162D 24 22 0 0 0 0 0 0 0999 V2000 6.2854 0.9516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 5.5079 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 7.0955 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5961 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 8.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 1.7563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 8.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 8.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 5 11 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 M RAD 1 2 2 M END $$$$ E0BI3X -OEChem-05082103122D 39 39 0 1 0 0 0 0 0999 V2000 5.4641 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 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 6.3301 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 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 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 2 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 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 5.4641 2.1900 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 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8100 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 5.4641 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 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 4.2690 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5000 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 5.6762 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5000 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 3.7320 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.8469 0.0000 H 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 6.6401 -0.7731 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 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 19 2 0 0 0 0 8 6 1 6 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 10 7 1 1 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 13 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 12 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 19 1 0 0 0 0 14 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 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 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 M END $$$$ E0BP8N -OEChem-05082103142D 60 59 0 0 0 0 0 0 0999 V2000 3.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 O 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 -2.2500 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 14.1244 1.7500 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 9.7942 -2.7500 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 14.9904 2.2500 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 10.6603 -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 14.9904 3.2500 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 11.5263 -2.7500 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 15.8564 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 2.8660 -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 14.3364 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -1.3577 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5600 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 5.8626 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.2250 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 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 25 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 27 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 14 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 17 2 0 0 0 0 16 49 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 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 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 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 M END $$$$ E0BQ1W -OEChem-05082103142D 49 50 0 1 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5950 0.0000 C 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 5.4641 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5250 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 5.1350 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5950 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 6.5380 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.5950 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 7.1131 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.7150 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 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 26 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 6 17 1 0 0 0 0 6 39 1 0 0 0 0 7 18 1 0 0 0 0 7 40 1 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 23 1 0 0 0 0 9 27 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 24 2 0 0 0 0 13 25 2 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 21 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 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 24 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 25 1 0 0 0 0 22 36 1 0 0 0 0 23 37 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 $$$$ E0BR5J -OEChem-05082103122D 54 54 0 0 0 0 0 0 0999 V2000 4.2690 2.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.4050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2690 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -3.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -2.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9651 0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -0.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 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 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 C 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 5.1350 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5950 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 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2150 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 24 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 32 1 0 0 0 0 6 54 1 0 0 0 0 15 33 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 34 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 30 2 0 0 0 0 17 53 1 0 0 0 0 18 19 2 3 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 26 2 0 0 0 0 20 29 1 0 0 0 0 21 27 2 0 0 0 0 21 31 1 0 0 0 0 22 24 2 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 30 1 0 0 0 0 25 30 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 32 1 0 0 0 0 27 41 1 0 0 0 0 28 33 2 0 0 0 0 29 35 2 0 0 0 0 29 42 1 0 0 0 0 31 36 2 0 0 0 0 31 43 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 44 1 0 0 0 0 36 45 1 0 0 0 0 37 46 1 0 0 0 0 37 47 1 0 0 0 0 37 48 1 0 0 0 0 M CHG 4 4 1 5 1 7 -1 12 -1 M END $$$$ E0BS4M -OEChem-05082103172D 66 65 0 1 0 0 0 0 0999 V2000 13.2583 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 5 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 11.5263 1.5000 0.0000 C 0 0 3 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 11.5263 0.5000 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 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 7.1962 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 2.0000 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 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 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 4.5981 1.5000 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 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8564 2.0000 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 12.0632 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.4631 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 9.2382 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 65 1 0 0 0 0 4 26 1 0 0 0 0 4 66 1 0 0 0 0 5 27 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 16 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 12 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 13 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 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 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 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 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 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 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 24 61 1 0 0 0 0 25 26 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 M CHG 1 5 -1 M END $$$$ E0BS9U -OEChem-05082103122D 24 23 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 19 1 0 0 0 0 8 2 1 6 0 0 0 2 20 1 0 0 0 0 9 3 1 1 0 0 0 3 22 1 0 0 0 0 10 4 1 6 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0BT1Y -OEChem-05082103142D 39 40 0 1 0 0 0 0 0999 V2000 2.9665 1.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 0.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6754 -0.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9404 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 1.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -0.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 0.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 1.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 -0.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 2.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 2.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 2.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 1.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -1.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 -2.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 -0.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5939 0.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -2.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 6 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 1 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 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 6 24 1 0 0 0 0 7 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 13 2 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 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 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 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$ E0BX6Q -OEChem-04012200522D 54 51 0 1 0 0 0 0 0999 V2000 8.9282 5.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 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 9.7942 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4282 4.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 6.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 6.5000 0.0000 O 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 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 2.8660 -4.0000 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 -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 2.0000 -5.5000 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 2.0000 -6.5000 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 8.0622 5.0000 0.0000 C 0 0 3 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 7.1962 5.5000 0.0000 C 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 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 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 3.9441 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -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 3.0781 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 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 6.1181 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.8923 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 8.2742 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.6200 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 24 1 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 9 26 1 0 0 0 0 10 26 2 0 0 0 0 11 12 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 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 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 17 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 19 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 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 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 25 1 0 0 0 0 23 52 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 M CHG 4 2 1 3 1 6 -1 9 -1 M END $$$$ E0BZ1I -OEChem-05082103142D 77 76 0 1 0 0 0 0 0999 V2000 16.7224 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5885 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8564 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.5950 0.0000 C 0 0 1 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 4.5981 0.4050 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 11.5263 -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 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.5950 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 2.8660 2.4050 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 12.3923 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.0950 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 6.3301 -2.5950 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 13.2583 -2.5950 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 16.1855 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.9050 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 3.5200 0.3224 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 4.8101 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.4876 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 4.3860 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8224 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 5.6762 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.9876 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 4.9272 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1855 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 70 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 9 3 1 6 0 0 0 3 71 1 0 0 0 0 10 4 1 6 0 0 0 4 72 1 0 0 0 0 14 5 1 1 0 0 0 5 73 1 0 0 0 0 6 26 1 0 0 0 0 6 77 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 32 1 0 0 0 0 9 14 1 0 0 0 0 9 33 1 0 0 0 0 10 21 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 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 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 26 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 25 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 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 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 28 1 0 0 0 0 22 56 1 0 0 0 0 22 57 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 29 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 30 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 31 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 29 2 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 M END $$$$ E0C0WM -OEChem-05082103122D 20 19 0 0 0 0 0 0 0999 V2000 3.2152 0.9516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 1.7563 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.0252 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 5.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 1.7563 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 5.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 5.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 5 10 2 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$ E0C1GK -OEChem-05082103082D 16 13 0 0 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0C1JQ -OEChem-05082103102D 63 62 0 0 0 0 0 0 0999 V2000 5.1350 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -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 13.7953 0.7500 0.0000 C 0 0 0 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 14.6613 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.7500 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 16.3933 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.7500 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 18.1254 0.2500 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 18.9914 0.7500 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 19.8574 0.2500 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 20.7235 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 4.2690 0.2500 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 14.1938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2250 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 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 23 1 0 0 0 0 3 63 1 0 0 0 0 4 5 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 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 7 31 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 12 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 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 16 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 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 21 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 20 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 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 M END $$$$ E0C1PK -OEChem-05082103132D 5 3 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0C2MQ -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0C3AX -OEChem-05082103052D 38 37 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 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 9.4651 0.7500 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 10.3312 0.2500 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 11.1972 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 12.0632 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 12.9292 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 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 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 9.8637 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 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.2249 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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 13.2392 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 1.2869 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 14 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 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 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 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 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 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M END $$$$ E0C3HB -OEChem-05082103082D 59 58 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 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 0.7500 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 9.7942 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 10.6603 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 11.5263 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 12.3923 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 13.2583 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 14.1244 0.7500 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 14.9904 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 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 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 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 16.1855 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1024 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 -0.7500 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 18 2 0 0 0 0 3 4 1 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 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 7 31 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 12 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 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 16 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 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 M END $$$$ E0C3YK -OEChem-05082103072D 13 12 0 0 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 M END $$$$ E0C5QF -OEChem-05082103062D 14 13 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E0C6LP -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0C6OP -OEChem-05082103082D 23 22 0 1 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E0C8PM -OEChem-05082103162D 29 19 0 1 0 0 0 0 0999 V2000 8.2094 1.8100 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.3434 1.3100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0749 5.1200 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 0.5369 4.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 4.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2089 5.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9409 5.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3434 0.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4774 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 4.3825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 8 1 -1 2 3 3 3 7 -1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0CB4I -OEChem-05082103122D 207215 0 1 0 0 0 0 0999 V2000 16.3933 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 3.9050 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 23.3215 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 8.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.4050 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 12.9292 -6.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 4.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 5.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5895 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 -0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 1.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5273 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -1.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -6.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3215 2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1876 2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1876 3.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3215 4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 5.9050 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 5.1350 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5895 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 5.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 5.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -6.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3215 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -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 18.9914 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 4.7150 0.0000 H 0 0 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0 0 0 0 80 81 1 0 0 0 0 80 83 1 0 0 0 0 80136 1 0 0 0 0 81137 1 0 0 0 0 82138 1 0 0 0 0 83 95 1 1 0 0 0 83139 1 0 0 0 0 84140 1 0 0 0 0 84141 1 0 0 0 0 85142 1 0 0 0 0 85143 1 0 0 0 0 86144 1 0 0 0 0 86145 1 0 0 0 0 87146 1 0 0 0 0 87147 1 0 0 0 0 88 92 1 0 0 0 0 88 93 1 0 0 0 0 88148 1 0 0 0 0 89150 1 0 0 0 0 89151 1 0 0 0 0 90 94 1 0 0 0 0 90158 1 0 0 0 0 91159 1 0 0 0 0 91160 1 0 0 0 0 92 96 1 0 0 0 0 92161 1 0 0 0 0 93102 1 6 0 0 0 93164 1 0 0 0 0 94 97 1 0 0 0 0 94167 1 0 0 0 0 95170 1 0 0 0 0 95171 1 0 0 0 0 96100 1 0 0 0 0 96172 1 0 0 0 0 97 98 1 0 0 0 0 97173 1 0 0 0 0 98 99 1 0 0 0 0 98179 1 0 0 0 0 99103 1 6 0 0 0 99180 1 0 0 0 0 100182 1 0 0 0 0 102184 1 0 0 0 0 102185 1 0 0 0 0 103193 1 0 0 0 0 103194 1 0 0 0 0 104205 1 0 0 0 0 104206 1 0 0 0 0 104207 1 0 0 0 0 M END $$$$ E0CD9V -OEChem-05082103162D 151152 0 1 0 0 0 0 0999 V2000 20.9186 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1787 1.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4186 2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -3.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4506 2.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7718 -0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.3544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2276 1.3055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4186 1.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6096 1.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0526 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0526 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8696 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3205 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6585 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5638 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3070 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2580 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0012 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9522 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6954 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6464 1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3896 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3406 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0838 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0348 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7780 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7290 2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4722 3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4233 2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1664 3.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1175 3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8606 3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6660 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9710 2.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1712 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5786 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3582 -0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -1.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0389 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5722 1.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3076 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9555 3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8609 2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5981 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8184 1.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9670 0.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7466 0.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2923 1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5126 1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6612 0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4408 0.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9865 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2068 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3554 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1350 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6807 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9010 2.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0496 1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8292 1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3749 3.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5952 2.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7438 1.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5234 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0691 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2894 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4380 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2176 2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7633 3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9836 3.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1322 2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9118 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.4575 4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6778 3.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.8264 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6060 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.2755 3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3214 4.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4457 4.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6825 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 14 2 1 6 0 0 0 18 2 1 6 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 15 4 1 6 0 0 0 4 74 1 0 0 0 0 16 5 1 1 0 0 0 5 77 1 0 0 0 0 6 20 1 0 0 0 0 6 26 1 0 0 0 0 19 7 1 6 0 0 0 7 78 1 0 0 0 0 21 8 1 1 0 0 0 8 79 1 0 0 0 0 22 9 1 6 0 0 0 9 80 1 0 0 0 0 10 24 1 0 0 0 0 10 81 1 0 0 0 0 11 25 1 0 0 0 0 11 29 1 0 0 0 0 12 26 2 0 0 0 0 13 29 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 62 1 0 0 0 0 16 17 1 0 0 0 0 16 63 1 0 0 0 0 17 24 1 6 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 65 1 0 0 0 0 19 21 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 22 1 0 0 0 0 21 69 1 0 0 0 0 22 23 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 1 0 0 0 23 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 30 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 33 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 32 34 1 0 0 0 0 32 90 1 0 0 0 0 32 91 1 0 0 0 0 33 35 1 0 0 0 0 33 92 1 0 0 0 0 33 93 1 0 0 0 0 34 36 1 0 0 0 0 34 94 1 0 0 0 0 34 95 1 0 0 0 0 35 37 1 0 0 0 0 35 96 1 0 0 0 0 35 97 1 0 0 0 0 36 38 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 37 39 1 0 0 0 0 37100 1 0 0 0 0 37101 1 0 0 0 0 38 40 1 0 0 0 0 38102 1 0 0 0 0 38103 1 0 0 0 0 39 41 1 0 0 0 0 39104 1 0 0 0 0 39105 1 0 0 0 0 40 43 1 0 0 0 0 40106 1 0 0 0 0 40107 1 0 0 0 0 41 42 1 0 0 0 0 41108 1 0 0 0 0 41109 1 0 0 0 0 42 44 1 0 0 0 0 42110 1 0 0 0 0 42111 1 0 0 0 0 43 45 1 0 0 0 0 43112 1 0 0 0 0 43113 1 0 0 0 0 44 46 1 0 0 0 0 44114 1 0 0 0 0 44115 1 0 0 0 0 45 48 1 0 0 0 0 45116 1 0 0 0 0 45117 1 0 0 0 0 46 47 1 0 0 0 0 46118 1 0 0 0 0 46119 1 0 0 0 0 47 49 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48 50 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 49 51 1 0 0 0 0 49124 1 0 0 0 0 49125 1 0 0 0 0 50 52 1 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 51 53 1 0 0 0 0 51128 1 0 0 0 0 51129 1 0 0 0 0 52 54 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 53 55 1 0 0 0 0 53132 1 0 0 0 0 53133 1 0 0 0 0 54 56 1 0 0 0 0 54134 1 0 0 0 0 54135 1 0 0 0 0 55 57 1 0 0 0 0 55136 1 0 0 0 0 55137 1 0 0 0 0 56 58 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 57 59 1 0 0 0 0 57140 1 0 0 0 0 57141 1 0 0 0 0 58 60 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59 61 1 0 0 0 0 59144 1 0 0 0 0 59145 1 0 0 0 0 60146 1 0 0 0 0 60147 1 0 0 0 0 60148 1 0 0 0 0 61149 1 0 0 0 0 61150 1 0 0 0 0 61151 1 0 0 0 0 M END $$$$ E0CE4F -OEChem-05082103152D 174184 0 1 0 0 0 0 0999 V2000 12.9292 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.0000 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 10.3312 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.5000 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 10.3312 -5.5000 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 17.2594 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.5000 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 11.1972 -7.0000 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 18.9914 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -9.5000 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 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 19.8574 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.5000 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 22.4555 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5000 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 15.5273 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 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 9.4651 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0000 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 15.5273 2.5000 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 11.1972 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.0000 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 12.9292 -5.0000 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 17.2594 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.0000 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 9.4651 4.0000 0.0000 C 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 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.0000 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 10.3312 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5000 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 18.1254 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.0000 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 12.0632 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.0000 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 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.0000 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 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.0000 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 21.5895 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.0000 0.0000 C 0 0 0 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 14.6613 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.1200 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 10.5866 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -5.1900 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 19.5284 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -8.3100 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 4.2690 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.8100 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 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -9.1200 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 22.4555 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 47 2 1 1 0 0 0 2 53 1 0 0 0 0 48 3 1 6 0 0 0 3 54 1 0 0 0 0 49 4 1 6 0 0 0 4 55 1 0 0 0 0 51 5 1 1 0 0 0 5 56 1 0 0 0 0 6 52 1 0 0 0 0 6 60 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 56 2 0 0 0 0 11 60 2 0 0 0 0 12 71 1 0 0 0 0 12 88 1 0 0 0 0 13 72 1 0 0 0 0 13 89 1 0 0 0 0 14 75 1 0 0 0 0 14 90 1 0 0 0 0 15 73 1 0 0 0 0 15140 1 0 0 0 0 16 74 1 0 0 0 0 16141 1 0 0 0 0 17 76 1 0 0 0 0 17142 1 0 0 0 0 18 81 1 0 0 0 0 18 91 1 0 0 0 0 19 79 1 0 0 0 0 19143 1 0 0 0 0 20 80 1 0 0 0 0 20144 1 0 0 0 0 21 82 1 0 0 0 0 21145 1 0 0 0 0 22 83 1 0 0 0 0 22146 1 0 0 0 0 23 84 1 0 0 0 0 23147 1 0 0 0 0 24 85 1 0 0 0 0 24 94 1 0 0 0 0 25 86 1 0 0 0 0 25148 1 0 0 0 0 26 87 1 0 0 0 0 26149 1 0 0 0 0 27 88 2 0 0 0 0 28 89 2 0 0 0 0 29 90 2 0 0 0 0 30 91 2 0 0 0 0 31 94 2 0 0 0 0 32106 1 0 0 0 0 32160 1 0 0 0 0 33107 1 0 0 0 0 33161 1 0 0 0 0 34108 1 0 0 0 0 34162 1 0 0 0 0 35109 1 0 0 0 0 35163 1 0 0 0 0 36110 1 0 0 0 0 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0 0 0 0 70137 1 0 0 0 0 71 79 1 0 0 0 0 72 80 1 0 0 0 0 73 79 2 0 0 0 0 74 80 2 0 0 0 0 75 83 1 0 0 0 0 76 83 2 0 0 0 0 77 85 2 0 0 0 0 77138 1 0 0 0 0 78 86 1 0 0 0 0 78139 1 0 0 0 0 81 84 1 0 0 0 0 82 84 2 0 0 0 0 85 87 1 0 0 0 0 86 87 2 0 0 0 0 88 92 1 0 0 0 0 89 93 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 98 2 0 0 0 0 92 99 1 0 0 0 0 93100 2 0 0 0 0 93101 1 0 0 0 0 94 97 1 0 0 0 0 95102 2 0 0 0 0 95103 1 0 0 0 0 96104 2 0 0 0 0 96105 1 0 0 0 0 97112 2 0 0 0 0 97113 1 0 0 0 0 98107 1 0 0 0 0 98150 1 0 0 0 0 99106 2 0 0 0 0 99151 1 0 0 0 0 100109 1 0 0 0 0 100152 1 0 0 0 0 101108 2 0 0 0 0 101153 1 0 0 0 0 102111 1 0 0 0 0 102154 1 0 0 0 0 103110 2 0 0 0 0 103155 1 0 0 0 0 104117 1 0 0 0 0 104156 1 0 0 0 0 105116 2 0 0 0 0 105157 1 0 0 0 0 106114 1 0 0 0 0 107114 2 0 0 0 0 108115 1 0 0 0 0 109115 2 0 0 0 0 110118 1 0 0 0 0 111118 2 0 0 0 0 112121 1 0 0 0 0 112158 1 0 0 0 0 113120 2 0 0 0 0 113159 1 0 0 0 0 116119 1 0 0 0 0 117119 2 0 0 0 0 120122 1 0 0 0 0 121122 2 0 0 0 0 M END $$$$ E0CM2S -OEChem-05082103072D 16 15 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0CR4U -OEChem-05082103052D 17 17 0 0 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E0CT8R -OEChem-05082103152D 54 52 0 0 0 0 0 0 0999 V2000 2.0000 -2.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 O 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 0.2500 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 8.0622 -2.2500 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 12.3923 -0.7500 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 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.2500 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 9.7942 -2.2500 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 14.1244 3.2500 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 10.6603 -2.7500 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 14.9904 3.7500 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 13.4704 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 9 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 12 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 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 13 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 16 1 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 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 18 2 0 0 0 0 17 48 1 0 0 0 0 18 49 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 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0CU0W -OEChem-05082103072D 14 13 0 1 0 0 0 0 0999 V2000 6.0010 0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E0CU1W -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0CW9H -OEChem-05082103082D 44 43 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 9.4651 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 10.3312 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 11.1972 0.7500 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 12.0632 0.2500 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 12.9292 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 13.7953 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 14.6613 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 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 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2250 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.2249 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 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 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 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -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 14.9713 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 1.2869 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 16 1 0 0 0 0 1 44 1 0 0 0 0 2 16 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 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 M END $$$$ E0CY1T -OEChem-05082103152D 25 23 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 6 0 0 0 3 22 1 0 0 0 0 11 4 1 1 0 0 0 4 23 1 0 0 0 0 12 5 1 6 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 2 1 1 7 -1 M END $$$$ E0CZ6G -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0CZ9M -OEChem-05082103152D 19 17 0 1 0 0 0 0 0999 V2000 6.3301 1.5600 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.0600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 11 2 0 0 0 0 8 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0D0FA -OEChem-05082103122D 18 17 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 15 1 0 0 0 0 6 2 1 6 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0D0JM -OEChem-05082103152D 48 49 0 0 0 0 0 0 0999 V2000 2.8660 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 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 2.3660 -2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 O 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 6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 N 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 9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2500 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 2.7500 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 11.5263 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 5.4641 -2.2500 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 -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 3.7320 -2.2500 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 4.5981 -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 8.0622 -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 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.9400 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 4.5981 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 5 2 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 4 28 2 0 0 0 0 7 29 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 46 1 0 0 0 0 10 22 2 0 0 0 0 11 27 2 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 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 21 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 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 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0D0JV -OEChem-05082103152D 105102 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 9.7942 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 10.6603 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 11.5263 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 27.1147 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 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 28.8468 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 24.5167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 23.6506 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 30.5788 0.2500 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 22.7846 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 31.4449 0.7500 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 21.9186 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 32.3109 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 33.1769 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 33.4869 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7138 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8669 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 38 1 0 0 0 0 3 38 2 0 0 0 0 4 39 1 0 0 0 0 5 39 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 11 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 17 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 19 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 52 1 0 0 0 0 13 53 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 18 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 20 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 22 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 21 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 24 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 23 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 25 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 26 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 27 1 0 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 28 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 29 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 30 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 31 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 32 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 33 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 34 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 35 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 33 37 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 38 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 35 39 1 0 0 0 0 35 98 1 0 0 0 0 35 99 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 M CHG 3 1 2 2 -1 4 -1 M END $$$$ E0D0QF -OEChem-05082103042D 20 19 0 1 0 0 0 0 0999 V2000 2.8660 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0D0QU -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0D2FK -OEChem-05082103132D 66 67 0 1 0 0 0 0 0999 V2000 7.7331 -1.0950 0.0000 O 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 9.4651 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -3.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -1.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 2.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 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 2.8660 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.7850 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 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0250 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 23 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 21 1 0 0 0 0 4 29 1 0 0 0 0 5 18 1 0 0 0 0 5 51 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 7 20 1 0 0 0 0 7 54 1 0 0 0 0 8 22 1 0 0 0 0 8 55 1 0 0 0 0 9 24 1 0 0 0 0 9 56 1 0 0 0 0 10 25 1 0 0 0 0 10 57 1 0 0 0 0 11 28 1 0 0 0 0 11 60 1 0 0 0 0 12 30 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 66 1 0 0 0 0 16 34 2 0 0 0 0 17 18 1 0 0 0 0 17 26 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 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 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 27 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 28 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 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 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 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 65 1 0 0 0 0 M END $$$$ E0D6JV -OEChem-05082103042D 12 11 0 1 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END $$$$ E0D8OB -OEChem-05082103062D 20 20 0 1 0 0 0 0 0999 V2000 2.5896 0.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -0.8605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 1.0656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 0.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9781 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -0.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -1.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1858 -0.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 7 4 1 1 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0D8PK -OEChem-05082103122D 37 41 0 0 0 0 0 0 0999 V2000 7.8167 2.9155 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 2.9155 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -2.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 1.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -2.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -0.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 -3.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8523 -2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8035 -3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1365 1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5972 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 8 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 5 15 2 0 0 0 0 6 25 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 37 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 9 12 1 0 0 0 0 9 16 2 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 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 27 1 0 0 0 0 19 31 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 27 35 1 0 0 0 0 M END $$$$ E0D9CM -OEChem-05082103122D 10 6 0 0 0 0 0 0 0999 V2000 2.0000 -1.7500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 M CHG 6 1 1 4 3 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0DA3A -OEChem-05082103102D 33 32 0 1 0 0 0 0 0999 V2000 3.9399 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9399 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0739 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2700 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4040 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5369 3.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6720 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5380 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.5000 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 6.5380 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.5000 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 5.6720 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 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 5 7 2 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 30 1 0 0 0 0 8 31 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 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 14 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 14 17 2 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 2 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 6 1 -1 2 -1 4 -1 6 1 7 1 8 1 M END $$$$ E0DA7K -OEChem-05082103102D 12 8 0 0 0 0 0 0 0999 V2000 8.0622 -0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 M CHG 6 1 1 4 3 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0DB2E -OEChem-05082103082D 6 3 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0DI4R -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0DR4N -OEChem-05082103062D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 6 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0DS2Q -OEChem-05082103082D 30 29 0 1 0 0 0 0 0999 V2000 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 22 1 0 0 0 0 8 2 1 6 0 0 0 2 23 1 0 0 0 0 9 3 1 6 0 0 0 3 25 1 0 0 0 0 10 4 1 1 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END $$$$ E0DS9Y -OEChem-05082103092D 47 45 0 0 0 0 0 0 0999 V2000 0.8660 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3660 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 4.4399 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9282 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8144 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 4.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 4.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 3.9030 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 2 0 0 0 0 1 5 2 0 0 0 0 2 17 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 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 10 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 12 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 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 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 17 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 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$ E0DW0Y -OEChem-05082103122D 47 47 0 1 0 0 0 0 0999 V2000 4.2690 -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 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 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 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 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 8.5991 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 2 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 7.7331 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 1 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 3.7320 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -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 3.4030 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1300 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 6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.0600 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 -4.5600 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 6.5380 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.3577 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 6.0010 2.3700 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 9.1360 1.5600 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 9.1360 4.5600 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 16 2 1 6 0 0 0 2 20 1 0 0 0 0 12 3 1 1 0 0 0 3 37 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 6 0 0 0 6 42 1 0 0 0 0 19 7 1 1 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 44 1 0 0 0 0 21 9 1 1 0 0 0 9 45 1 0 0 0 0 22 10 1 6 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 1 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0DY5F -OEChem-05082103102D 12 8 0 0 0 0 0 0 0999 V2000 3.0739 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.0739 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0739 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0DZ6I -OEChem-05082103162D 62 63 0 1 0 0 0 0 0999 V2000 11.1972 2.0000 0.0000 Ca 0 2 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 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5000 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 7.7331 -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 2.5369 -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 6.0010 4.0000 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 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 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 O 0 5 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 -5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 O 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 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 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 7.7331 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 4.0000 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 9.4651 2.0000 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 4.5981 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 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 7.4040 0.1900 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 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.1900 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 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.8100 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 4.8059 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1900 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 6.5380 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 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 -4.6200 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 3.7320 -5.3100 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 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 2 1 6 0 0 0 27 2 1 6 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 24 4 1 1 0 0 0 26 4 1 1 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 6 31 1 0 0 0 0 6 35 1 0 0 0 0 22 7 1 1 0 0 0 7 54 1 0 0 0 0 23 8 1 1 0 0 0 8 55 1 0 0 0 0 28 9 1 6 0 0 0 9 56 1 0 0 0 0 29 10 1 6 0 0 0 10 57 1 0 0 0 0 30 11 1 6 0 0 0 11 58 1 0 0 0 0 32 12 1 6 0 0 0 12 59 1 0 0 0 0 33 13 1 1 0 0 0 13 60 1 0 0 0 0 35 14 1 6 0 0 0 14 61 1 0 0 0 0 15 36 1 0 0 0 0 15 62 1 0 0 0 0 16 36 2 0 0 0 0 17 37 1 0 0 0 0 18 37 2 0 0 0 0 19 38 1 0 0 0 0 20 38 2 0 0 0 0 21 22 1 0 0 0 0 21 25 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 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 36 1 6 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 31 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 32 1 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 30 33 1 0 0 0 0 30 48 1 0 0 0 0 31 37 1 1 0 0 0 31 49 1 0 0 0 0 32 35 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 6 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M CHG 3 1 2 17 -1 19 -1 M END $$$$ E0E1QN -OEChem-05082103152D 76 76 0 1 0 0 0 0 0999 V2000 5.0298 -7.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -5.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -6.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -7.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -8.0817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -8.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -5.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 6.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 9.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -6.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -6.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -8.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -8.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -8.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -5.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 2.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 5.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 0.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 5.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -1.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 6.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -2.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8030 8.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4045 7.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 7.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4917 8.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 10.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2611 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 57 1 0 0 0 0 9 3 1 6 0 0 0 3 62 1 0 0 0 0 10 4 1 6 0 0 0 4 65 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 6 0 0 0 8 9 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 12 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 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 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 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 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 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 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 21 56 1 0 0 0 0 22 24 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 23 61 1 0 0 0 0 24 26 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 66 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 26 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 27 71 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 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 M END $$$$ E0E1US -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0E2WT -OEChem-05082103052D 17 17 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ E0E4RQ -OEChem-05082103112D 43 44 0 1 0 0 0 0 0999 V2000 9.5396 4.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -3.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 0.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 2.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -4.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4026 0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 -1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 2.1943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8674 2.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3904 -1.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 3.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -3.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7084 1.1859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 -0.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8184 2.7821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1825 -2.3666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1274 3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 2.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 -3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6594 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7214 2.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7007 -1.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 2.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4918 4.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 -4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0168 1.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4154 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 -0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1201 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 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 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 26 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 32 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 33 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 19 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 23 34 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 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$ E0E5OW -OEChem-05082103042D 14 14 0 0 0 0 0 0 0999 V2000 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0E5YC -OEChem-05082103082D 50 44 0 0 0 0 0 0 0999 V2000 2.8660 -2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 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 8.0622 -2.0000 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 5.4641 3.5000 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 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 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 3.7320 0.5000 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 4.5981 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 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 7.1962 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 -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 4.3860 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 6.0747 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6077 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 5.2520 -1.0826 0.0000 H 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 6.7287 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 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 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 29 2 0 0 0 0 13 30 2 0 0 0 0 14 31 2 0 0 0 0 15 32 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 17 24 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 27 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 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 20 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 23 28 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 31 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 32 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 1 6 -1 8 -1 9 -1 M CHG 2 10 -1 11 -1 M END $$$$ E0E6QG -OEChem-05082103112D 25 24 0 1 0 0 0 0 0999 V2000 6.0010 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$ E0E7EH -OEChem-05082103082D 19 20 0 0 0 0 0 0 0999 V2000 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0E7UZ -OEChem-05082103132D 21 19 0 1 0 0 0 0 0999 V2000 6.0010 2.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 8 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M END $$$$ E0E8TN -OEChem-05082103132D 56 54 0 0 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 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 11.5263 0.7500 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 12.3923 0.2500 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 13.2583 0.7500 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 14.1244 0.2500 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 14.9904 0.7500 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 15.8564 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 16.7224 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 17.5885 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 18.4545 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 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M CHG 2 1 1 2 -1 M END $$$$ E0E9EQ -OEChem-05082103152D 5 3 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0E9LJ -OEChem-05082103132D 9 6 0 1 0 0 0 0 0999 V2000 3.7320 -0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 8 -1 M END $$$$ E0EA8Y -OEChem-05082103112D 115112 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 4.7690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 5.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 4.2690 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6651 5.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 3.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9593 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8253 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6913 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2272 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5574 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4234 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4952 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4545 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1554 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3205 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0215 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8875 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5608 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6947 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0899 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4579 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9559 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7598 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8219 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0249 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1899 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6880 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8530 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0560 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5540 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7569 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1617 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9220 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7190 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6229 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4200 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4965 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8765 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1975 4.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4244 5.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5775 5.8059 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 2 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 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 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 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 22 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 25 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 23 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 27 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 26 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 28 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 30 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 29 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 32 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 31 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 33 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 34 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 35 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 36 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 33 37 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 38 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 35 39 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 36 40 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 41 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 38 42 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39 43 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40 44 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 41 45 1 0 0 0 0 41104 1 0 0 0 0 41105 1 0 0 0 0 42106 1 0 0 0 0 42107 1 0 0 0 0 43108 1 0 0 0 0 43109 1 0 0 0 0 44110 1 0 0 0 0 44111 1 0 0 0 0 44112 1 0 0 0 0 45113 1 0 0 0 0 45114 1 0 0 0 0 45115 1 0 0 0 0 M CHG 3 3 1 6 -1 9 -1 M END $$$$ E0EE4P -OEChem-05082103112D 33 34 0 1 0 0 0 0 0999 V2000 6.4011 -0.3903 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2122 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.3164 0.5127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.7986 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3709 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 1.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2278 0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -0.9767 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2619 0.5925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 0.4046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8896 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1376 -0.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4799 -1.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2798 -2.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 10 2 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 3 11 1 0 0 0 0 3 13 1 0 0 0 0 8 18 2 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 24 2 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 M CHG 3 1 2 4 -1 9 -1 M END $$$$ E0EI2M -OEChem-05082103152D 82 80 0 0 0 0 0 0 0999 V2000 0.5369 5.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5239 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7269 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5929 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2560 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4589 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3249 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1220 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8995 5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1264 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2795 6.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 74 1 0 0 0 0 2 27 2 0 0 0 0 3 28 1 0 0 0 0 3 80 1 0 0 0 0 4 29 1 0 0 0 0 4 81 1 0 0 0 0 5 30 1 0 0 0 0 5 82 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 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 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 26 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 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 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 M END $$$$ E0EO5N -OEChem-05082103142D 7 3 0 0 0 0 0 0 0999 V2000 3.4030 0.4050 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E0EW4S -OEChem-05082103052D 23 23 0 0 0 0 0 0 0999 V2000 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0EZ1L -OEChem-05082103072D 25 24 0 0 0 0 0 0 0999 V2000 2.5369 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0F2PK -OEChem-05082103092D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0F6AN -OEChem-05082103042D 21 20 0 0 0 0 0 0 0999 V2000 4.7690 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0F7XM -OEChem-05082103092D 29 29 0 1 0 0 0 0 0999 V2000 3.0000 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0F7YE -OEChem-05272104372D 81 80 0 1 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 7.1962 0.0000 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 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 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 3 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0000 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 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 6.3301 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0000 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 2.8660 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 21.9186 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 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 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 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 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 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 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 6.0747 -0.8923 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 3.3335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 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 2.3100 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0946 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 70 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 27 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 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 39 1 0 0 0 0 9 40 1 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 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 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 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 17 55 1 0 0 0 0 18 25 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 24 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 26 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 28 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 29 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 M END $$$$ E0F9IA -OEChem-05082103162D 43 42 0 1 0 0 0 0 0999 V2000 10.6603 0.5000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 O 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 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 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 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 O 0 5 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 2.8660 -1.0000 0.0000 O 0 5 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 7.1962 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 1 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 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 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 6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6200 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 8.5991 1.3100 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 6.3301 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3800 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 4.9272 0.8100 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 6.0010 -3.8100 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 5.4641 3.1200 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 16 3 1 1 0 0 0 17 3 1 1 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 18 6 1 6 0 0 0 6 38 1 0 0 0 0 19 7 1 1 0 0 0 7 39 1 0 0 0 0 20 8 1 1 0 0 0 8 40 1 0 0 0 0 22 9 1 6 0 0 0 9 41 1 0 0 0 0 23 10 1 6 0 0 0 10 42 1 0 0 0 0 25 11 1 6 0 0 0 11 43 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 21 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 23 1 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 22 1 0 0 0 0 20 32 1 0 0 0 0 21 26 1 6 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 27 1 1 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M CHG 4 1 1 2 1 12 -1 14 -1 M END $$$$ E0F9TP -OEChem-05082103132D 43 41 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 2.0000 -0.0000 0.0000 Na 0 3 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 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 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 11.5263 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 12.3923 -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 13.2583 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 14.1244 -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 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 7.5947 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 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 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 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 15.3004 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 1.0369 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 3 17 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 10 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 12 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 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 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 17 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 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0FC7K -OEChem-04012200572D 74 73 0 1 0 0 0 0 0999 V2000 7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 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 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 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 18.4545 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 3 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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0000 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 -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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -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 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 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 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 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 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4749 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 6.0747 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3626 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 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 2.3100 -0.5369 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 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 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 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 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 17 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 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 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 60 1 0 0 0 0 20 61 1 0 0 0 0 22 25 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 26 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 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 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 M END $$$$ E0FE5M -OEChem-05082103092D 57 55 0 0 0 0 0 0 0999 V2000 6.7821 0.0000 0.0000 Br 0 5 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 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 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 6.5991 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 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 8.3312 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 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 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 4.3996 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 4.8779 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 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 6.2006 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 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 7.9326 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2173 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 3.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8373 4.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 4 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 22 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 5 25 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 8 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 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 14 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 16 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 18 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 19 57 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0FG5H -OEChem-05082103092D 58 57 0 0 0 0 0 0 0999 V2000 10.0021 7.0785 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 6.5991 11.0369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 9.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 14.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 14.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 17 2 0 0 0 0 2 18 1 0 0 0 0 3 4 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 6 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 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 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 11 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 13 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 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 16 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 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 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 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 M CHG 2 1 -1 2 1 M END $$$$ E0FG5X -OEChem-05082103062D 15 14 0 0 0 0 0 0 0999 V2000 2.0000 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0FH4N -OEChem-05082103152D 66 64 0 1 0 0 0 0 0999 V2000 9.7942 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2500 0.0000 Na 0 3 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 8.0622 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7500 0.0000 O 0 5 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 10.2942 2.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 4.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 3 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 -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 8.0622 -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 3.7320 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 7.1962 -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 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 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 8.0622 -2.7500 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 8.0622 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 5.4641 -4.2500 0.0000 C 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 6.6592 -0.9400 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 6.1181 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.8577 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 8.6728 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.3577 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 2.4675 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.3577 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 4.2881 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -2.7500 0.0000 H 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 8.6822 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.2869 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 2.3100 2.2131 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 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 22 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 7 27 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 23 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 24 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 21 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 28 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 29 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 26 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 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 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 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E0FJ3L -OEChem-05082103162D 20 10 0 0 0 0 0 0 0999 V2000 5.0311 3.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 5.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 6.3301 7.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 5.8971 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 3.7320 7.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 4.5981 6.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 5.5680 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 4 14 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 M CHG 5 5 3 6 3 16 -2 17 -2 18 -2 M END $$$$ E0FL9Q -OEChem-05082103092D 48 48 0 0 0 0 0 0 0999 V2000 2.8660 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 2.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 3.8882 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 3.7320 -0.5000 0.0000 N 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 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 3.7320 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 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4792 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 3.7320 -3.5000 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 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 -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 5.4641 -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 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.1671 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 5.1350 -1.6900 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 5.1541 -4.0369 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 5.7741 -2.9631 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 2.8660 0.3800 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 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 21 1 0 0 0 0 5 19 1 0 0 0 0 5 48 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 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 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 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 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 38 1 0 0 0 0 29 37 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E0FM1S -OEChem-05082103062D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0FU3S -OEChem-05082103112D 124129 0 1 0 0 0 0 0999 V2000 7.9805 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8816 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0054 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0175 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8777 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9055 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7935 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8056 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9897 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8857 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7858 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7898 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1495 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8657 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8899 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0149 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9180 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4247 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9482 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7459 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1145 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2484 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3824 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3824 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9805 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5164 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8465 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1145 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9805 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2484 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6449 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4056 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0213 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2636 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4002 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9757 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4759 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7557 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7579 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4742 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1012 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9228 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9132 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9592 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4297 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6514 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6699 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2495 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 9.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 1 0 0 0 48 1 1 6 0 0 0 2 33 2 0 0 0 0 3 48 1 0 0 0 0 3 51 1 0 0 0 0 4 47 1 0 0 0 0 4106 1 0 0 0 0 5 47 2 0 0 0 0 49 6 1 6 0 0 0 53 6 1 1 0 0 0 50 7 1 1 0 0 0 7111 1 0 0 0 0 52 8 1 6 0 0 0 8112 1 0 0 0 0 9 53 1 0 0 0 0 9 57 1 0 0 0 0 10 54 1 0 0 0 0 10116 1 0 0 0 0 11 54 2 0 0 0 0 55 12 1 6 0 0 0 12118 1 0 0 0 0 56 13 1 1 0 0 0 13119 1 0 0 0 0 58 14 1 6 0 0 0 14120 1 0 0 0 0 15 59 1 0 0 0 0 15121 1 0 0 0 0 16 59 2 0 0 0 0 17122 1 0 0 0 0 17123 1 0 0 0 0 17124 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 1 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 30 1 0 0 0 0 19 36 1 1 0 0 0 20 33 1 0 0 0 0 20 60 1 6 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 21 37 1 6 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 61 1 6 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 32 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 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 38 2 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 66 1 1 0 0 0 28 31 1 0 0 0 0 28 40 1 0 0 0 0 28 45 1 1 0 0 0 29 31 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 35 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 32 35 1 0 0 0 0 32 73 1 0 0 0 0 33 38 1 0 0 0 0 34 74 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 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 41 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 44 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 6 0 0 0 41 47 1 0 0 0 0 42 90 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 96 1 0 0 0 0 44 97 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 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 50 1 0 0 0 0 49105 1 0 0 0 0 50 52 1 0 0 0 0 50107 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 1 0 0 0 51108 1 0 0 0 0 52109 1 0 0 0 0 53 55 1 0 0 0 0 53110 1 0 0 0 0 55 56 1 0 0 0 0 55113 1 0 0 0 0 56 58 1 0 0 0 0 56114 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 1 0 0 0 57115 1 0 0 0 0 58117 1 0 0 0 0 M END $$$$ E0FW3H -OEChem-05082103152D 16 13 0 0 0 0 0 0 0999 V2000 6.0010 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 5.1350 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END $$$$ E0FY2S -OEChem-05082103082D 36 33 0 1 0 0 0 0 0999 V2000 9.4651 2.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 2.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 N 0 0 3 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 6.0010 1.1900 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 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 21 2 0 0 0 0 10 22 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 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 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 25 1 0 0 0 0 14 26 1 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 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M CHG 4 1 1 2 1 7 -1 8 -1 M END $$$$ E0G0VL -OEChem-05082103122D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0G1YW -OEChem-05082103132D 6 4 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0G2XR -OEChem-05082103082D 173172 0 0 0 0 0 0 0999 V2000 20.1865 7.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.7500 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 14.1244 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.7500 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 8.0622 7.2500 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 26.2487 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.2500 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 7.1962 6.7500 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 25.3827 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 6.7500 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 11.5263 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 7.2500 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 10.6603 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 2.1423 0.0000 H 0 0 0 0 0 0 0 0 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58 61 1 0 0 0 0 58158 1 0 0 0 0 58159 1 0 0 0 0 59 62 1 0 0 0 0 59160 1 0 0 0 0 59161 1 0 0 0 0 60 63 1 0 0 0 0 60162 1 0 0 0 0 60163 1 0 0 0 0 61 64 1 0 0 0 0 61164 1 0 0 0 0 61165 1 0 0 0 0 62 65 1 0 0 0 0 62166 1 0 0 0 0 62167 1 0 0 0 0 63 66 1 0 0 0 0 63168 1 0 0 0 0 63169 1 0 0 0 0 64 67 1 0 0 0 0 64170 1 0 0 0 0 64171 1 0 0 0 0 65 68 1 0 0 0 0 65172 1 0 0 0 0 65173 1 0 0 0 0 66174 1 0 0 0 0 66175 1 0 0 0 0 66176 1 0 0 0 0 67177 1 0 0 0 0 67178 1 0 0 0 0 67179 1 0 0 0 0 68180 1 0 0 0 0 68181 1 0 0 0 0 68182 1 0 0 0 0 M END $$$$ E0G6FR -OEChem-05082103132D 65 64 0 0 0 0 0 0 0999 V2000 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 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 14.6613 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 13.7953 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.2500 0.0000 C 0 0 0 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 17.2594 -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 18.1254 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 18.9914 -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 19.8574 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 20.7235 -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 21.5895 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 6.0010 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 3.4030 -0.2500 0.0000 C 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 15.1288 -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 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 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 9.0666 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -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 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8995 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2795 0.7869 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 7.2656 -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 5.6025 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 3.8705 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 3.8015 -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 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 65 1 0 0 0 0 4 5 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 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 7 31 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 12 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 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 16 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 19 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 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 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 23 1 0 0 0 0 22 61 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 M END $$$$ E0G6HN -OEChem-05082103142D 79 78 0 1 0 0 0 0 0999 V2000 21.0526 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.4050 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 14.1244 0.0950 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 14.9904 -0.4050 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 15.8564 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 16.7224 -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 17.5885 0.0950 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 18.4545 -0.4050 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 19.3205 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 20.1865 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.6506 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 0.5699 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 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 0.5699 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 21.5201 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2477 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 -0.2150 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 26 2 0 0 0 0 3 28 1 0 0 0 0 3 78 1 0 0 0 0 4 29 1 0 0 0 0 4 79 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 25 1 0 0 0 0 23 66 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 24 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 M END $$$$ E0G7WT -OEChem-05082103122D 83 82 0 1 0 0 0 0 0999 V2000 14.9904 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 6.3301 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 19.3205 -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 5.4641 -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 18.4545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -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 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -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 3.7320 -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 16.7224 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 2.8660 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 25.3827 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 15.8564 -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 14.1244 -0.2500 0.0000 C 0 0 3 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 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 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 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 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 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 8.4607 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 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 22.3861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -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 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 17.1899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -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 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 10.1928 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 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 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 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 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 25.6927 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0727 0.7869 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 14.1244 0.3700 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 13.5044 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 29 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 10 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 11 1 0 0 0 0 7 38 1 0 0 0 0 7 39 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 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 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 16 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 17 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 18 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 19 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 20 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 21 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 22 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 23 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 24 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 27 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 25 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 28 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 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 M END $$$$ E0G8XK -OEChem-05272104372D 16 16 0 0 0 0 0 0 0999 V2000 2.0000 0.4400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0G9PF -OEChem-05082103112D 26 27 0 1 0 0 0 0 0999 V2000 5.1844 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 1.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 0.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2382 -0.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1844 0.8080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2872 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7680 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4736 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 1.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 -1.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 0.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 0.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 2.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -1.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 7 3 1 1 0 0 0 3 11 1 0 0 0 0 8 4 1 6 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 0 0 0 0 6 14 1 1 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0GG0Q -OEChem-04012200532D 121120 0 0 0 0 0 0 0999 V2000 28.5177 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 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 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 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 35.4459 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7139 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6421 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5081 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3741 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 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 -0.2500 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 16.3933 0.2500 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 13.7953 -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 11.1972 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 8.5991 -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 6.0010 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 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8444 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0474 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9134 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7105 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1813 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9784 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5765 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7794 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1124 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3153 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6454 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4425 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4493 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2464 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3085 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5115 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3803 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5833 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3775 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1746 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7172 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5143 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.0406 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.2435 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6483 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8512 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.1096 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.9066 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9852 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7823 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.6841 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.9110 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.0641 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2531 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0502 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1842 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3871 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4521 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6551 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7890 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 0.7249 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 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 9.0666 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 8.9976 -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 7.2656 -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 5.6025 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 3.8705 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 3.8015 -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 1 26 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11121 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 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 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 20 1 0 0 0 0 18 60 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 19 63 1 0 0 0 0 20 22 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 23 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 24 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 70 1 0 0 0 0 23 71 1 0 0 0 0 24 26 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 27 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 29 1 0 0 0 0 28 81 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 30 31 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 31 87 1 0 0 0 0 31 88 1 0 0 0 0 32 33 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 93 1 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 37 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38 39 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 40 41 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 42 43 1 0 0 0 0 42109 1 0 0 0 0 42110 1 0 0 0 0 43111 1 0 0 0 0 43112 1 0 0 0 0 44 45 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 46 47 1 0 0 0 0 46117 1 0 0 0 0 46118 1 0 0 0 0 47119 1 0 0 0 0 47120 1 0 0 0 0 M END $$$$ E0GM2D -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.0000 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E0GT5A -OEChem-05082103092D 18 18 0 0 0 0 0 0 0999 V2000 4.5981 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0GY0V -OEChem-05082103162D 41 41 0 0 0 0 0 0 0999 V2000 3.7320 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -2.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0950 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 7.1962 1.5950 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 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 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 4.5981 -1.9050 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 5.4641 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.1297 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 -2.9050 0.0000 C 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 6.3301 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 2.9279 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 5.4641 -5.0250 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 4.0611 4.4050 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 7 2 0 0 0 0 1 17 1 0 0 0 0 4 18 1 0 0 0 0 8 29 1 0 0 0 0 8 41 1 0 0 0 0 9 29 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 30 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 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0H0HB -OEChem-05082103102D 1 0 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 M END $$$$ E0H0KW -OEChem-05082103042D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END $$$$ E0H0OT -OEChem-05082103072D 13 12 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0H2RX -OEChem-05082103102D 67 66 0 1 0 0 0 0 0999 V2000 17.5885 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 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 10.6603 0.0950 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 11.5263 -0.4050 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 12.3923 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 13.2583 -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 14.1244 0.0950 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 14.9904 -0.4050 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 15.8564 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 16.7224 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.1865 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 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 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.5699 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 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 66 1 0 0 0 0 4 25 1 0 0 0 0 4 67 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 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 7 31 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 12 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 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 16 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 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 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 M END $$$$ E0H2SC -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 2.5369 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0H4PD -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0H6BT -OEChem-05082103102D 40 41 0 0 0 0 0 0 0999 V2000 4.5981 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2475 0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -2.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5000 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 2.0000 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7018 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 -1.7262 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 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0208 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 6.3580 1.5347 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 10.7018 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 -2.5942 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 11.1984 -1.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6951 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 0.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0138 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8184 -1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -3.1361 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 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 26 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 13 15 2 0 0 0 0 13 20 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 32 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 23 2 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 33 1 0 0 0 0 23 29 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 36 1 0 0 0 0 28 31 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E0HK3J -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0HL7X -OEChem-05082103102D 5 4 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END $$$$ E0HP7B -OEChem-05082103092D 47 46 0 0 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 N 0 3 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 5.4641 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 4.5981 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 3.7320 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 9.7942 -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 11.5263 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 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 13.2583 -0.0000 0.0000 C 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 6.7287 -0.4749 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 5.0656 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 4.1996 -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 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 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 9.3267 0.9749 0.0000 H 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 9.3957 -0.4749 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 11.0588 0.9749 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 11.1278 -0.4749 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 2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 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 11.9938 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 12 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 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 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 16 47 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0HY7L -OEChem-05082103082D 68 66 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.3660 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 7.4651 7.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.2130 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 8.3312 6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 5.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 5.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 5.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 5.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 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 7 2 0 0 0 0 1 8 2 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 65 1 0 0 0 0 4 26 1 0 0 0 0 4 66 1 0 0 0 0 5 27 1 0 0 0 0 5 67 1 0 0 0 0 6 68 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 11 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 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 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 18 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 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 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 1 0 0 0 0 22 53 1 0 0 0 0 22 54 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 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 M END $$$$ E0I1VX -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0I3RQ -OEChem-05082103062D 17 16 0 1 0 0 0 0 0999 V2000 6.0010 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 6 4 1 6 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0I4EJ -OEChem-05082103132D 47 49 0 1 0 0 0 0 0999 V2000 3.7981 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -4.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -1.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5301 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7981 1.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6641 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1407 -0.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 0.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 1.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 2.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 3.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 1.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 37 1 0 0 0 0 13 2 1 1 0 0 0 2 38 1 0 0 0 0 14 3 1 6 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 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 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 14 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 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 17 22 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 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 26 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 M END $$$$ E0I4VY -OEChem-05082103142D 167166 0 0 0 0 0 0 0999 V2000 16.7224 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 2.0600 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 12.3923 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.5600 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 7.1962 -7.4400 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 8.0622 -6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.0600 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 6.3301 -6.9400 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 8.9282 -7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 2.0600 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 11.5263 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.4400 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 9.7942 -6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.9400 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 11.5263 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7687 8.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3702 7.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -7.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1568 7.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5368 8.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -6.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -7.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 1 58 1 0 0 0 0 2 56 1 0 0 0 0 2 59 1 0 0 0 0 3 57 1 0 0 0 0 3 60 1 0 0 0 0 4 58 2 0 0 0 0 5 59 2 0 0 0 0 6 60 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 64 1 0 0 0 0 7 65 1 0 0 0 0 8 16 1 0 0 0 0 8 66 1 0 0 0 0 8 67 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 70 1 0 0 0 0 10 71 1 0 0 0 0 11 31 1 0 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 23 1 0 0 0 0 12 74 1 0 0 0 0 12 75 1 0 0 0 0 13 24 1 0 0 0 0 13 76 1 0 0 0 0 13 77 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 78 1 0 0 0 0 14 79 1 0 0 0 0 15 26 1 0 0 0 0 15 80 1 0 0 0 0 15 81 1 0 0 0 0 16 34 1 0 0 0 0 16 82 1 0 0 0 0 16 83 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 17 84 1 0 0 0 0 17 85 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 18 86 1 0 0 0 0 18 87 1 0 0 0 0 19 29 1 0 0 0 0 19 88 1 0 0 0 0 19 89 1 0 0 0 0 20 30 1 0 0 0 0 20 90 1 0 0 0 0 20 91 1 0 0 0 0 21 32 1 0 0 0 0 21 92 1 0 0 0 0 21 93 1 0 0 0 0 22 33 1 0 0 0 0 22 94 1 0 0 0 0 22 95 1 0 0 0 0 23 35 1 0 0 0 0 23 96 1 0 0 0 0 23 97 1 0 0 0 0 24 36 1 0 0 0 0 24 98 1 0 0 0 0 24 99 1 0 0 0 0 25 37 1 0 0 0 0 25100 1 0 0 0 0 25101 1 0 0 0 0 26 38 1 0 0 0 0 26102 1 0 0 0 0 26103 1 0 0 0 0 27 39 1 0 0 0 0 27104 1 0 0 0 0 27105 1 0 0 0 0 28 40 1 0 0 0 0 28106 1 0 0 0 0 28107 1 0 0 0 0 29 41 1 0 0 0 0 29108 1 0 0 0 0 29109 1 0 0 0 0 30 42 1 0 0 0 0 30110 1 0 0 0 0 30111 1 0 0 0 0 31 43 1 0 0 0 0 31112 1 0 0 0 0 31113 1 0 0 0 0 32 44 1 0 0 0 0 32114 1 0 0 0 0 32115 1 0 0 0 0 33 45 1 0 0 0 0 33116 1 0 0 0 0 33117 1 0 0 0 0 34 46 1 0 0 0 0 34118 1 0 0 0 0 34119 1 0 0 0 0 35 51 1 0 0 0 0 35120 1 0 0 0 0 35121 1 0 0 0 0 36 52 1 0 0 0 0 36122 1 0 0 0 0 36123 1 0 0 0 0 37 47 1 0 0 0 0 37124 1 0 0 0 0 37125 1 0 0 0 0 38 48 1 0 0 0 0 38126 1 0 0 0 0 38127 1 0 0 0 0 39 49 1 0 0 0 0 39128 1 0 0 0 0 39129 1 0 0 0 0 40 50 1 0 0 0 0 40130 1 0 0 0 0 40131 1 0 0 0 0 41 53 1 0 0 0 0 41132 1 0 0 0 0 41133 1 0 0 0 0 42 54 1 0 0 0 0 42134 1 0 0 0 0 42135 1 0 0 0 0 43 58 1 0 0 0 0 43136 1 0 0 0 0 43137 1 0 0 0 0 44 59 1 0 0 0 0 44138 1 0 0 0 0 44139 1 0 0 0 0 45 60 1 0 0 0 0 45140 1 0 0 0 0 45141 1 0 0 0 0 46 47 2 0 0 0 0 46142 1 0 0 0 0 47143 1 0 0 0 0 48 61 1 0 0 0 0 48144 1 0 0 0 0 48145 1 0 0 0 0 49 62 1 0 0 0 0 49146 1 0 0 0 0 49147 1 0 0 0 0 50 63 1 0 0 0 0 50148 1 0 0 0 0 50149 1 0 0 0 0 51 53 2 0 0 0 0 51150 1 0 0 0 0 52 54 2 0 0 0 0 52151 1 0 0 0 0 53152 1 0 0 0 0 54153 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55154 1 0 0 0 0 56155 1 0 0 0 0 56156 1 0 0 0 0 57157 1 0 0 0 0 57158 1 0 0 0 0 61159 1 0 0 0 0 61160 1 0 0 0 0 61161 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 M END $$$$ E0I5TO -OEChem-05082103112D 20 20 0 0 0 0 0 0 0999 V2000 2.8660 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0I5ZK -OEChem-05082103112D 38 39 0 0 0 0 0 0 0999 V2000 2.0000 0.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 N 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 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9050 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 3.7320 0.5950 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 5.4641 -1.4050 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 2.8660 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4050 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 2.8660 -0.9050 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 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.4419 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 4.2690 2.9050 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 1 17 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 16 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 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 16 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 25 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$ E0I6EI -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0I6YD -OEChem-05082103122D 65 64 0 0 0 0 0 0 0999 V2000 16.7224 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 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 -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 6.3301 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 5.4641 -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 4.5981 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 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 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 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 14.9904 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 17.5885 -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 17.5885 -1.2500 0.0000 C 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 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 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 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 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 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 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 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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.7249 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 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 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 3.4860 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 2.2460 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 -1.2500 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 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 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 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 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 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 15 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 18 1 0 0 0 0 14 46 1 0 0 0 0 15 16 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 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 M END $$$$ E0I8GZ -OEChem-05082103142D 98 99 0 1 0 0 0 0 0999 V2000 5.8671 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 -0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.3055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 1.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6070 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5123 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9497 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9007 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6439 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3381 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2891 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0323 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9833 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7265 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6775 2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4207 3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3717 2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1149 3.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0659 3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8091 3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5465 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 1.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9154 0.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 0.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2407 1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4611 1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6097 0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3893 0.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1553 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3039 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0835 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6291 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8495 2.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9981 1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7777 1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3233 3.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5437 2.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6923 1.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4719 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0175 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2379 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1661 2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9321 3.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0807 2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8603 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4059 4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6263 3.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7749 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5545 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2239 3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2698 4.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3942 4.4163 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 13 2 1 6 0 0 0 17 2 1 6 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 14 4 1 6 0 0 0 4 55 1 0 0 0 0 15 5 1 1 0 0 0 5 56 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 18 7 1 6 0 0 0 7 59 1 0 0 0 0 20 8 1 1 0 0 0 8 60 1 0 0 0 0 21 9 1 6 0 0 0 9 61 1 0 0 0 0 10 23 1 0 0 0 0 10 62 1 0 0 0 0 11 24 1 0 0 0 0 11 65 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 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 16 23 1 6 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 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 22 24 1 1 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 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 26 27 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 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 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 34 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 35 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 37 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 38 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 39 1 0 0 0 0 38 88 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 41 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 42 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 M END $$$$ E0I9BA -OEChem-05082103112D 6 4 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 3 3 -1 4 -1 5 -1 M END $$$$ E0I9JZ -OEChem-05082103062D 39 40 0 0 0 0 0 0 0999 V2000 4.6815 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.9362 5.2019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 5.2261 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4061 5.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 3.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 3.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 3.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 4.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 6.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 4.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 6.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 5.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 5.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 3.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 3.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8724 4.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6422 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 6.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 6.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 6.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 6.2285 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 3 10 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 8 2 0 0 0 0 5 9 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 13 1 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 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 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 18 29 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 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 M CHG 2 1 -1 3 1 M END $$$$ E0IB8Z -OEChem-05082103112D 85 86 0 1 0 0 0 0 0999 V2000 6.5985 0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9367 3.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 2.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3091 3.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -2.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 3.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5382 0.5886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1538 1.3766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5946 2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6334 1.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -2.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3262 -0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6831 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 2.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 4.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 1.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2100 2.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 1.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 -0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6173 0.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3061 2.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 3.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 1.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 2.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2185 4.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8480 5.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 5.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -4.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -3.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1345 -1.8332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4771 -1.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 2.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 2.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 1.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 2.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 2.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 20 2 1 6 0 0 0 24 2 1 6 0 0 0 3 24 1 0 0 0 0 3 28 1 0 0 0 0 21 4 1 6 0 0 0 4 32 1 0 0 0 0 22 5 1 1 0 0 0 5 33 1 0 0 0 0 25 6 1 6 0 0 0 6 34 1 0 0 0 0 26 7 1 1 0 0 0 7 35 1 0 0 0 0 27 8 1 6 0 0 0 8 36 1 0 0 0 0 9 29 1 0 0 0 0 9 37 1 0 0 0 0 10 30 1 0 0 0 0 10 40 1 0 0 0 0 11 31 1 0 0 0 0 11 43 1 0 0 0 0 12 32 2 0 0 0 0 13 33 2 0 0 0 0 14 34 2 0 0 0 0 15 35 2 0 0 0 0 16 36 2 0 0 0 0 17 37 2 0 0 0 0 18 40 2 0 0 0 0 19 43 2 0 0 0 0 20 21 1 0 0 0 0 20 29 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 30 1 6 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 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 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 28 31 1 1 0 0 0 28 55 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 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 62 1 0 0 0 0 38 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 40 46 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 47 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 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 46 81 1 0 0 0 0 46 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 M END $$$$ E0IC9H -OEChem-05082103092D 87 89 0 1 0 0 0 0 0999 V2000 5.6335 -3.4170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 4.1510 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 -1.7015 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -4.7438 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.9904 -2.2939 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4598 -4.4018 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6487 -3.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 -2.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 5.0907 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 4.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 3.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 -2.4676 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.1288 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 -2.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 0.9132 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7656 -1.4564 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8263 -2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 -2.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 -3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 2.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7352 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -5.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4192 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 3.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 0.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 0.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 -0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -2.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8069 -1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 0.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9454 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 -3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 -0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8373 -3.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -0.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -3.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 1.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4837 -2.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 -3.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 2.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 -1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 1.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -4.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -4.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -5.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 1.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 3.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6726 0.1119 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 37 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 46 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 47 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 36 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 37 1 0 0 0 0 24 38 2 0 0 0 0 25 39 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 40 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 34 2 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 41 2 0 0 0 0 35 43 1 0 0 0 0 36 42 2 0 0 0 0 36 44 1 0 0 0 0 37 45 2 0 0 0 0 38 48 1 0 0 0 0 38 70 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 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 47 1 0 0 0 0 42 78 1 0 0 0 0 43 50 2 0 0 0 0 43 79 1 0 0 0 0 44 51 2 0 0 0 0 44 80 1 0 0 0 0 45 49 1 0 0 0 0 45 81 1 0 0 0 0 46 52 2 0 0 0 0 47 53 2 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 53 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 53 87 1 0 0 0 0 M CHG 6 4 1 5 1 6 -1 9 -1 12 -1 16 1 M END $$$$ E0IO1S -OEChem-05082103082D 21 18 0 0 0 0 0 0 0999 V2000 3.0981 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 7 -1 M END $$$$ E0IS1Z -OEChem-05082103052D 16 16 0 0 0 0 0 0 0999 V2000 2.0000 0.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0IV6X -OEChem-05082103082D 6 3 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0IX9P -OEChem-05082103082D 29 29 0 0 0 0 0 0 0999 V2000 3.0680 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M END $$$$ E0IZ4S -OEChem-05082103152D 8 5 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 3.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0J0IH -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0J0LX -OEChem-05082103112D 40 40 0 0 0 0 0 0 0999 V2000 2.8660 0.4330 0.0000 O 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 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0670 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 5.4641 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5670 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 5.5981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5670 0.0000 C 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 4.5981 -2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 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 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 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 6 1 0 0 0 0 5 8 2 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 15 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 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 15 16 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 END $$$$ E0J4HK -OEChem-05082103092D 83 86 0 1 0 0 0 0 0999 V2000 9.7942 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 8.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7942 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9641 -7.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -5.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 N 0 3 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 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 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 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 8.9282 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 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 6.3301 3.0000 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 5.4641 -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 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 5.4641 -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 3.7320 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 6.3301 -3.0000 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 4.5981 -5.0000 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 2.8660 -5.0000 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 4.5981 -6.0000 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 1.0000 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 2.8660 -6.0000 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 3.7320 -6.5000 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 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 7.8501 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 3.8923 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 9.5388 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.0826 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 5.8626 -3.9750 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 7.7331 1.1900 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 3.1951 -1.8100 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 6.3301 0.3800 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 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.4631 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 5.1350 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6900 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 0.3800 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 2.3291 -6.3100 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 3.7320 -7.1200 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 1.4631 2.8100 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 38 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 39 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 15 26 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 27 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 33 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 34 2 0 0 0 0 21 36 1 0 0 0 0 22 35 2 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 58 1 0 0 0 0 25 29 2 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 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 40 2 0 0 0 0 31 41 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 34 38 1 0 0 0 0 34 71 1 0 0 0 0 35 39 1 0 0 0 0 35 72 1 0 0 0 0 36 42 2 0 0 0 0 36 73 1 0 0 0 0 37 43 2 0 0 0 0 37 74 1 0 0 0 0 38 44 2 0 0 0 0 39 45 2 0 0 0 0 40 46 1 0 0 0 0 40 75 1 0 0 0 0 41 47 2 0 0 0 0 41 76 1 0 0 0 0 42 44 1 0 0 0 0 42 77 1 0 0 0 0 43 45 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 45 80 1 0 0 0 0 46 48 2 0 0 0 0 46 81 1 0 0 0 0 47 48 1 0 0 0 0 47 82 1 0 0 0 0 48 83 1 0 0 0 0 M CHG 4 3 1 4 -1 7 -1 11 1 M END $$$$ E0JA5E -OEChem-05082103082D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0JB3K -OEChem-05082103052D 15 14 0 0 0 0 0 0 0999 V2000 4.7690 -1.1830 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ E0JB7T -OEChem-05082103152D 74 72 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 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 8.9282 1.2500 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 6.3301 -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 5 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 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 14.9904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 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 14.1244 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 13.2583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 11.5263 -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 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 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 23.6506 -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 7.1962 0.2500 0.0000 C 0 0 3 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 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 3.7320 0.2500 0.0000 C 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 15.4579 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 17.1210 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 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 18.8530 -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 13.7258 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 18.9220 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 13.6569 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 20.6540 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 11.9248 -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 22.3171 -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 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 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 10.1928 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3406 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9606 0.2869 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 7.8162 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.2500 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 3.9781 -1.2500 0.0000 H 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 5.2181 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 25 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 31 1 0 0 0 0 7 31 2 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 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 13 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 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 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 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 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 26 27 1 0 0 0 0 26 28 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 29 30 1 0 0 0 0 29 31 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 30 74 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ E0JD3S -OEChem-05082103142D 96 97 0 0 0 0 0 0 0999 V2000 10.7942 7.7500 0.0000 C 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 10.7942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.7500 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 9.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.8840 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 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.2500 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 13.3923 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 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 11.6603 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 4.2500 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 9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.7500 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 9.9282 1.2500 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 8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0588 9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 7.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9842 6.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 6.5740 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 3.0369 -6.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -7.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 6.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 7.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -7.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -6.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.5600 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 10.4651 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 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 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 43 1 0 0 0 0 4 44 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 10 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 2 0 0 0 0 17 65 1 0 0 0 0 18 22 2 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 75 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 26 80 1 0 0 0 0 27 29 1 0 0 0 0 27 81 1 0 0 0 0 28 30 1 0 0 0 0 28 82 1 0 0 0 0 29 31 2 0 0 0 0 29 83 1 0 0 0 0 30 32 2 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 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 39 40 2 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 M END $$$$ E0JP9O -OEChem-05082103042D 26 25 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 M END $$$$ E0JV1G -OEChem-05082103162D 20 20 0 1 0 0 0 0 0999 V2000 5.0298 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 1.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 6 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0JW9W -OEChem-05082103052D 29 30 0 0 0 0 0 0 0999 V2000 2.7369 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3441 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -0.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -0.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -2.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -2.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -1.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 1.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 2.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 2.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0JZ8Z -OEChem-05082103062D 11 10 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 M END $$$$ E0K0OU -OEChem-05082103072D 39 38 0 0 0 0 0 0 0999 V2000 5.9641 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2321 0.0000 C 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 3.9641 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2321 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 3.9641 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 -2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -0.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 2.4220 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 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 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 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 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 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 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 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 18 34 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 19 39 1 0 0 0 0 M END $$$$ E0K1RU -OEChem-05082103072D 59 58 0 0 0 0 0 0 0999 V2000 2.8660 0.7500 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 11.5263 0.7500 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 12.3923 0.2500 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 13.2583 0.7500 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 14.1244 0.2500 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 14.9904 0.7500 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 15.8564 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 16.7224 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 17.5885 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 18.4545 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 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 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 20 2 0 0 0 0 3 4 1 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 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 7 31 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 12 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 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 16 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 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 19 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 M END $$$$ E0K2KU -OEChem-05082103082D 24 25 0 1 0 0 0 0 0999 V2000 5.8958 -1.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.7320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$ E0K5HA -OEChem-05272104372D 31 29 0 0 0 0 0 0 0999 V2000 4.0010 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 5.3059 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 5.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 4.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 5 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 M END $$$$ E0K5VH -OEChem-05082103122D 104103 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 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 22.7846 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.7500 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 25.3827 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 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 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 9.7942 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 10.6603 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 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 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 5.4641 0.7500 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 28.8468 0.2500 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 4.5981 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 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 14.1244 0.7500 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 30.5788 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 0.7500 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 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7549 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1349 1.2869 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 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 34 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 12 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 13 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 15 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 18 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 19 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 17 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 22 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 23 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 24 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 25 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 27 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 28 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 26 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 30 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 31 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 32 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 34 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 35 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 36 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 M END $$$$ E0K7ZB -OEChem-05082103052D 6 5 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ E0K9AR -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0KF3M -OEChem-05082103142D 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 $$$$ E0KM8B -OEChem-05082103142D 33 30 0 0 0 0 0 0 0999 V2000 3.4399 6.5749 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 5.2089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 4.8429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.7690 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.4030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.0369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 6.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 5.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 7.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 5.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 4.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 5.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 7.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 7.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 6.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 6.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 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 5 13 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 11 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 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 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 14 18 1 0 0 0 0 14 19 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 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 17 29 1 0 0 0 0 M END $$$$ E0KP0P -OEChem-05082103072D 25 25 0 0 0 0 0 0 0999 V2000 3.7320 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E0KP1P -OEChem-05082103062D 6 5 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ E0KR6X -OEChem-05082103122D 20 20 0 1 0 0 0 0 0999 V2000 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0KU0Y -OEChem-05082103062D 63 61 0 0 0 0 0 0 0999 V2000 7.6482 0.0000 0.0000 Br 0 5 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 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 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 6.5991 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.9030 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 9.1972 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 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 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 4.3996 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 4.8779 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 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 6.2006 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.4280 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 9.5957 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 3.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 4.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 11 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 22 1 0 0 0 0 3 23 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 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 8 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 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 41 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 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 16 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 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 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 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 21 63 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0KW7B -OEChem-05082103062D 33 32 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 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 9.4651 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 10.3312 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 11.1972 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 12.0632 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.1972 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3700 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 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 33 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 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 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 24 1 0 0 0 0 7 25 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 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 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ E0L0MR -OEChem-05082103092D 39 39 0 0 0 0 0 0 0999 V2000 7.7991 4.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 4.0867 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9441 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 4.5834 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3024 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4030 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 4.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 4.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3659 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 18 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 25 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 29 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E0L1TV -OEChem-05082103092D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 3 2 3 3 -2 4 -2 5 -2 M END $$$$ E0L2PN -OEChem-05082103092D 3 1 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0L2SK -OEChem-05082103112D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0L3MB -OEChem-05082103132D 38 39 0 0 0 0 0 0 0999 V2000 3.7320 0.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 0.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7199 0.5887 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.5887 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5870 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0887 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8539 1.0887 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4879 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4879 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.2161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4436 -1.2161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4436 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6588 -1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 1.8054 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 25 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 28 1 0 0 0 0 5 19 1 0 0 0 0 5 38 1 0 0 0 0 6 21 2 0 0 0 0 13 15 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 22 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 21 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 22 29 1 0 0 0 0 23 25 2 0 0 0 0 23 32 1 0 0 0 0 24 27 2 0 0 0 0 24 33 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E0L3OO -OEChem-05082103092D 48 47 0 1 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 11.5263 -1.2500 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 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 4.5981 -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 3.7320 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 2.8660 -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 2.0000 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 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 3 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 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 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 7.6636 -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 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 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 9.3267 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 4.1306 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 9.3957 -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 2.4675 -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 11.0588 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 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 12.8598 -0.7249 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 14.1244 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0600 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 15 2 0 0 0 0 3 17 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 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 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 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 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 14 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 18 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 M END $$$$ E0L5MU -OEChem-05082103052D 29 29 0 0 0 0 0 0 0999 V2000 2.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$ E0L7RZ -OEChem-05082103102D 12 10 0 0 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0L8YB -OEChem-05082103142D 14 9 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4768 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E0L9VB -OEChem-05082103082D 30 30 0 1 0 0 0 0 0999 V2000 3.7601 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5202 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 -0.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 -1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 0.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 0.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9233 -0.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 -0.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4689 0.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6175 -0.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 -0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 0.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 1.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 M END $$$$ E0LA1W -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 M END $$$$ E0LC5O -OEChem-05082103142D 31 32 0 0 0 0 0 0 0999 V2000 6.3626 5.8975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7011 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.6306 2.8975 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4668 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 2.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 4.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 3.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 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 3 13 1 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 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 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 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 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 26 1 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 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$ E0LC7X -OEChem-05082103102D 8 4 0 0 0 0 0 0 0999 V2000 3.7320 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0LI5P -OEChem-05082103102D 176175 0 1 0 0 0 0 0999 V2000 30.5788 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 7.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 6.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 -3.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.9808 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -6.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -7.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 8.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -8.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -7.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.0850 6.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4650 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 7.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -7.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -8.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 5.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1148 1 0 0 0 0 2 17 1 0 0 0 0 2149 1 0 0 0 0 3 18 1 0 0 0 0 3150 1 0 0 0 0 4 58 1 0 0 0 0 4 62 1 0 0 0 0 5 63 1 0 0 0 0 5 65 1 0 0 0 0 6 64 1 0 0 0 0 6 66 1 0 0 0 0 7 62 2 0 0 0 0 8 63 2 0 0 0 0 9 64 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 67 1 0 0 0 0 10 68 1 0 0 0 0 11 19 1 0 0 0 0 11 69 1 0 0 0 0 11 70 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 71 1 0 0 0 0 12 72 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 20 1 0 0 0 0 14 75 1 0 0 0 0 14 76 1 0 0 0 0 15 21 1 0 0 0 0 15 77 1 0 0 0 0 15 78 1 0 0 0 0 16 25 1 0 0 0 0 16 79 1 0 0 0 0 17 26 1 0 0 0 0 17 80 1 0 0 0 0 18 27 1 0 0 0 0 18 81 1 0 0 0 0 19 22 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 23 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 24 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 28 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 23 29 1 0 0 0 0 23 90 1 0 0 0 0 23 91 1 0 0 0 0 24 30 1 0 0 0 0 24 92 1 0 0 0 0 24 93 1 0 0 0 0 25 32 1 0 0 0 0 25 94 1 0 0 0 0 25 95 1 0 0 0 0 26 33 1 0 0 0 0 26 96 1 0 0 0 0 26 97 1 0 0 0 0 27 34 1 0 0 0 0 27 98 1 0 0 0 0 27 99 1 0 0 0 0 28 31 1 0 0 0 0 28100 1 0 0 0 0 28101 1 0 0 0 0 29 35 1 0 0 0 0 29102 1 0 0 0 0 29103 1 0 0 0 0 30 36 1 0 0 0 0 30104 1 0 0 0 0 30105 1 0 0 0 0 31 37 1 0 0 0 0 31106 1 0 0 0 0 31107 1 0 0 0 0 32 40 1 0 0 0 0 32108 1 0 0 0 0 32109 1 0 0 0 0 33 41 1 0 0 0 0 33114 1 0 0 0 0 33115 1 0 0 0 0 34 42 1 0 0 0 0 34116 1 0 0 0 0 34117 1 0 0 0 0 35 38 1 0 0 0 0 35110 1 0 0 0 0 35111 1 0 0 0 0 36 39 1 0 0 0 0 36112 1 0 0 0 0 36113 1 0 0 0 0 37 43 1 0 0 0 0 37118 1 0 0 0 0 37119 1 0 0 0 0 38 44 1 0 0 0 0 38120 1 0 0 0 0 38121 1 0 0 0 0 39 45 1 0 0 0 0 39122 1 0 0 0 0 39123 1 0 0 0 0 40 46 1 0 0 0 0 40124 1 0 0 0 0 40125 1 0 0 0 0 41 47 1 0 0 0 0 41126 1 0 0 0 0 41127 1 0 0 0 0 42 48 1 0 0 0 0 42128 1 0 0 0 0 42129 1 0 0 0 0 43 49 1 0 0 0 0 43130 1 0 0 0 0 43131 1 0 0 0 0 44 50 1 0 0 0 0 44132 1 0 0 0 0 44133 1 0 0 0 0 45 51 1 0 0 0 0 45134 1 0 0 0 0 45135 1 0 0 0 0 46 52 1 0 0 0 0 46136 1 0 0 0 0 46137 1 0 0 0 0 47 53 1 0 0 0 0 47138 1 0 0 0 0 47139 1 0 0 0 0 48 54 1 0 0 0 0 48140 1 0 0 0 0 48141 1 0 0 0 0 49 55 1 0 0 0 0 49142 1 0 0 0 0 49143 1 0 0 0 0 50 56 1 0 0 0 0 50144 1 0 0 0 0 50145 1 0 0 0 0 51 57 1 0 0 0 0 51146 1 0 0 0 0 51147 1 0 0 0 0 52 59 1 0 0 0 0 52151 1 0 0 0 0 52152 1 0 0 0 0 53 60 1 0 0 0 0 53153 1 0 0 0 0 53154 1 0 0 0 0 54 61 1 0 0 0 0 54155 1 0 0 0 0 54156 1 0 0 0 0 55 62 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 63 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 64 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 65 1 0 0 0 0 58 66 1 0 0 0 0 58163 1 0 0 0 0 59164 1 0 0 0 0 59165 1 0 0 0 0 59166 1 0 0 0 0 60167 1 0 0 0 0 60168 1 0 0 0 0 60169 1 0 0 0 0 61170 1 0 0 0 0 61171 1 0 0 0 0 61172 1 0 0 0 0 65173 1 0 0 0 0 65174 1 0 0 0 0 66175 1 0 0 0 0 66176 1 0 0 0 0 M END $$$$ E0LI6F -OEChem-05082103132D 7 5 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0LJ1H -OEChem-05082103062D 23 23 0 1 0 0 0 0 0999 V2000 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 5 3 1 1 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0LN0E -OEChem-05082103062D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0LQ1C -OEChem-05082103122D 45 45 0 0 0 0 0 0 0999 V2000 4.5981 -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 1.2500 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 6.3301 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 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 7.1962 -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 7.1962 -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 6.3301 -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 -1.2500 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 4.1996 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 5.8626 2.2250 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 4.1306 2.2250 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 6.9407 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.8326 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 5.7196 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7751 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 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 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 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 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 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 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 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 M END $$$$ E0LR5E -OEChem-05082103062D 19 18 0 0 0 0 0 0 0999 V2000 5.1350 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0LT2O -OEChem-05082103092D 81 82 0 1 0 0 0 0 0999 V2000 6.0290 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9350 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4383 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4450 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4516 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8383 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0334 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 6 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 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0 0 9.7942 4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 2.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -1.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -2.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -4.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3300 0.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1971 -7.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 9.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 0.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -4.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 2.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -3.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -6.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9254 0.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4381 -8.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 9.3491 0.0000 H 0 0 0 0 0 0 0 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1 0 0 0 0 40 70 1 0 0 0 0 41 56 1 0 0 0 0 41 62 1 0 0 0 0 41 71 1 0 0 0 0 42 57 2 0 0 0 0 42 63 1 0 0 0 0 42 72 1 0 0 0 0 43 58 2 0 0 0 0 43 64 1 0 0 0 0 43 73 1 0 0 0 0 44 59 2 0 0 0 0 44 65 1 0 0 0 0 44 74 1 0 0 0 0 45 48 1 0 0 0 0 45 51 2 0 0 0 0 45 66 1 0 0 0 0 46 49 1 0 0 0 0 46 52 2 0 0 0 0 46 67 1 0 0 0 0 47 50 1 0 0 0 0 47 53 2 0 0 0 0 47 68 1 0 0 0 0 48 75 2 0 0 0 0 48 78 1 0 0 0 0 49 76 2 0 0 0 0 49 79 1 0 0 0 0 50 77 2 0 0 0 0 50 80 1 0 0 0 0 51 81 1 0 0 0 0 51 82 1 0 0 0 0 52 83 1 0 0 0 0 52 84 1 0 0 0 0 53 85 1 0 0 0 0 53 86 1 0 0 0 0 54 87 2 0 0 0 0 54 90 1 0 0 0 0 55 88 2 0 0 0 0 55 91 1 0 0 0 0 56 89 2 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 57 94 1 0 0 0 0 58 95 1 0 0 0 0 58 96 1 0 0 0 0 59 97 1 0 0 0 0 59 98 1 0 0 0 0 60 99 1 0 0 0 0 60156 1 0 0 0 0 60157 1 0 0 0 0 61100 1 0 0 0 0 61158 1 0 0 0 0 61159 1 0 0 0 0 62101 1 0 0 0 0 62160 1 0 0 0 0 62161 1 0 0 0 0 63102 1 0 0 0 0 63162 1 0 0 0 0 63163 1 0 0 0 0 64103 1 0 0 0 0 64164 1 0 0 0 0 64165 1 0 0 0 0 65104 1 0 0 0 0 65166 1 0 0 0 0 65167 1 0 0 0 0 66105 1 0 0 0 0 66108 2 0 0 0 0 67106 1 0 0 0 0 67109 2 0 0 0 0 68107 1 0 0 0 0 68110 2 0 0 0 0 69111 1 0 0 0 0 69168 1 0 0 0 0 69169 1 0 0 0 0 70112 1 0 0 0 0 70170 1 0 0 0 0 70171 1 0 0 0 0 71113 1 0 0 0 0 71172 1 0 0 0 0 71173 1 0 0 0 0 72114 1 0 0 0 0 72174 1 0 0 0 0 72175 1 0 0 0 0 73115 1 0 0 0 0 73176 1 0 0 0 0 73177 1 0 0 0 0 74116 1 0 0 0 0 74178 1 0 0 0 0 74179 1 0 0 0 0 75 87 1 0 0 0 0 75180 1 0 0 0 0 76 88 1 0 0 0 0 76181 1 0 0 0 0 77 89 1 0 0 0 0 77182 1 0 0 0 0 78 90 2 0 0 0 0 78183 1 0 0 0 0 79 91 2 0 0 0 0 79184 1 0 0 0 0 80 92 2 0 0 0 0 80185 1 0 0 0 0 81 93 2 0 0 0 0 81186 1 0 0 0 0 82 94 2 0 0 0 0 82187 1 0 0 0 0 83 95 2 0 0 0 0 83188 1 0 0 0 0 84 96 2 0 0 0 0 84189 1 0 0 0 0 85 97 2 0 0 0 0 85190 1 0 0 0 0 86 98 2 0 0 0 0 86191 1 0 0 0 0 87192 1 0 0 0 0 88193 1 0 0 0 0 89194 1 0 0 0 0 90195 1 0 0 0 0 91196 1 0 0 0 0 92197 1 0 0 0 0 93198 1 0 0 0 0 94199 1 0 0 0 0 95200 1 0 0 0 0 96201 1 0 0 0 0 97202 1 0 0 0 0 98203 1 0 0 0 0 99117 2 0 0 0 0 99126 1 0 0 0 0 100118 2 0 0 0 0 100127 1 0 0 0 0 101119 2 0 0 0 0 101128 1 0 0 0 0 102120 2 0 0 0 0 102129 1 0 0 0 0 103121 2 0 0 0 0 103130 1 0 0 0 0 104122 2 0 0 0 0 104131 1 0 0 0 0 105123 2 0 0 0 0 106124 2 0 0 0 0 107125 2 0 0 0 0 108132 1 0 0 0 0 108204 1 0 0 0 0 109133 1 0 0 0 0 109205 1 0 0 0 0 110134 1 0 0 0 0 110206 1 0 0 0 0 111207 1 0 0 0 0 111208 1 0 0 0 0 111209 1 0 0 0 0 112210 1 0 0 0 0 112211 1 0 0 0 0 112212 1 0 0 0 0 113213 1 0 0 0 0 113214 1 0 0 0 0 113215 1 0 0 0 0 114216 1 0 0 0 0 114217 1 0 0 0 0 114218 1 0 0 0 0 115219 1 0 0 0 0 115220 1 0 0 0 0 115221 1 0 0 0 0 116222 1 0 0 0 0 116223 1 0 0 0 0 116224 1 0 0 0 0 117135 1 0 0 0 0 117225 1 0 0 0 0 118136 1 0 0 0 0 118226 1 0 0 0 0 119137 1 0 0 0 0 119227 1 0 0 0 0 120138 1 0 0 0 0 120228 1 0 0 0 0 121139 1 0 0 0 0 121229 1 0 0 0 0 122140 1 0 0 0 0 122230 1 0 0 0 0 123141 1 0 0 0 0 123231 1 0 0 0 0 124142 1 0 0 0 0 124232 1 0 0 0 0 125143 1 0 0 0 0 125233 1 0 0 0 0 126144 2 0 0 0 0 126234 1 0 0 0 0 127145 2 0 0 0 0 127235 1 0 0 0 0 128146 2 0 0 0 0 128236 1 0 0 0 0 129147 2 0 0 0 0 129237 1 0 0 0 0 130148 2 0 0 0 0 130238 1 0 0 0 0 131149 2 0 0 0 0 131239 1 0 0 0 0 132141 2 0 0 0 0 132240 1 0 0 0 0 133142 2 0 0 0 0 133241 1 0 0 0 0 134143 2 0 0 0 0 134242 1 0 0 0 0 135150 2 0 0 0 0 136151 2 0 0 0 0 137152 2 0 0 0 0 138153 2 0 0 0 0 139154 2 0 0 0 0 140155 2 0 0 0 0 141243 1 0 0 0 0 142244 1 0 0 0 0 143245 1 0 0 0 0 144150 1 0 0 0 0 144246 1 0 0 0 0 145151 1 0 0 0 0 145247 1 0 0 0 0 146152 1 0 0 0 0 146248 1 0 0 0 0 147153 1 0 0 0 0 147249 1 0 0 0 0 148154 1 0 0 0 0 148250 1 0 0 0 0 149155 1 0 0 0 0 149251 1 0 0 0 0 150252 1 0 0 0 0 151253 1 0 0 0 0 152254 1 0 0 0 0 153255 1 0 0 0 0 154256 1 0 0 0 0 155257 1 0 0 0 0 M CHG 8 10 3 11 3 12 -1 13 -1 14 -1 21 -1 22 -1 23 -1 M CHG 6 30 -1 31 -1 32 -1 42 1 43 1 44 1 M END $$$$ E0M0IE -OEChem-05082103152D 7 3 0 0 0 0 0 0 0999 V2000 1.4030 0.0000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 1.1345 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 0.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 1.6714 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M CHG 3 1 3 3 -1 4 -2 M END $$$$ E0M1JK -OEChem-05082103052D 13 12 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E0M1QY -OEChem-05082103052D 24 25 0 0 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0M2LZ -OEChem-05082103062D 16 15 0 1 0 0 0 0 0999 V2000 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 6 5 1 1 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0M3BD -OEChem-05082103112D 6 4 0 0 0 0 0 0 0999 V2000 0.2869 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 3.0369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0739 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0M5SQ -OEChem-05082103062D 21 17 0 0 0 0 0 0 0999 V2000 2.0000 -1.7990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0981 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E0M7DO -OEChem-05082103112D 47 47 0 1 0 0 0 0 0999 V2000 5.5696 -3.9991 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 4.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 3.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -2.2920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.3470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.2789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -3.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -4.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -3.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4483 -0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.0200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5176 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 3.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 -2.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -3.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 -2.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -2.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 -1.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -1.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -1.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9496 -4.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -5.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -4.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -3.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 -3.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -4.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 -2.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -0.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 1.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 2.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 2.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 1.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 4.9991 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 16 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 47 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 17 7 1 1 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 20 8 1 6 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 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 15 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 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 17 1 0 0 0 0 17 18 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 20 21 1 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 21 44 1 0 0 0 0 M END $$$$ E0M9RK -OEChem-05082103152D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 2.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0MC8B -OEChem-05082103122D 32 30 0 1 0 0 0 0 0999 V2000 4.0747 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6106 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9028 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 8.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 9.0000 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 12 2 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 14 2 0 0 0 0 10 5 1 6 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 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 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 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 11 22 1 0 0 0 0 11 23 1 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 13 31 1 0 0 0 0 M END $$$$ E0ME2Y -OEChem-05082103072D 23 22 0 0 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E0MF5O -OEChem-05082103082D 15 14 0 0 0 0 0 0 0999 V2000 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0MG7O -OEChem-05082103122D 5 2 0 0 0 0 0 0 0999 V2000 3.4030 -0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0MH5E -OEChem-05082103122D 38 39 0 1 0 0 0 0 0999 V2000 4.5981 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 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 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 O 0 5 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 4.5981 0.2500 0.0000 N 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 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 N 0 3 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 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 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 9.7942 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 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 8.9282 -1.2500 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 -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 9.7942 -1.7500 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 10.6603 -1.2500 0.0000 C 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 4.5981 0.8700 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 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 8.3913 -1.5600 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 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3700 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 1 17 1 0 0 0 0 2 26 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 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 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 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 24 2 0 0 0 0 20 33 1 0 0 0 0 21 26 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 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 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$ E0MU5Y -OEChem-05082103102D 33 33 0 0 0 0 0 0 0999 V2000 3.0000 -3.0000 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 3.0000 -4.0000 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 4.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 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 4.7320 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 4.7320 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 3.8660 2.5000 0.0000 C 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 4.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 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 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 6 8 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 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 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 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 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 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 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ E0MV7N -OEChem-05082103112D 44 28 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7320 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1090 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 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 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 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 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 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 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0MY1V -OEChem-05082103152D 16 15 0 0 0 0 0 0 0999 V2000 5.1350 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0N0NF -OEChem-05082103142D 3 0 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0N1TT -OEChem-05082103062D 36 35 0 0 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 2.8660 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 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 3.7320 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 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 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 6.3301 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 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 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 2.8660 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 7.1962 -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 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 5.0656 -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 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 7.8067 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.1423 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 2.3291 -3.0600 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 7.7331 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 11 1 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 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 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 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 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 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0N2PK -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E0N2RU -OEChem-05082103072D 25 25 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END $$$$ E0N3AB -OEChem-05082103152D 27 25 0 1 0 0 0 0 0999 V2000 7.1486 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 11 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 9 4 1 6 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$ E0N3XA -OEChem-05082103162D 16 14 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E0N6BJ -OEChem-05082103072D 30 30 0 0 0 0 0 0 0999 V2000 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ E0N7PI -OEChem-05082103152D 3 1 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0N9WU -OEChem-04012201012D 14 11 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0ND5Z -OEChem-05082103092D 3 1 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0NF3V -OEChem-05082103062D 14 13 0 1 0 0 0 0 0999 V2000 2.5369 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 5 4 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0NG2J -OEChem-05082103092D 31 31 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0NN1T -OEChem-05082103072D 62 61 0 0 0 0 0 0 0999 V2000 8.5622 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8282 1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -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 8.0622 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8660 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 6.5622 1.7320 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 6.0622 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5981 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 5.0622 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.4641 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 4.5622 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 1.1215 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 4.1306 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9545 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -3.1541 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 1.4631 -1.6760 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 5.0991 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 3.1541 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 12 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 22 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 29 1 0 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 15 16 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 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 20 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 24 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 23 27 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 28 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 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 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END $$$$ E0NN4I -OEChem-05082103112D 66 68 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 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 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 7.7331 -1.0000 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 2.5369 -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 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0000 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 7.7331 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 O 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 6.0010 -1.0000 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 1 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 1 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 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.5000 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 7.7331 4.0000 0.0000 C 0 0 2 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 6.0010 -4.0000 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 5.4641 -1.3100 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 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 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 3.4030 -1.8800 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 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1900 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 3.6584 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.4174 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 5.6025 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.5250 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 8.2700 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.3100 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 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6200 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 7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.8100 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 17 2 1 6 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 22 3 1 6 0 0 0 4 23 1 0 0 0 0 4 29 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 18 6 1 1 0 0 0 6 54 1 0 0 0 0 19 7 1 6 0 0 0 7 55 1 0 0 0 0 24 8 1 1 0 0 0 8 58 1 0 0 0 0 25 9 1 1 0 0 0 9 59 1 0 0 0 0 27 10 1 6 0 0 0 10 60 1 0 0 0 0 28 11 1 1 0 0 0 11 61 1 0 0 0 0 30 12 1 6 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 32 14 1 6 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 20 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 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 1 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 26 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 30 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 33 1 1 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 29 1 0 0 0 0 28 46 1 0 0 0 0 29 34 1 6 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$ E0NO1Z -OEChem-05082103042D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0NO4B -OEChem-05082103162D 127 12 0 0 0 0 0 0 0999 V2000 0.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 24.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 21.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 23.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 22.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 26.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 25.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 33.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 27.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 28.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 29.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 30.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 31.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 32.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 35.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 36.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 37.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 38.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 39.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 40.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 34.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 42.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 41.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 47.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 65.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 50.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 51.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 52.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 53.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 54.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 55.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 81.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 57.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 58.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 59.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 60.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 61.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 62.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 64.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 73.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 85.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 74.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 66.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 68.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 69.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 70.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 71.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 72.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 67.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 75.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 76.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 77.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 78.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 79.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 80.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 82.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 92.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 107.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 84.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 86.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 87.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 88.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 89.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 90.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 91.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 100.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 93.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 94.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 95.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 96.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 97.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 83.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 98.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 114.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 56.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 101.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 102.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 103.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 104.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 105.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 106.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 108.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 109.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 110.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 111.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 112.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 113.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 63.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 99.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 81.4583 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 91.0417 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3750 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9583 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5417 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2917 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 71.8750 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 100.6250 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 110.2080 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1250 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.7083 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 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 46120 1 0 0 0 0 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 48124 1 0 0 0 0 48125 1 0 0 0 0 49126 1 0 0 0 0 49127 1 0 0 0 0 M CHG 8 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 M CHG 8 9 4 10 4 11 4 12 4 13 4 14 4 15 4 16 4 M CHG 8 17 4 18 4 19 4 20 4 21 4 22 3 23 3 24 3 M CHG 8 25 3 26 2 27 2 28 2 29 2 30 2 31 2 32 2 M CHG 8 33 2 34 2 35 2 36 2 37 2 38 2 39 2 40 2 M CHG 8 41 2 42 2 43 2 50 -2 51 -2 52 -2 53 -2 54 -2 M CHG 8 55 -2 56 -2 57 -2 58 -2 59 -2 60 -2 61 -2 62 -2 M CHG 8 63 -2 64 -2 65 -2 66 -2 67 -2 68 -2 69 -2 70 -2 M CHG 8 71 -2 72 -2 73 -2 74 -2 75 -2 76 -2 77 -2 78 -2 M CHG 8 79 -2 80 -2 81 -2 82 -2 83 -2 84 -2 85 -2 86 -2 M CHG 8 87 -2 88 -2 89 -2 90 -2 91 -2 92 -2 93 -2 94 -2 M CHG 8 95 -2 96 -2 97 -2 98 -2 99 -2 100 -2 101 -2 102 -2 M CHG 8 103 -2 104 -2 105 -2 106 -2 107 -2 108 -2 109 -2 110 -2 M CHG 5 111 -2 112 -2 113 -2 114 -2 115 -2 M END $$$$ E0NV2K -OEChem-05082103052D 7 6 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0NV8K -OEChem-05082103152D 23 22 0 0 0 0 0 0 0999 V2000 3.7320 -0.7500 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$ E0NY1O -OEChem-05082103042D 16 16 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0NY5F -OEChem-05082103112D 27 21 0 0 0 0 0 0 0999 V2000 3.0739 0.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.1720 4.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.1720 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5380 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6720 3.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6720 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 6.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E0NZ2T -OEChem-05082103152D 8 7 0 0 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 Bi 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Bi 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 M END $$$$ E0NZ3E -OEChem-05082103122D 248256 0 1 0 0 0 0 0999 V2000 6.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3805 -1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4198 5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 2.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0407 2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5145 0.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 -3.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8805 -5.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6485 3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 -1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0097 -1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -3.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 -3.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 2.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 2.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4767 -2.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -2.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -3.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0470 -2.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 7.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3742 5.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 1.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1485 1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 -1.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8805 -3.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9203 -5.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8805 -7.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 9.9315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2498 7.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1485 -0.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -3.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -7.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -9.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 4.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9164 3.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4164 2.1295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 0.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -0.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8805 -2.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3805 -3.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 3.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9164 2.9955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7747 -0.7791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 0.7635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8738 -2.1307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -3.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8839 -3.8608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9164 4.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9164 1.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4130 5.6033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0407 3.2310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4231 2.1218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7824 0.7635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5145 -0.7724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6485 0.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6465 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3805 -1.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8805 -3.8705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3805 -3.0045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2465 -3.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8805 -5.6025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 2.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6485 1.2635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6465 -1.2825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -2.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3704 -3.0025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8772 -3.8608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9097 6.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8709 4.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1485 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 -1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3805 -3.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 -4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -6.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 8.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 6.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6485 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8805 -3.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -6.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 9.0674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2460 6.5772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6458 1.6418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6485 0.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6532 -2.4902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0542 -6.5873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8805 -9.0666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3997 9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1101 6.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1485 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8805 -5.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1881 -6.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8805 -9.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5364 4.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 2.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3182 -0.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5169 -0.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5005 -2.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -4.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 -5.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 3.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3194 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 2.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7735 -1.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 1.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0377 -1.5327 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1 0 0 0 0 106210 1 0 0 0 0 107115 1 0 0 0 0 107211 1 0 0 0 0 108116 1 0 0 0 0 108212 1 0 0 0 0 109117 1 0 0 0 0 109213 1 0 0 0 0 110118 1 0 0 0 0 110214 1 0 0 0 0 111119 1 0 0 0 0 111215 1 0 0 0 0 112120 1 0 0 0 0 112216 1 0 0 0 0 113217 1 0 0 0 0 113218 1 0 0 0 0 113219 1 0 0 0 0 114220 1 0 0 0 0 114221 1 0 0 0 0 114222 1 0 0 0 0 115223 1 0 0 0 0 115224 1 0 0 0 0 115225 1 0 0 0 0 116226 1 0 0 0 0 116227 1 0 0 0 0 116228 1 0 0 0 0 117229 1 0 0 0 0 117230 1 0 0 0 0 117231 1 0 0 0 0 118232 1 0 0 0 0 118233 1 0 0 0 0 118234 1 0 0 0 0 119235 1 0 0 0 0 119236 1 0 0 0 0 119237 1 0 0 0 0 120238 1 0 0 0 0 120239 1 0 0 0 0 120240 1 0 0 0 0 M END $$$$ E0O1IF -OEChem-05082103102D 11 8 0 0 0 0 0 0 0999 V2000 2.0000 -1.6160 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.1340 1.6160 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6160 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6340 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0000 1.1160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 M CHG 6 1 2 2 2 6 -1 7 -1 8 -1 9 -1 M END $$$$ E0O1YN -OEChem-05082103052D 16 16 0 0 0 0 0 0 0999 V2000 2.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0O5AE -OEChem-05082103162D 139139 0 1 0 0 0 0 0999 V2000 4.8671 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 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 1.4030 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 9.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2279 9.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 11.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 19.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 8.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3414 10.1367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8920 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9040 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7920 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6801 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7722 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6723 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0361 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 16.0083 0.0000 C 0 0 0 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 1 0 0 0 0 0 0 0 0 0 3.1350 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 2 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 4.8671 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 14.5147 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 4.5380 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 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 19.8783 10.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8044 10.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3414 9.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7649 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6910 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6514 11.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 11.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2492 19.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 19.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6514 8.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 8.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37 1 1 1 0 0 0 53 1 1 6 0 0 0 2 38 2 0 0 0 0 3 53 1 0 0 0 0 3 56 1 0 0 0 0 4 52 1 0 0 0 0 4111 1 0 0 0 0 5 52 2 0 0 0 0 54 6 1 6 0 0 0 58 6 1 1 0 0 0 55 7 1 1 0 0 0 7116 1 0 0 0 0 57 8 1 6 0 0 0 8117 1 0 0 0 0 9 58 1 0 0 0 0 9 62 1 0 0 0 0 10 59 1 0 0 0 0 10120 1 0 0 0 0 11 59 2 0 0 0 0 60 12 1 6 0 0 0 12123 1 0 0 0 0 61 13 1 1 0 0 0 13124 1 0 0 0 0 63 14 1 6 0 0 0 14125 1 0 0 0 0 15 64 1 0 0 0 0 15126 1 0 0 0 0 16 64 2 0 0 0 0 17130 1 0 0 0 0 17131 1 0 0 0 0 18132 1 0 0 0 0 18133 1 0 0 0 0 19134 1 0 0 0 0 19135 1 0 0 0 0 20136 1 0 0 0 0 20137 1 0 0 0 0 21138 1 0 0 0 0 21139 1 0 0 0 0 22127 1 0 0 0 0 22128 1 0 0 0 0 22129 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 23 39 1 1 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 24 41 1 1 0 0 0 25 38 1 0 0 0 0 25 65 1 6 0 0 0 26 31 1 0 0 0 0 26 34 1 0 0 0 0 26 42 1 6 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 66 1 6 0 0 0 28 30 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 37 1 0 0 0 0 29 47 1 0 0 0 0 29 48 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 43 2 0 0 0 0 32 33 1 0 0 0 0 32 44 1 0 0 0 0 32 71 1 1 0 0 0 33 36 1 0 0 0 0 33 45 1 0 0 0 0 33 50 1 1 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 40 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 37 40 1 0 0 0 0 37 78 1 0 0 0 0 38 43 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 90 1 0 0 0 0 44 46 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 49 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 6 0 0 0 46 52 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 53 54 1 0 0 0 0 53109 1 0 0 0 0 54 55 1 0 0 0 0 54110 1 0 0 0 0 55 57 1 0 0 0 0 55112 1 0 0 0 0 56 57 1 0 0 0 0 56 59 1 1 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 58 60 1 0 0 0 0 58115 1 0 0 0 0 60 61 1 0 0 0 0 60118 1 0 0 0 0 61 63 1 0 0 0 0 61119 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 1 0 0 0 62121 1 0 0 0 0 63122 1 0 0 0 0 M END $$$$ E0O5FX -OEChem-05082103062D 7 7 0 0 0 0 0 0 0999 V2000 2.5000 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0O7JW -OEChem-05082103112D 72 71 0 1 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 4.2690 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 4.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9400 0.0000 N 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 4.2690 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4400 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 6.0010 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4400 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 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 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 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 4.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 5.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 60 1 0 0 0 0 2 25 2 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 5 28 1 0 0 0 0 5 65 1 0 0 0 0 6 29 1 0 0 0 0 6 66 1 0 0 0 0 7 28 2 0 0 0 0 8 29 2 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 20 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 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 14 54 1 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 15 55 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 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 42 1 0 0 0 0 19 43 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 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 27 1 0 0 0 0 22 48 1 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 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 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 $$$$ E0OC0E -OEChem-05082103052D 27 28 0 1 0 0 0 0 0999 V2000 5.6137 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -0.7841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9735 0.1818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3420 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -1.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -0.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 2.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 1.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$ E0OC2E -OEChem-05082103072D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0OF1T -OEChem-05082103042D 15 14 0 1 0 0 0 0 0999 V2000 5.1350 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0OO9B -OEChem-05082103082D 24 24 0 0 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0OS5H -OEChem-05082103052D 11 10 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0OV4T -OEChem-05082103112D 101100 0 0 0 0 0 0 0999 V2000 13.2583 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.2500 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 9.7942 -1.7500 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 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.7500 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 9.7942 -0.7500 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 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.7500 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 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 4.2500 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 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.2500 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 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 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 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.7500 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 12.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2500 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 21.9186 4.2500 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 7.1962 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.7250 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 8.6728 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -4.7131 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 7.5062 -5.7869 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 32 1 0 0 0 0 2 35 1 0 0 0 0 3 33 1 0 0 0 0 3 36 1 0 0 0 0 4 34 2 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 17 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 18 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 19 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 22 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 20 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 21 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 23 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 24 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 25 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 26 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 27 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 28 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 29 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 30 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 34 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 35 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 36 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 37 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 38 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 39 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 88 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 37 93 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 38 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 M END $$$$ E0OY4C -OEChem-05082103132D 22 22 0 0 0 0 0 0 0999 V2000 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0P0SJ -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0P0TF -OEChem-05082103162D 21 11 0 0 0 0 0 0 0999 V2000 3.3801 2.1554 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 3.0520 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.6037 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.2836 5.7591 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 5.0157 5.7591 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.0872 2.8625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4142 2.4142 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7071 0.7071 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7071 1.7071 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7603 3.3108 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3120 1.6378 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6390 1.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4333 3.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 8.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 6.2591 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.4176 6.2591 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 4.2536 8.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 8.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 14 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 15 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 16 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 8 4 3 5 3 6 2 7 2 8 -1 9 -1 10 -1 11 -1 M CHG 4 12 -1 13 -1 18 -2 19 -2 M END $$$$ E0P1KX -OEChem-05082103112D 50 49 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 -0.7500 0.0000 O 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 9.7942 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 8.9282 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 8.0622 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 7.1962 0.7500 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 6.3301 0.2500 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 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 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 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 1.2869 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 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 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 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 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 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 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 16 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 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 18 50 1 0 0 0 0 M END $$$$ E0P1PI -OEChem-05082103102D 18 12 0 0 0 0 0 0 0999 V2000 5.4641 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6962 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 17 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 18 2 0 0 0 0 M CHG 8 4 1 5 1 6 1 7 1 8 1 11 -1 13 -1 14 -1 M CHG 2 15 -1 16 -1 M END $$$$ E0P4FL -OEChem-05082103122D 66 68 0 1 0 0 0 0 0999 V2000 7.7331 2.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 4.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 3.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4023 4.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1979 3.5801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2844 3.1733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.3369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3889 2.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.8369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6102 3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6458 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 3.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 3.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 1.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9388 2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 3.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 4.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 4.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 4.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 20 1 1 6 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 28 4 1 6 0 0 0 18 5 1 6 0 0 0 5 54 1 0 0 0 0 6 28 1 0 0 0 0 6 33 1 0 0 0 0 19 7 1 1 0 0 0 7 55 1 0 0 0 0 22 8 1 6 0 0 0 8 56 1 0 0 0 0 24 9 1 1 0 0 0 9 58 1 0 0 0 0 25 10 1 6 0 0 0 10 57 1 0 0 0 0 11 26 1 0 0 0 0 11 61 1 0 0 0 0 29 12 1 6 0 0 0 12 62 1 0 0 0 0 30 13 1 1 0 0 0 13 63 1 0 0 0 0 14 31 1 0 0 0 0 14 65 1 0 0 0 0 32 15 1 1 0 0 0 15 64 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 31 1 6 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 1 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 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 27 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 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 32 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 1 0 0 0 33 53 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ E0P5KD -OEChem-05082103082D 8 7 0 0 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ E0P9YZ -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E0PC8F -OEChem-05082103102D 8 5 0 1 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0PJ5J -OEChem-05082103052D 17 18 0 0 0 0 0 0 0999 V2000 4.6783 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 0.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ E0PJ6D -OEChem-04012200592D 55 55 0 1 0 0 0 0 0999 V2000 6.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 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 8.5991 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 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 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -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 6.8671 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 3 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 7.7331 0.5000 0.0000 C 0 0 1 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 6.0010 -2.5000 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 9.4651 -0.5000 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 6.0010 -3.5000 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 6.1309 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 2.0000 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 7.9791 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4750 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 9.9326 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 4.0826 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 2.0000 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.8100 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 1 14 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 12 1 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 15 5 1 1 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 52 1 0 0 0 0 8 22 1 0 0 0 0 8 53 1 0 0 0 0 9 24 1 0 0 0 0 9 54 1 0 0 0 0 10 25 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 26 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 1 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 17 21 1 0 0 0 0 17 33 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 24 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 20 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 23 25 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 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$ E0PJ6I -OEChem-05082103162D 107117 0 0 0 0 0 0 0999 V2000 24.8935 2.8343 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 21.3967 2.8343 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.6124 2.8817 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 16.1091 2.8547 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.3251 2.9428 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 2.9967 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 26.6753 -0.2244 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 19.6150 -0.2244 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 -0.1632 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.8672 -0.2177 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -0.1430 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0342 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 1.3950 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 18.7471 1.3272 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 22.3361 -0.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 -0.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1451 1.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3528 1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0573 -2.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4070 -2.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5815 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6753 1.8239 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.6150 1.8239 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8229 1.8850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.8830 1.8306 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0910 1.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0316 2.0139 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.1451 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3373 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9542 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 -0.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0112 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2791 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4752 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2072 0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6451 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8255 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -1.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0112 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2791 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2149 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6451 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8255 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9496 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9051 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3852 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5772 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0970 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2893 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8460 -2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6168 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 -2.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9051 1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3852 1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1129 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3188 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1483 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8112 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4791 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6751 0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6894 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 -2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8112 1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4791 1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6831 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0150 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3832 -0.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0959 -0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8979 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3923 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5796 -0.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0850 -0.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -0.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3907 -3.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 -3.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9292 -2.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5370 -2.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 -2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8804 -3.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5760 -3.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -3.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 66 1 0 0 0 0 2 67 1 0 0 0 0 3 68 1 0 0 0 0 4 69 1 0 0 0 0 5 70 1 0 0 0 0 6 71 1 0 0 0 0 7 75 1 0 0 0 0 8 76 1 0 0 0 0 9 77 1 0 0 0 0 10 78 1 0 0 0 0 11 79 1 0 0 0 0 12 80 1 0 0 0 0 15 30 1 0 0 0 0 15 51 1 0 0 0 0 16 31 1 0 0 0 0 16 52 1 0 0 0 0 17 32 1 0 0 0 0 17 53 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 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 2 0 0 0 0 22 52 2 0 0 0 0 23 53 2 0 0 0 0 24 84 1 0 0 0 0 25 85 1 0 0 0 0 26 86 1 0 0 0 0 27 87 1 0 0 0 0 28 88 1 0 0 0 0 29 89 1 0 0 0 0 30 33 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 31 34 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 35 1 0 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 33 54 2 0 0 0 0 34 43 1 0 0 0 0 34 55 2 0 0 0 0 35 44 1 0 0 0 0 35 56 2 0 0 0 0 36 45 1 0 0 0 0 36 57 2 0 0 0 0 37 46 1 0 0 0 0 37 58 2 0 0 0 0 38 47 1 0 0 0 0 38 59 2 0 0 0 0 39 48 1 0 0 0 0 39 60 2 0 0 0 0 40 49 1 0 0 0 0 40 61 2 0 0 0 0 41 50 1 0 0 0 0 41 62 2 0 0 0 0 42 51 1 0 0 0 0 42 63 2 0 0 0 0 43 52 1 0 0 0 0 43 64 2 0 0 0 0 44 53 1 0 0 0 0 44 65 2 0 0 0 0 45 66 2 0 0 0 0 46 67 2 0 0 0 0 47 68 2 0 0 0 0 48 69 2 0 0 0 0 49 70 2 0 0 0 0 50 71 2 0 0 0 0 54 72 1 0 0 0 0 54 90 1 0 0 0 0 55 73 1 0 0 0 0 55 91 1 0 0 0 0 56 74 1 0 0 0 0 56 92 1 0 0 0 0 57 75 1 0 0 0 0 57 93 1 0 0 0 0 58 76 1 0 0 0 0 58 94 1 0 0 0 0 59 77 1 0 0 0 0 59 95 1 0 0 0 0 60 78 1 0 0 0 0 60 96 1 0 0 0 0 61 79 1 0 0 0 0 61 97 1 0 0 0 0 62 80 1 0 0 0 0 62 98 1 0 0 0 0 63 81 1 0 0 0 0 63 99 1 0 0 0 0 64 82 1 0 0 0 0 64100 1 0 0 0 0 65 83 1 0 0 0 0 65101 1 0 0 0 0 66 84 1 0 0 0 0 67 85 1 0 0 0 0 68 86 1 0 0 0 0 69 87 1 0 0 0 0 70 88 1 0 0 0 0 71 89 1 0 0 0 0 72 81 2 0 0 0 0 72102 1 0 0 0 0 73 82 2 0 0 0 0 73103 1 0 0 0 0 74 83 2 0 0 0 0 74104 1 0 0 0 0 75 84 2 0 0 0 0 76 85 2 0 0 0 0 77 86 2 0 0 0 0 78 87 2 0 0 0 0 79 88 2 0 0 0 0 80 89 2 0 0 0 0 81105 1 0 0 0 0 82106 1 0 0 0 0 83107 1 0 0 0 0 M CHG 8 13 3 14 3 24 -1 25 -1 26 -1 27 -1 28 -1 29 -1 M END $$$$ E0PP0G -OEChem-05082103162D 24 15 0 0 0 0 0 0 0999 V2000 1.4030 3.2975 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 6.6419 1.3100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 5.3429 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.7975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 3.7975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 2.2975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5079 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7759 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6419 0.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9409 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0449 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 13 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 M CHG 8 1 3 2 3 5 -1 6 -1 7 -1 8 -1 9 -1 10 -1 M END $$$$ E0PV4P -OEChem-05082103092D 26 26 0 1 0 0 0 0 0999 V2000 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0PZ2V -OEChem-05082103142D 84 83 0 0 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -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 8.9282 -2.2500 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 3.7320 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 21.0526 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 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 3.7320 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 11.5263 -2.7500 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 2.8660 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 21.9186 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 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 2.8660 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 5.4641 -2.2500 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 22.7846 -2.2500 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 18.0560 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 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 3.9441 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 23.0946 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -1.7131 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 1.4631 4.0600 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 23 1 0 0 0 0 1 28 1 0 0 0 0 2 28 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 13 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 14 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 15 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 18 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 17 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 22 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 23 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 24 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 26 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 25 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 27 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 29 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 28 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 30 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 2 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 29 79 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 30 84 1 0 0 0 0 M END $$$$ E0Q0RB -OEChem-05082103112D 54 53 0 1 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.2500 0.0000 O 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 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 6.3301 -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 5.4641 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 4.5981 -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 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.9904 -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 3 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 C 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 8.4607 -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 9.3267 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 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 4.1306 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 3.2646 -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 13.6569 -0.7249 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 16.3933 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2364 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 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 19 1 0 0 0 0 2 54 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 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 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 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 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 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 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 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 M END $$$$ E0Q1LD -OEChem-05082103092D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 6 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 1 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0Q2ZN -OEChem-05082103042D 17 17 0 1 0 0 0 0 0999 V2000 4.2920 1.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.3665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -0.0877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 1.1723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.3749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 0.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8798 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2442 1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0Q3JF -OEChem-05272104372D 10 6 0 0 0 0 0 0 0999 V2000 2.7071 -0.7241 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.3801 0.7241 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.2759 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0532 1.1724 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7071 -0.7241 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7071 0.2759 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4142 0.9830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0872 1.4312 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 M CHG 6 3 3 4 1 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0Q3PU -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1509 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 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 12 2 1 6 0 0 0 16 2 1 6 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 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 6 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 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E0Q3SU -OEChem-05082103162D 32 33 0 1 0 0 0 0 0999 V2000 5.4071 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.5199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0981 2.5199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 3.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 2.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 2.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 0.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 3.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 3.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0559 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 6 1 0 0 0 0 2 7 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 5 17 1 0 0 0 0 6 9 1 6 0 0 0 6 18 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 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 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 28 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 M END $$$$ E0Q3UJ -OEChem-05082103072D 9 8 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0Q4LO -OEChem-05082103072D 7 6 0 0 0 0 0 0 0999 V2000 4.2690 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0Q5PL -OEChem-05082103142D 31 32 0 0 0 0 0 0 0999 V2000 4.6306 5.8975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7011 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.6306 2.8975 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4668 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 2.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 4.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 3.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 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 3 13 1 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 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 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 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 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 26 1 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 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$ E0Q6DQ -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 21 1 0 0 0 0 8 2 1 6 0 0 0 2 22 1 0 0 0 0 9 3 1 1 0 0 0 3 23 1 0 0 0 0 10 4 1 1 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0Q7OI -OEChem-05082103092D 61 61 0 0 0 0 0 0 0999 V2000 2.8660 -5.8730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -6.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 5.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1270 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 8.0622 2.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1270 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 6.3301 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 6.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 5.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 6.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 7.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 7.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 7.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 6.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 4.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 4.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 5.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9930 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 7 2 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 22 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 26 1 0 0 0 0 5 61 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 13 1 0 0 0 0 9 10 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 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 11 18 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 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 21 2 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 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 24 25 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 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 M END $$$$ E0Q8ZK -OEChem-05082103102D 7 5 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0Q9JT -OEChem-05082103082D 22 18 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E0Q9KG -OEChem-05082103092D 87 89 0 1 0 0 0 0 0999 V2000 16.7224 4.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.5885 6.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.7224 5.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7224 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5263 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 N 0 3 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 14.1244 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 14.9904 1.7500 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 7.1962 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 8.0622 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 13.2583 0.7500 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 15.8564 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 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 8.9282 -0.7500 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 9.7942 -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 15.8564 -0.7500 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 15.8564 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 12.3923 -2.7500 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 16.7224 1.7500 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 16.7224 3.7500 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 11.5263 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 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 17.5885 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 17.5885 3.2500 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 14.7783 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2364 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 3.5600 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 12.9292 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.9400 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 18.1254 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0600 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 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 46 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 47 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 29 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 30 2 0 0 0 0 21 31 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 56 1 0 0 0 0 23 57 1 0 0 0 0 24 37 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 38 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 41 2 0 0 0 0 26 42 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 39 2 0 0 0 0 29 43 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 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 68 1 0 0 0 0 35 69 1 0 0 0 0 36 40 2 0 0 0 0 36 44 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 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 45 1 0 0 0 0 39 76 1 0 0 0 0 40 46 1 0 0 0 0 40 77 1 0 0 0 0 41 48 1 0 0 0 0 41 78 1 0 0 0 0 42 49 2 0 0 0 0 42 79 1 0 0 0 0 43 50 2 0 0 0 0 43 80 1 0 0 0 0 44 51 2 0 0 0 0 44 81 1 0 0 0 0 45 52 2 0 0 0 0 46 53 2 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 53 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 53 87 1 0 0 0 0 M CHG 6 4 1 5 1 6 -1 9 -1 12 -1 16 1 M END $$$$ E0QA5A -OEChem-04012200562D 26 26 0 1 0 0 0 0 0999 V2000 2.8660 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END $$$$ E0QA6Q -OEChem-05082103092D 63 62 0 1 0 0 0 0 0999 V2000 8.0622 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 C 0 0 3 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 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 11.5263 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 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8100 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 13.2583 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 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 14.9904 1.3100 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 15.8564 0.8100 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 16.7224 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 17.5885 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 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 5.9316 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 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 17.1210 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.7850 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 17.2785 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 53 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 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 6 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 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 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 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 12 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 11 40 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 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 18 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 20 1 0 0 0 0 18 54 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 58 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 21 63 1 0 0 0 0 M END $$$$ E0QA6S -OEChem-05082103162D 88 91 0 1 0 0 0 0 0999 V2000 4.2441 2.2936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 7.4207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 9.8617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 12.8014 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 4.0704 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 2.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7138 8.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3115 7.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 7.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 10.8014 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3397 10.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 9.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 6.6239 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3762 4.2543 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4369 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 5.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 6.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 7.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 5.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 4.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 4.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 6.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 4.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 5.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 7.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 7.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0298 6.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 4.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 7.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 5.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 8.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 5.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 6.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 5.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 8.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 7.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 3.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 3.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8525 2.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3652 5.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9606 5.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 7.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 7.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 8.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 2.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 1.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6465 6.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 8.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 6.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7291 4.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 5.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 9.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3244 8.4680 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 7 2 0 0 0 0 1 36 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 45 1 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 3 13 2 0 0 0 0 3 46 1 0 0 0 0 5 87 1 0 0 0 0 8 88 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 2 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 21 34 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 35 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 36 1 0 0 0 0 23 37 2 0 0 0 0 24 38 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 39 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 30 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 63 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 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 40 2 0 0 0 0 34 42 1 0 0 0 0 35 41 2 0 0 0 0 35 43 1 0 0 0 0 36 44 2 0 0 0 0 37 47 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 45 1 0 0 0 0 40 76 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 49 2 0 0 0 0 42 78 1 0 0 0 0 43 50 2 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 45 51 2 0 0 0 0 46 52 2 0 0 0 0 47 48 2 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 51 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 M CHG 2 11 -1 15 1 M END $$$$ E0QG8L -OEChem-05082103072D 20 19 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 M END $$$$ E0QK1M -OEChem-05082103062D 9 8 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0QK2X -OEChem-05082103102D 5 3 0 0 0 0 0 0 0999 V2000 0.6160 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 4 1 1 2 -1 3 -1 5 1 M END $$$$ E0QQ5H -OEChem-05082103142D 131119 0 1 0 0 0 0 0999 V2000 10.1060 5.8100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 10.5390 17.5500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.4030 9.8350 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 9.2400 6.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4050 17.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1060 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 18.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 6.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1060 4.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6730 17.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8380 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 18.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 10.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 14.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 14.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 8.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 16.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 16.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 18.5500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 10.3350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 10.3350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 8.8350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5079 7.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 17.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 17.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 14.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 9.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 14.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 16.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 16.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 7.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1371 17.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7041 6.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2400 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9409 17.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5079 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 14.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 14.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 17.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 17.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3021 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 8.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 16.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 15.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4920 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0935 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3181 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 15.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 16.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2959 8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 15.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 16.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7822 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8939 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 16.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4643 15.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 18.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 18.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 7.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 6.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0452 17.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2721 17.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4252 18.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9921 5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8391 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6122 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8179 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 18.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 17.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 17.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9731 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5090 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 18.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 53 1 0 0 0 0 5 54 1 0 0 0 0 6 53 2 0 0 0 0 7 54 2 0 0 0 0 8 55 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 0 0 0 0 11 55 2 0 0 0 0 12 56 2 0 0 0 0 13 57 2 0 0 0 0 14 58 2 0 0 0 0 15 59 2 0 0 0 0 16 60 2 0 0 0 0 17 61 2 0 0 0 0 18 62 2 0 0 0 0 19 63 2 0 0 0 0 20 64 2 0 0 0 0 21 65 2 0 0 0 0 22 66 2 0 0 0 0 23 67 2 0 0 0 0 24128 1 0 0 0 0 25129 1 0 0 0 0 26130 1 0 0 0 0 27131 1 0 0 0 0 43 28 1 1 0 0 0 28 63 1 0 0 0 0 28 98 1 0 0 0 0 44 29 1 1 0 0 0 29 64 1 0 0 0 0 29 99 1 0 0 0 0 45 30 1 6 0 0 0 30 65 1 0 0 0 0 30100 1 0 0 0 0 46 31 1 6 0 0 0 31 66 1 0 0 0 0 31101 1 0 0 0 0 47 32 1 6 0 0 0 32 67 1 0 0 0 0 32102 1 0 0 0 0 33 58 1 0 0 0 0 33118 1 0 0 0 0 33119 1 0 0 0 0 34 59 1 0 0 0 0 34120 1 0 0 0 0 34121 1 0 0 0 0 35 60 1 0 0 0 0 35122 1 0 0 0 0 35123 1 0 0 0 0 36 61 1 0 0 0 0 36124 1 0 0 0 0 36125 1 0 0 0 0 37 62 1 0 0 0 0 37126 1 0 0 0 0 37127 1 0 0 0 0 38 43 1 0 0 0 0 38 48 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 44 1 0 0 0 0 39 49 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 45 1 0 0 0 0 40 50 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 46 1 0 0 0 0 41 51 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 47 1 0 0 0 0 42 52 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 53 1 0 0 0 0 43 83 1 0 0 0 0 44 54 1 0 0 0 0 44 84 1 0 0 0 0 45 55 1 0 0 0 0 45 85 1 0 0 0 0 46 56 1 0 0 0 0 46 86 1 0 0 0 0 47 57 1 0 0 0 0 47 87 1 0 0 0 0 48 58 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 59 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 60 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 51 61 1 0 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 52 62 1 0 0 0 0 52 96 1 0 0 0 0 52 97 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68103 1 0 0 0 0 68104 1 0 0 0 0 68105 1 0 0 0 0 69106 1 0 0 0 0 69107 1 0 0 0 0 69108 1 0 0 0 0 70109 1 0 0 0 0 70110 1 0 0 0 0 70111 1 0 0 0 0 71112 1 0 0 0 0 71113 1 0 0 0 0 71114 1 0 0 0 0 72115 1 0 0 0 0 72116 1 0 0 0 0 72117 1 0 0 0 0 M CHG 8 1 3 2 3 3 3 4 -1 5 -1 8 -1 9 -1 10 -1 M CHG 4 24 -1 25 -1 26 -1 27 -1 M END $$$$ E0QU2K -OEChem-05082103072D 65 67 0 0 0 0 0 0 0999 V2000 5.5450 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 5.7979 4.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 9.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 7.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 4.5680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2678 4.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 5.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 5.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 7.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 4.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 4.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 6.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 6.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 5.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3242 3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 5.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0601 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 9.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 9.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 9.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 8.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 3.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 3.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 7.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 7.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 6.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 6.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5963 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7993 5.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1099 2.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7965 5.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 2.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 7.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 5.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 5.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 9.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 9.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 10.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 9.6804 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 34 1 0 0 0 0 3 65 1 0 0 0 0 4 34 2 0 0 0 0 5 12 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 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 7 14 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 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 25 1 0 0 0 0 14 26 2 0 0 0 0 15 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 27 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 29 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 30 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 31 2 0 0 0 0 25 34 1 0 0 0 0 26 32 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 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 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 33 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 M CHG 2 1 -1 5 1 M END $$$$ E0QV0V -OEChem-05082103122D 120117 0 0 0 0 0 0 0999 V2000 0.5369 5.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 6.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 9.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 10.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 10.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1111 1 0 0 0 0 2 41 1 0 0 0 0 2112 1 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 42 1 0 0 0 0 5118 1 0 0 0 0 6 43 1 0 0 0 0 6119 1 0 0 0 0 7 44 1 0 0 0 0 7120 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 12 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 18 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 21 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 19 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 20 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 23 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 22 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 26 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 25 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 28 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 27 1 0 0 0 0 24 77 1 0 0 0 0 24 78 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 30 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 31 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 32 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 33 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 34 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 91 1 0 0 0 0 31 92 1 0 0 0 0 32 36 1 0 0 0 0 32 93 1 0 0 0 0 32 94 1 0 0 0 0 33 37 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 34 38 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 39 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 36 40 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37 41 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 42 43 1 0 0 0 0 42 44 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 M END $$$$ E0QV6C -OEChem-05082103102D 58 58 0 0 0 0 0 0 0999 V2000 1.4030 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 10.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 8.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.6200 0.0000 O 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 2.3920 11.8600 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 2.3920 10.8600 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 4.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 11.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 11.8600 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 4.0010 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 10.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 10.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 9.3600 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 4.0010 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 9.3600 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 2.3920 8.8600 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 4.1241 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 4.6200 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 2.5150 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 12.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 13.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 12.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 11.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 12.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 12.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 11.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 10.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 9.0500 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 2.3920 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 10.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.6569 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 0.8469 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 7.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 7.8600 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 2 17 1 0 0 0 0 2 51 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 55 1 0 0 0 0 5 7 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 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 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 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 33 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 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 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 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 25 54 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 $$$$ E0QX7O -OEChem-05082103082D 73 73 0 0 0 0 0 0 0999 V2000 10.0021 7.2615 0.0000 Cl 0 5 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 5.7331 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 12.7540 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 3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 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 4.8671 6.6200 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 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 5.5210 13.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 13.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 12.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 12.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 13.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 14.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 14.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 14.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 15.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 14.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 12.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 12.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 13.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 9.3100 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 5.0791 6.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 6.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.5123 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 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 24 1 0 0 0 0 3 28 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 4 19 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 10 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 13 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 34 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 10 39 1 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 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 20 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 21 1 0 0 0 0 15 51 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 23 2 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 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 26 30 2 0 0 0 0 26 66 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 31 2 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$ E0QY1F -OEChem-05082103152D 21 13 0 0 0 0 0 0 0999 V2000 0.8660 7.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 5.5000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 4.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 M END $$$$ E0R0WE -OEChem-05082103132D 54 53 0 0 0 0 0 0 0999 V2000 2.5369 -2.2500 0.0000 O 0 0 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 12.9292 0.7500 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 12.9292 1.7500 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 6.8671 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -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 6.0010 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -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 5.1350 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 14.6613 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 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 7 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 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 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 10 14 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 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 17 2 0 0 0 0 16 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 19 53 1 0 0 0 0 M END $$$$ E0R2GM -OEChem-05082103132D 47 47 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 6.0010 -0.5000 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 4.2690 -3.5000 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 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 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 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 2 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 3.4030 -1.0000 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 6.8671 1.0000 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 2.5369 -0.5000 0.0000 C 0 0 0 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 2.0000 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 -2.6200 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 5.1350 -0.3800 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 3.4030 -0.3800 0.0000 H 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 7.4040 1.3100 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 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 6.3301 1.6900 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 3.7320 -3.8100 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 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.6077 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 3.7320 0.8100 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 6.0010 3.1200 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 8.2700 3.8100 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 14 2 1 6 0 0 0 17 2 1 6 0 0 0 12 3 1 6 0 0 0 3 35 1 0 0 0 0 13 4 1 1 0 0 0 4 36 1 0 0 0 0 15 5 1 6 0 0 0 5 37 1 0 0 0 0 18 6 1 1 0 0 0 6 42 1 0 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 21 9 1 1 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 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 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 1 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 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 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0R3DX -OEChem-05082103092D 61 60 0 1 0 0 0 0 0999 V2000 15.8564 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 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 9.7942 -0.4050 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 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 11.5263 -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 12.3923 0.0950 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 13.2583 -0.4050 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 14.1244 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 14.9904 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4545 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 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 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 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 16.3239 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.2150 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 20 2 0 0 0 0 3 22 1 0 0 0 0 3 60 1 0 0 0 0 4 23 1 0 0 0 0 4 61 1 0 0 0 0 5 6 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 10 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 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 16 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 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 20 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 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 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 M END $$$$ E0R3FK -OEChem-05082103072D 46 46 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 6.0010 -0.5000 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 6.0010 -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 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 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 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 2 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 3.4030 -1.0000 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 6.8671 1.0000 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 2.5369 -0.5000 0.0000 C 0 0 0 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 2.0000 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 3.7320 -2.8100 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 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 3.4030 -0.3800 0.0000 H 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 7.4040 1.3100 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 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 6.3301 1.6900 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 3.7320 -3.8100 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 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 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 3.7320 0.8100 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 6.0010 3.1200 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 8.2700 3.8100 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 16 2 1 1 0 0 0 18 2 1 6 0 0 0 13 3 1 1 0 0 0 3 37 1 0 0 0 0 14 4 1 6 0 0 0 4 36 1 0 0 0 0 15 5 1 1 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 41 1 0 0 0 0 20 7 1 6 0 0 0 7 42 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 22 9 1 1 0 0 0 9 44 1 0 0 0 0 10 23 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 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 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 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ E0R5ZD -OEChem-05082103152D 16 14 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E0R7KQ -OEChem-05082103042D 3 2 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 M END $$$$ E0R8DK -OEChem-05082103142D 13 10 0 0 0 0 0 0 0999 V2000 4.3066 -0.5995 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3066 -2.0137 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.3066 2.0137 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 5.2304 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3827 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -1.3066 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0137 -1.3066 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2304 1.6310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3827 1.6310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6131 0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 2 0 0 0 0 M CHG 6 4 2 5 2 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0R8WC -OEChem-05082103072D 70 69 0 0 0 0 0 0 0999 V2000 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 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 16.3933 0.7500 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 17.2594 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.7500 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 18.9914 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.7500 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 20.7235 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 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 22.4555 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 23.3215 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 6.8671 0.2500 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 4.2690 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 16.7919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 -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 23.6315 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8585 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0115 1.2869 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 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 4.6675 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 3.0044 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.2249 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 70 1 0 0 0 0 5 6 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 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 11 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 13 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 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 18 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 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 22 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 21 61 1 0 0 0 0 23 24 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 25 26 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 M END $$$$ E0R9NS -OEChem-05082103052D 2 1 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M END $$$$ E0RE5T -OEChem-05082103142D 58 58 0 1 0 0 0 0 0999 V2000 5.0298 -4.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -4.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -6.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -2.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -4.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -5.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -3.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -5.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -3.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -4.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -5.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -6.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -5.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -3.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -2.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 7.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 39 1 0 0 0 0 9 3 1 6 0 0 0 3 44 1 0 0 0 0 10 4 1 6 0 0 0 4 49 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 6 0 0 0 8 9 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 10 12 1 0 0 0 0 10 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 13 14 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 17 1 0 0 0 0 14 35 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 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 40 1 0 0 0 0 17 41 1 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 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 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 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$ E0RF4X -OEChem-05082103122D 57 54 0 1 0 0 0 0 0999 V2000 2.8660 -2.3100 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.9282 3.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 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 8.0622 3.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 O 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 5.4641 3.1900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 N 0 0 3 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 -3.8100 0.0000 N 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 5.4641 0.1900 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 5.4641 -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 4.5981 3.6900 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 6.3301 3.6900 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 3.7320 -0.8100 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 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 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 2.0000 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2977 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 3.5200 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.3351 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 6.0010 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 28 2 0 0 0 0 10 29 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 20 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 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 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 27 1 0 0 0 0 15 31 1 0 0 0 0 15 51 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 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 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 26 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 22 45 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 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 M CHG 5 1 2 2 1 3 -1 7 -1 8 -1 M END $$$$ E0RL2A -OEChem-05082103072D 18 17 0 1 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M END $$$$ E0RN8T -OEChem-05082103142D 3 0 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 M CHG 3 1 -1 2 -1 3 2 M END $$$$ E0RS6F -OEChem-05082103152D 66 64 0 0 0 0 0 0 0999 V2000 22.7846 0.2500 0.0000 Na 0 3 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 18.4545 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.0526 1.2500 0.0000 O 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 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 8.0622 -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 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 16.7224 -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 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 20.1865 -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 9.3957 -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 9.3267 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 11.0588 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 7.6636 -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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 14.5229 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 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.3335 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 15.4579 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 3.2646 -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 17.1210 -0.7249 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 19.3205 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 27 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 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 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 12 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 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 16 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 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 62 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 25 26 2 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 M CHG 2 1 1 4 -1 M END $$$$ E0RW1K -OEChem-05082103092D 39 34 0 0 0 0 0 0 0999 V2000 4.8301 1.4232 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6748 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6748 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 6.8301 -2.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 0.5572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 2.2893 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3982 4.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 3.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0843 -2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9447 -1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 5.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 4.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -2.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 0.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 26 1 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 26 2 0 0 0 0 15 27 2 0 0 0 0 16 28 2 0 0 0 0 17 29 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 29 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 8 1 2 2 2 3 2 6 -1 7 -1 10 -1 11 -1 12 -1 M CHG 1 13 -1 M END $$$$ E0S1ZN -OEChem-05082103062D 74 77 0 1 0 0 0 0 0999 V2000 2.5357 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5179 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4739 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 2.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 1 65 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 2 14 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 6 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 1 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 6 0 0 0 7 10 1 0 0 0 0 7 33 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 18 1 1 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 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 6 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 17 2 0 0 0 0 15 19 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 49 1 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 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 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 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 28 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 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 M END $$$$ E0S4FH -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 M CHG 3 2 2 3 -1 4 -1 M END $$$$ E0S6MC -OEChem-05082103112D 12 12 0 0 0 0 0 0 0999 V2000 4.8479 1.6739 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.0861 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 1.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0S7FK -OEChem-05082103162D 20 20 0 1 0 0 0 0 0999 V2000 5.0298 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 1.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4118 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 1 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0S8LC -OEChem-05082103152D 11 6 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7320 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0SA9J -OEChem-05082103132D 16 15 0 0 0 0 0 0 0999 V2000 2.5369 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0SF4Y -OEChem-05082103042D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0SG3E -OEChem-05082103122D 74 77 0 0 0 0 0 0 0999 V2000 2.0000 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -5.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.3840 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 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 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 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 8.9282 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.2500 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 7.1962 -2.7500 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 10.6603 -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 6.3301 -2.2500 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 8.0622 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 5.4641 -3.7500 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 1.7500 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 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.2847 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 9.8622 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7708 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 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 3.7320 5.2500 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 2.8660 3.7500 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 2.0000 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -5.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8700 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 7.1962 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.0829 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 5.4641 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.2131 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 4.0420 -3.2869 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 6.0841 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 28 1 0 0 0 0 6 63 1 0 0 0 0 7 32 2 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 9 40 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 26 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 62 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 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 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 25 2 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 32 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 31 34 1 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 37 41 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 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 41 2 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 M END $$$$ E0SJ4H -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 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 8.5991 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 2 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 7.7331 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 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 7.4040 0.1900 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 6.0010 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 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 4.5981 -2.8100 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 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 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 3.4030 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 14 1 1 1 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 13 4 1 1 0 0 0 4 38 1 0 0 0 0 16 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 1 0 0 0 6 40 1 0 0 0 0 18 7 1 1 0 0 0 7 41 1 0 0 0 0 20 8 1 6 0 0 0 8 42 1 0 0 0 0 21 9 1 1 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 15 1 0 0 0 0 12 24 1 0 0 0 0 13 20 1 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 15 22 1 1 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 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 1 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 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 $$$$ E0SK6B -OEChem-05082103142D 22 17 0 1 0 0 0 0 0999 V2000 6.0622 1.3100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 3 1 1 0 0 0 3 17 1 0 0 0 0 12 4 1 1 0 0 0 4 18 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0SL8I -OEChem-05082103112D 79 78 0 0 0 0 0 0 0999 V2000 12.6832 8.8700 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.1350 5.6200 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 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.8671 7.6200 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 5.7331 9.1200 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 5.7331 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.6200 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 15.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 16.1200 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 2.2690 1.1200 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 10.0632 16.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 17.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 8.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 9.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 10.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 12.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 11.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 11.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 12.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 13.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 13.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 13.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 13.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 15.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 14.5123 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 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 14.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 15.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 16.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 16.0123 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 2.8059 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 16.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 16.7277 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 10.6832 17.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 18.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 17.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 9 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 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 12 14 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 54 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 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 23 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 1 0 0 0 0 21 66 1 0 0 0 0 22 26 2 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 28 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 27 2 0 0 0 0 25 72 1 0 0 0 0 26 27 1 0 0 0 0 26 73 1 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 74 1 0 0 0 0 28 75 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 M CHG 2 1 -1 2 1 M END $$$$ E0SM9B -OEChem-05082103052D 8 7 0 0 0 0 0 0 0999 V2000 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0SZ4A -OEChem-05082103102D 25 25 0 0 0 0 0 0 0999 V2000 2.6723 2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.2264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 -0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -0.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 2.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$ E0T0AE -OEChem-05082103082D 98 97 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.7500 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 21.0526 0.7500 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 24.5167 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 9.7942 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 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 6.3301 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 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 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 12.3923 0.7500 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 27.1147 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 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 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 14.1244 0.7500 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 28.8468 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 0.7500 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 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0228 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4028 1.2869 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 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 32 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 13 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 14 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 15 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 17 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 18 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 16 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 19 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 20 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 21 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 22 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 23 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 25 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 28 1 0 0 0 0 24 77 1 0 0 0 0 24 78 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 30 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 31 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 32 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 33 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 34 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 M END $$$$ E0T0EN -OEChem-05082103112D 19 19 0 1 0 0 0 0 0999 V2000 2.0000 0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -0.8649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5691 0.0861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9511 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 -0.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -0.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 0.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -1.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -2.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7117 -0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 0.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0T0VW -OEChem-05082103092D 49 49 0 0 0 0 0 0 0999 V2000 3.8000 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.7742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.7942 3.7808 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.9340 5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3000 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9263 4.2775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5655 2.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 4.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6660 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1300 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 22 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 2 28 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 30 1 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 35 2 0 0 0 0 27 31 1 0 0 0 0 27 36 2 0 0 0 0 28 32 1 0 0 0 0 29 32 2 0 0 0 0 29 41 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 32 42 1 0 0 0 0 33 34 1 0 0 0 0 33 43 1 0 0 0 0 34 44 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 38 2 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 8 -1 11 -1 14 -1 M END $$$$ E0T1GY -OEChem-05082103082D 14 13 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0T1JI -OEChem-05082103162D 61 60 0 0 0 0 0 0 0999 V2000 2.8660 -5.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1830 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 -6.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 7.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 5.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8170 0.0000 C 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 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 6.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 5.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 4.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 4.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 6.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 7.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 7.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 7.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 6.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 5.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 4.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 5.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.0754 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 28 1 0 0 0 0 3 22 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 26 1 0 0 0 0 5 27 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 14 1 0 0 0 0 10 11 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 29 1 0 0 0 0 11 30 1 0 0 0 0 12 18 2 0 0 0 0 12 19 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 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 43 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 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 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 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 27 28 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 M CHG 2 2 1 6 -1 M END $$$$ E0T1MM -OEChem-05082103132D 8 7 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0T1XN -OEChem-05082103082D 69 68 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 12.0632 -0.2500 0.0000 C 0 0 0 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 11.1972 0.2500 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 10.3312 -0.2500 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 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 8.5991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 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 17.2594 -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 18.1254 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 18.9914 -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 19.8574 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 20.7235 -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 21.5895 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 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 9.8637 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 15.1288 -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 8.2006 -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 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 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 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -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 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 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 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 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 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -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 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8995 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2795 0.7869 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 22 1 0 0 0 0 1 69 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 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 23 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 M END $$$$ E0T2AJ -OEChem-05082103062D 29 28 0 0 0 0 0 0 0999 V2000 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$ E0T2PX -OEChem-05082103082D 43 42 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 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 12.0632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5000 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 13.7953 -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 14.6613 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.4749 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 14.9713 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 1.0369 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 1 2 1 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 2 16 1 0 0 0 0 3 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 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 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 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 14 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 13 33 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 17 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 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END $$$$ E0T2WF -OEChem-05082103152D 7 5 0 0 0 0 0 0 0999 V2000 2.5981 0.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 M END $$$$ E0T3DO -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0T3FM -OEChem-05082103142D 74 74 0 1 0 0 0 0 0999 V2000 5.0298 -7.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -5.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -6.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -7.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -8.0817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -8.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -5.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 6.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 7.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 9.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -6.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -6.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -8.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -8.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -8.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -5.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -1.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 0.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -2.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 6.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 7.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 5.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 7.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 5.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 7.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 8.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 8.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 7.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5729 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 10.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 39 1 0 0 0 0 9 3 1 6 0 0 0 3 40 1 0 0 0 0 10 4 1 6 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 6 0 0 0 8 9 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 12 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 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 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 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 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 25 1 0 0 0 0 22 58 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 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 28 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 29 2 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 68 1 0 0 0 0 28 69 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 30 74 1 0 0 0 0 M END $$$$ E0T3HF -OEChem-05082103102D 6 3 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0T3JQ -OEChem-05082103112D 9 6 0 1 0 0 0 0 0999 V2000 2.0000 -0.3170 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 M CHG 4 1 1 2 1 5 -1 8 -1 M END $$$$ E0T4TW -OEChem-05082103052D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0T5CX -OEChem-05082103122D 54 52 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 5.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 4.5230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 5.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4307 5.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 5.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 4.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 4.7130 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 2 0 0 0 0 1 5 2 0 0 0 0 2 18 1 0 0 0 0 3 47 1 0 0 0 0 6 21 1 0 0 0 0 6 54 1 0 0 0 0 7 20 1 0 0 0 0 7 52 1 0 0 0 0 7 53 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 14 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 13 33 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 17 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 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 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 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 M END $$$$ E0T6IU -OEChem-04012200582D 139138 0 1 0 0 0 0 0999 V2000 6.3301 -6.5670 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -7.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -5.7010 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 -7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.4545 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 0.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 3.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 4.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 6.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 5.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -7.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -7.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -2.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 5.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 6.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -7.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -7.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -7.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -6.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -5.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -5.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -6.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -6.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -2.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 7.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 6.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5587 -6.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9387 -5.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 6.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 7.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 7.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -4.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -5.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -7.0419 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 8 1 0 0 0 0 1 9 2 0 0 0 0 2 44 1 0 0 0 0 47 3 1 1 0 0 0 3 48 1 0 0 0 0 4 50 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 0 0 0 0 6 48 2 0 0 0 0 7 50 2 0 0 0 0 10 36 1 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 13 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 14 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 16 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 17 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 18 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 17 19 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 18 24 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 25 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 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 26 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 27 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 31 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 84 1 0 0 0 0 26 85 1 0 0 0 0 27 29 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 32 1 0 0 0 0 28 88 1 0 0 0 0 28 89 1 0 0 0 0 29 33 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 34 1 0 0 0 0 30 92 1 0 0 0 0 30 93 1 0 0 0 0 31 35 1 0 0 0 0 31 94 1 0 0 0 0 31 95 1 0 0 0 0 32 37 1 0 0 0 0 32 96 1 0 0 0 0 32 97 1 0 0 0 0 33 38 1 0 0 0 0 33 98 1 0 0 0 0 33 99 1 0 0 0 0 34 42 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35 43 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 44 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 37 45 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38 46 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40113 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41116 1 0 0 0 0 41117 1 0 0 0 0 41118 1 0 0 0 0 42 48 1 0 0 0 0 42119 1 0 0 0 0 42120 1 0 0 0 0 43 49 1 0 0 0 0 43121 1 0 0 0 0 43122 1 0 0 0 0 44123 1 0 0 0 0 44124 1 0 0 0 0 45 50 1 0 0 0 0 45125 1 0 0 0 0 45126 1 0 0 0 0 46 51 1 0 0 0 0 46127 1 0 0 0 0 46128 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 47129 1 0 0 0 0 49130 1 0 0 0 0 49131 1 0 0 0 0 49132 1 0 0 0 0 51133 1 0 0 0 0 51134 1 0 0 0 0 51135 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 53138 1 0 0 0 0 53139 1 0 0 0 0 M CHG 2 8 -1 10 1 M END $$$$ E0T6SJ -OEChem-05082103152D 64 62 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 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 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 -0.0000 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 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 17.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.5000 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 19.3205 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.0000 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 -0.0000 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 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0946 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 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 5.0656 -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 1 6 1 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 3 20 1 0 0 0 0 3 22 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 27 1 0 0 0 0 10 11 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 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 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 18 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 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 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 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 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 27 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 M CHG 2 2 1 7 -1 M END $$$$ E0T6UJ -OEChem-05082103102D 8 5 0 0 0 0 0 0 0999 V2000 5.1350 -0.4330 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 1.2990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9030 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0T9HR -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0TB1K -OEChem-05082103112D 26 24 0 1 0 0 0 0 0999 V2000 6.6116 2.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6106 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 9 4 1 6 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$ E0TB6W -OEChem-05082103152D 12 10 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0TD8C -OEChem-05082103062D 14 13 0 1 0 0 0 0 0999 V2000 2.5369 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 5 4 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0TF8N -OEChem-05082103152D 48 46 0 0 0 0 0 0 0999 V2000 3.7320 0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0670 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5670 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 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0419 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 7 2 0 0 0 0 1 21 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 20 2 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 14 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 13 33 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 17 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 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 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 21 47 1 0 0 0 0 21 48 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ E0TH0K -OEChem-05082103062D 27 28 0 1 0 0 0 0 0999 V2000 7.2566 1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 0.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 2.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 8 4 1 1 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$ E0TI0V -OEChem-05082103162D 52 53 0 1 0 0 0 0 0999 V2000 4.2838 -0.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -2.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 -3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -1.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -3.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 0.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2838 -1.1636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9178 1.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9748 -2.1146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7838 -2.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9178 2.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5929 -2.1146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7838 2.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6499 2.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2838 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 -2.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0313 -1.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 1.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 -0.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -0.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 -2.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6302 -1.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 2.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 -3.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 -0.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 -3.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4038 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4738 1.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 14 4 1 6 0 0 0 4 42 1 0 0 0 0 15 5 1 6 0 0 0 5 43 1 0 0 0 0 16 6 1 1 0 0 0 6 44 1 0 0 0 0 17 7 1 1 0 0 0 7 45 1 0 0 0 0 19 8 1 6 0 0 0 8 47 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 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 27 1 0 0 0 0 15 16 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 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 6 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 24 1 1 0 0 0 20 33 1 0 0 0 0 21 25 1 0 0 0 0 21 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 23 38 1 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 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$ E0TK4J -OEChem-05082103092D 49 49 0 0 0 0 0 0 0999 V2000 4.5981 0.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1604 -3.7772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7329 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 5.2671 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2771 -5.2671 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.1282 1.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2329 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 4.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1488 -4.7771 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1605 -3.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1604 -3.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 0.7325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 0.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 -2.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9314 -2.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8434 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8554 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 4.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 -2.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -0.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 -3.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 -0.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3755 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3947 -0.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 2.0509 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 21 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 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 30 1 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 29 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 32 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 35 2 0 0 0 0 28 31 1 0 0 0 0 28 36 2 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 32 42 1 0 0 0 0 33 34 1 0 0 0 0 33 43 1 0 0 0 0 34 44 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 38 2 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 8 -1 11 -1 14 -1 M END $$$$ E0TR1W -OEChem-05082103082D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0TR9B -OEChem-05082103132D 7 4 0 0 0 0 0 0 0999 V2000 3.0000 -0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.8660 1.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 M CHG 6 2 3 3 2 4 -1 5 -1 6 -1 7 -1 M END $$$$ E0TU6R -OEChem-05082103112D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 -0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E0TZ9C -OEChem-05082103132D 12 10 0 0 0 0 0 0 0999 V2000 0.0000 2.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.6569 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8660 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 5.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$ E0U0XD -OEChem-05082103142D 15 13 0 1 0 0 0 0 0999 V2000 5.5006 -0.7886 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -1.4121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5006 0.2114 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1204 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 0.6124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0U1SV -OEChem-04012200502D 120119 0 0 0 0 0 0 0999 V2000 17.5885 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 0.4050 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 30.5788 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -0.0950 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 31.4449 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 0.4050 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 32.3109 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -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 33.1769 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 34.0429 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -0.0950 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 34.9090 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.4050 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 35.7750 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -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 36.6410 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -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 4.1306 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1735 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3765 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -0.5699 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 1.4631 -0.4050 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 36.3310 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9510 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 43 1 0 0 0 0 2 41 1 0 0 0 0 2 44 1 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 42 1 0 0 0 0 5120 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 13 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 17 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 18 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 19 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 20 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 21 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 22 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 25 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 26 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 27 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 28 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 29 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 30 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 31 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 32 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 33 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 34 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 35 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 36 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 37 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 38 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 39 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36 40 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 37 41 1 0 0 0 0 37107 1 0 0 0 0 37108 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 38111 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 39114 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 43116 1 0 0 0 0 43117 1 0 0 0 0 44118 1 0 0 0 0 44119 1 0 0 0 0 M END $$$$ E0U2AB -OEChem-05082103112D 54 58 0 0 0 0 0 0 0999 V2000 4.6660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -3.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 3.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -4.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 4.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -3.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 3.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -4.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 2.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -2.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 4.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -4.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 -4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 4.6078 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 7 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 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 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 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 16 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 34 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 21 2 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 24 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 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 45 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 31 50 1 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 32 54 1 0 0 0 0 M END $$$$ E0U2CF -OEChem-05082103122D 127130 0 1 0 0 0 0 0999 V2000 17.5883 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7281 -2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9814 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1154 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2494 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9276 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1154 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3394 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9276 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5113 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1315 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2383 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9814 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3313 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4125 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2334 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3471 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3959 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4647 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2168 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4563 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5705 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5275 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5060 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8166 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7242 -3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8563 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7952 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1488 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1243 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2602 -3.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3922 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 -3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7961 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0714 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8548 -2.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9855 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7674 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5139 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7169 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6766 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4650 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0373 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6388 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3495 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7406 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6316 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6014 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3614 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8207 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0226 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2358 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9671 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3519 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9986 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7969 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2601 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8530 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2374 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8306 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4551 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0319 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1564 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1090 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5069 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9137 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5265 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1198 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0093 3.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4559 -4.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2530 -4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9230 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4018 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6673 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6103 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6873 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 -2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5955 -2.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 -4.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5210 -4.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6605 -2.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -2.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 -4.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7889 -4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9285 -2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -2.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 -4.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0569 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 -2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3994 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -4.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 -4.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -4.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -4.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -2.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -3.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -4.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 1 28 1 0 0 0 0 2 28 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 15 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 48 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 49 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 50 1 6 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 51 1 6 0 0 0 8 11 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 16 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 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 18 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 6 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 18 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 23 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 25 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 78 1 0 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 26 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 27 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 86 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 33 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 34 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35 36 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 36 37 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37 38 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 38 39 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39 40 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40 41 1 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 41 42 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43 44 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 44 45 1 0 0 0 0 44119 1 0 0 0 0 44120 1 0 0 0 0 45 46 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 46 47 1 0 0 0 0 46123 1 0 0 0 0 46124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 47127 1 0 0 0 0 M END $$$$ E0U2IQ -OEChem-05082103092D 110109 0 0 0 0 0 0 0999 V2000 17.5885 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 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 9.7942 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 8.9282 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 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 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 7.1962 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 21.9186 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 6.3301 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 21.0526 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 14.1244 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 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 15.8564 0.7500 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 32.3109 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 16.7224 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 0.7500 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 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4869 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7138 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8669 1.2869 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 1 33 1 0 0 0 0 1 36 1 0 0 0 0 2 36 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 8 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 12 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 13 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 17 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 18 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 16 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 19 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 20 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 21 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 22 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 25 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 26 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 27 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 28 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 29 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 30 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 31 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 32 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 33 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 34 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 35 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 36 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 37 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 38 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 M END $$$$ E0U2KA -OEChem-05082103152D 62 59 0 0 0 0 0 0 0999 V2000 18.4545 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 17.5885 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.0950 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 12.3923 0.5950 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 13.2583 0.0950 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 14.1244 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 14.9904 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 15.8564 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 23 1 0 0 0 0 3 23 2 0 0 0 0 4 59 1 0 0 0 0 4 60 1 0 0 0 0 5 61 1 0 0 0 0 5 62 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 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 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 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 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 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 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 22 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 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 22 58 1 0 0 0 0 M END $$$$ E0U3AI -OEChem-05082103082D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0U3EK -OEChem-05082103112D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0U4QR -OEChem-05082103092D 43 45 0 0 0 0 0 0 0999 V2000 7.6378 -4.4892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 4.9902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 -0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 2.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 -4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 -4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7201 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 5.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 4.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 5.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -0.4892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 0.0986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 1.8586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 1.7541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -1.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8288 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -3.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 -2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 4.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0365 -0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 -3.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -3.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 3.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 4.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 3.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1748 -5.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 3.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 26 1 0 0 0 0 3 17 2 0 0 0 0 4 41 1 0 0 0 0 5 25 1 0 0 0 0 5 42 1 0 0 0 0 8 25 2 0 0 0 0 9 43 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 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 27 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 19 2 0 0 0 0 18 25 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 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 37 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M END $$$$ E0U6KS -OEChem-05082103102D 16 14 0 1 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0U7LV -OEChem-05082103142D 41 42 0 1 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -0.5950 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 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 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 1.9050 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 9.4651 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4750 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 1.9264 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.7150 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 11 2 1 1 0 0 0 2 13 1 0 0 0 0 7 3 1 1 0 0 0 3 29 1 0 0 0 0 8 4 1 6 0 0 0 4 30 1 0 0 0 0 9 5 1 6 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 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 8 10 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 10 12 1 1 0 0 0 10 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 14 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 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 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 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ E0U9HW -OEChem-05082103122D 24 24 0 1 0 0 0 0 0999 V2000 5.1350 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.9795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -1.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 9 4 1 1 0 0 0 4 22 1 0 0 0 0 10 5 1 6 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0U9NK -OEChem-05082103052D 27 27 0 0 0 0 0 0 0999 V2000 3.4030 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0UO2K -OEChem-05082103152D 70 70 0 1 0 0 0 0 0999 V2000 5.0298 -6.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -5.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -6.3807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -7.3317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -4.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 8.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -5.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -5.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -7.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -7.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -7.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -4.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -1.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -3.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 7.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 7.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6351 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 9.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3951 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 51 1 0 0 0 0 9 3 1 6 0 0 0 3 56 1 0 0 0 0 10 4 1 6 0 0 0 4 61 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 6 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 10 12 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 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 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 21 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 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 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 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 22 58 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 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 25 65 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 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 M END $$$$ E0US2M -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0UT5F -OEChem-05082103072D 40 40 0 1 0 0 0 0 0999 V2000 5.1350 -0.5000 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 2.5369 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 3 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 0.5000 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 5.1350 0.5000 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 7.7331 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 4.2690 -1.0000 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 3.4030 -2.5000 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 3.4030 -3.5000 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 -4.0000 0.0000 C 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 5.7890 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.0251 0.0000 H 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 4.9230 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 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 -4.6200 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 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 40 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 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 10 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 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 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 11 35 1 0 0 0 0 12 13 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 15 17 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 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ E0V3GR -OEChem-05082103152D 21 19 0 1 0 0 0 0 0999 V2000 2.7690 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.7690 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$ E0V3RU -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 6.8671 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 9 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0V4HH -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 5.1350 -0.2685 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0V5AX -OEChem-05082103072D 22 21 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 7 2 1 1 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0V6KE -OEChem-05082103052D 14 13 0 0 0 0 0 0 0999 V2000 3.4030 -0.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0V6QI -OEChem-05082103072D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0V9NU -OEChem-05082103122D 81 84 0 1 0 0 0 0 0999 V2000 2.5357 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.1735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.1313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.7291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -4.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -4.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 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 10 1 0 0 0 0 2 18 1 1 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 6 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 6 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 1 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 6 0 0 0 8 12 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 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 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 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 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 6 0 0 0 17 48 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 52 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 55 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 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 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 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 2 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 M END $$$$ E0VB2Y -OEChem-05082103102D 48 47 0 1 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 13.2583 -1.2500 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 3 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 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 14.1244 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0600 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 2 17 1 0 0 0 0 2 48 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 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 M END $$$$ E0VD9B -OEChem-05082103122D 126132 0 1 0 0 0 0 0999 V2000 8.5991 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 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 10.3312 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 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 8.4991 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 1.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0034 1.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0751 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2051 -0.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9157 0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8352 1.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -5.0000 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 14.6613 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5000 0.0000 O 0 0 0 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 5.1350 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -2.0000 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 11.1972 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -1.0000 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 11.1972 2.5000 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 9.4651 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 2.0000 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 6.8671 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 C 0 0 1 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 6.8671 -5.0000 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 12.0632 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 C 0 0 0 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 7.7331 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 -2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7993 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 2.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7993 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0916 -2.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 -1.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0676 1.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 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 13.4662 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 4.3100 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 7.4776 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8091 -2.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2486 -0.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6146 0.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 0.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 1.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 -1.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -0.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 -0.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 1.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 0.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1255 1.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.3100 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 15.1982 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 43 1 0 0 0 0 2 32 1 0 0 0 0 2 44 1 0 0 0 0 3 33 1 0 0 0 0 3 45 1 0 0 0 0 4 34 1 0 0 0 0 4 46 1 0 0 0 0 5 35 1 0 0 0 0 5 47 1 0 0 0 0 6 36 1 0 0 0 0 6 48 1 0 0 0 0 7 43 1 0 0 0 0 7 56 1 0 0 0 0 8 44 1 0 0 0 0 8 55 1 0 0 0 0 9 45 1 0 0 0 0 9 57 1 0 0 0 0 10 46 1 0 0 0 0 10 60 1 0 0 0 0 11 47 1 0 0 0 0 11 59 1 0 0 0 0 12 48 1 0 0 0 0 12 58 1 0 0 0 0 37 13 1 1 0 0 0 13109 1 0 0 0 0 38 14 1 1 0 0 0 14110 1 0 0 0 0 39 15 1 1 0 0 0 15111 1 0 0 0 0 40 16 1 1 0 0 0 16112 1 0 0 0 0 41 17 1 1 0 0 0 17113 1 0 0 0 0 42 18 1 1 0 0 0 18114 1 0 0 0 0 49 19 1 6 0 0 0 19115 1 0 0 0 0 54 20 1 6 0 0 0 20116 1 0 0 0 0 50 21 1 6 0 0 0 21117 1 0 0 0 0 52 22 1 6 0 0 0 22118 1 0 0 0 0 53 23 1 6 0 0 0 23119 1 0 0 0 0 51 24 1 6 0 0 0 24120 1 0 0 0 0 25 61 1 0 0 0 0 25121 1 0 0 0 0 26 63 1 0 0 0 0 26122 1 0 0 0 0 27 62 1 0 0 0 0 27123 1 0 0 0 0 28 64 1 0 0 0 0 28124 1 0 0 0 0 29 66 1 0 0 0 0 29125 1 0 0 0 0 30 65 1 0 0 0 0 30126 1 0 0 0 0 31 37 1 0 0 0 0 31 55 1 0 0 0 0 31 67 1 1 0 0 0 32 39 1 0 0 0 0 32 60 1 0 0 0 0 32 68 1 1 0 0 0 33 38 1 0 0 0 0 33 56 1 0 0 0 0 33 69 1 1 0 0 0 34 41 1 0 0 0 0 34 58 1 0 0 0 0 34 70 1 1 0 0 0 35 40 1 0 0 0 0 35 57 1 0 0 0 0 35 71 1 1 0 0 0 36 42 1 0 0 0 0 36 59 1 0 0 0 0 36 72 1 1 0 0 0 37 54 1 0 0 0 0 37 73 1 0 0 0 0 38 49 1 0 0 0 0 38 74 1 0 0 0 0 39 52 1 0 0 0 0 39 75 1 0 0 0 0 40 50 1 0 0 0 0 40 76 1 0 0 0 0 41 51 1 0 0 0 0 41 77 1 0 0 0 0 42 53 1 0 0 0 0 42 78 1 0 0 0 0 43 49 1 0 0 0 0 43 79 1 1 0 0 0 44 54 1 0 0 0 0 44 80 1 1 0 0 0 45 50 1 0 0 0 0 45 81 1 1 0 0 0 46 52 1 0 0 0 0 46 82 1 1 0 0 0 47 53 1 0 0 0 0 47 83 1 1 0 0 0 48 51 1 0 0 0 0 48 84 1 1 0 0 0 49 85 1 0 0 0 0 50 86 1 0 0 0 0 51 87 1 0 0 0 0 52 89 1 0 0 0 0 53 88 1 0 0 0 0 54 90 1 0 0 0 0 55 61 1 1 0 0 0 55 91 1 0 0 0 0 56 63 1 1 0 0 0 56 94 1 0 0 0 0 57 64 1 1 0 0 0 57 92 1 0 0 0 0 58 66 1 1 0 0 0 58 93 1 0 0 0 0 59 65 1 1 0 0 0 59 95 1 0 0 0 0 60 62 1 1 0 0 0 60 96 1 0 0 0 0 61 97 1 0 0 0 0 61 98 1 0 0 0 0 62 99 1 0 0 0 0 62100 1 0 0 0 0 63107 1 0 0 0 0 63108 1 0 0 0 0 64101 1 0 0 0 0 64102 1 0 0 0 0 65103 1 0 0 0 0 65104 1 0 0 0 0 66105 1 0 0 0 0 66106 1 0 0 0 0 M END $$$$ E0VM7C -OEChem-05082103092D 16 16 0 0 0 0 0 0 0999 V2000 4.5691 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0VN9W -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0VQ2W -OEChem-05082103162D 41 41 0 0 0 0 0 0 0999 V2000 2.0000 -3.4050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.9641 -2.2710 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 -1.9050 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 -1.4050 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 3.7320 1.5950 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 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 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 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 5 20 1 0 0 0 0 9 30 1 0 0 0 0 9 41 1 0 0 0 0 10 30 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 2 0 0 0 0 14 17 1 0 0 0 0 14 24 2 0 0 0 0 15 20 2 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 27 1 0 0 0 0 22 33 1 0 0 0 0 23 32 1 0 0 0 0 24 28 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 27 28 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0VR2M -OEChem-05082103052D 50 49 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 10.3312 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 11.1972 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 12.0632 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 12.9292 0.7500 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 13.7953 0.2500 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 14.6613 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 15.5273 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 16.3933 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.2250 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 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.2249 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 15.0598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 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 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -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 16.7033 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0833 1.2869 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 18 1 0 0 0 0 1 50 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 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 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 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 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 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 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 18 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 17 49 1 0 0 0 0 M END $$$$ E0VT1H -OEChem-05082103142D 75 74 0 1 0 0 0 0 0999 V2000 6.8671 -0.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 -0.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 -0.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1455 0.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -2.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 2 73 1 0 0 0 0 3 28 2 0 0 0 0 4 30 1 0 0 0 0 4 74 1 0 0 0 0 5 30 2 0 0 0 0 6 31 1 0 0 0 0 6 75 1 0 0 0 0 7 31 2 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 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 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 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 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 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 25 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 29 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 M END $$$$ E0VT4B -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 2.0000 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ E0VW7D -OEChem-05082103092D 23 20 0 1 0 0 0 0 0999 V2000 6.0010 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0VW7Y -OEChem-05082103162D 17 14 0 0 0 0 0 0 0999 V2000 2.5981 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 M END $$$$ E0VX5C -OEChem-05082103052D 81 82 0 1 0 0 0 0 0999 V2000 6.0290 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9350 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.5546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4383 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.1659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4450 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4516 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8383 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0334 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 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 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 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 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 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 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 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 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 29 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 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 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 28 71 1 0 0 0 0 29 72 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 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 M END $$$$ E0VY6L -OEChem-05082103132D 200199 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 38.3731 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9711 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5692 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1673 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7654 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3634 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9615 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5596 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.1577 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.7558 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.3538 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9519 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5500 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.1481 -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 36.6410 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5070 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2391 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1051 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8372 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7032 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4352 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3013 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0333 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8993 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6314 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4974 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2295 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0955 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8275 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6936 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4256 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.2917 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.0237 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8897 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6218 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4878 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.2199 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 66.0859 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.8179 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6840 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4160 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.2820 0.2500 0.0000 C 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 12.8598 -0.7249 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 14.5229 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 16.2549 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 16.3239 -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 18.0560 -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 19.7190 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 21.4511 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 21.5201 -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 23.2521 -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 24.9152 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 26.6472 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 26.7162 -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 28.4483 -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 30.1113 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 31.8434 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 31.9124 -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 33.6444 -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 35.3075 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 37.0395 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2425 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1085 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9056 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.8406 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.6376 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.5036 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.7066 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.2357 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.4386 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3047 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1017 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0367 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8338 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.6998 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9027 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.4319 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.6348 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.5008 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.2979 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.2329 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.0299 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.8960 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.0989 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.6280 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.8309 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.6970 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.4940 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.4290 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.2261 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.0921 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.2950 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.8242 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.0271 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.8931 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.6902 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.6252 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.4222 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.2883 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.4912 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.0203 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2232 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.0893 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.8863 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.8213 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.6184 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.4844 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.6873 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2165 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.4194 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2854 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 69.0825 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.0175 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.8145 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 71.6806 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.8835 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 72.6850 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 72 1 0 0 0 0 19 73 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 21 77 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 24 82 1 0 0 0 0 24200 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 28 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 29 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 30 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 31 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 32 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 33 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 34 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 35 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 36 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 36107 1 0 0 0 0 37 38 1 0 0 0 0 37108 1 0 0 0 0 37109 1 0 0 0 0 38110 1 0 0 0 0 38111 1 0 0 0 0 39 40 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41 42 1 0 0 0 0 41116 1 0 0 0 0 41117 1 0 0 0 0 42118 1 0 0 0 0 42119 1 0 0 0 0 43 44 1 0 0 0 0 43120 1 0 0 0 0 43121 1 0 0 0 0 44122 1 0 0 0 0 44123 1 0 0 0 0 45 46 1 0 0 0 0 45124 1 0 0 0 0 45125 1 0 0 0 0 46126 1 0 0 0 0 46127 1 0 0 0 0 47 48 1 0 0 0 0 47128 1 0 0 0 0 47129 1 0 0 0 0 48130 1 0 0 0 0 48131 1 0 0 0 0 49 50 1 0 0 0 0 49132 1 0 0 0 0 49133 1 0 0 0 0 50134 1 0 0 0 0 50135 1 0 0 0 0 51 52 1 0 0 0 0 51136 1 0 0 0 0 51137 1 0 0 0 0 52138 1 0 0 0 0 52139 1 0 0 0 0 53 54 1 0 0 0 0 53140 1 0 0 0 0 53141 1 0 0 0 0 54142 1 0 0 0 0 54143 1 0 0 0 0 55 56 1 0 0 0 0 55144 1 0 0 0 0 55145 1 0 0 0 0 56146 1 0 0 0 0 56147 1 0 0 0 0 57 58 1 0 0 0 0 57148 1 0 0 0 0 57149 1 0 0 0 0 58150 1 0 0 0 0 58151 1 0 0 0 0 59 60 1 0 0 0 0 59152 1 0 0 0 0 59153 1 0 0 0 0 60154 1 0 0 0 0 60155 1 0 0 0 0 61 62 1 0 0 0 0 61156 1 0 0 0 0 61157 1 0 0 0 0 62158 1 0 0 0 0 62159 1 0 0 0 0 63 64 1 0 0 0 0 63160 1 0 0 0 0 63161 1 0 0 0 0 64162 1 0 0 0 0 64163 1 0 0 0 0 65 66 1 0 0 0 0 65164 1 0 0 0 0 65165 1 0 0 0 0 66166 1 0 0 0 0 66167 1 0 0 0 0 67 68 1 0 0 0 0 67168 1 0 0 0 0 67169 1 0 0 0 0 68170 1 0 0 0 0 68171 1 0 0 0 0 69 70 1 0 0 0 0 69172 1 0 0 0 0 69173 1 0 0 0 0 70174 1 0 0 0 0 70175 1 0 0 0 0 71 72 1 0 0 0 0 71176 1 0 0 0 0 71177 1 0 0 0 0 72178 1 0 0 0 0 72179 1 0 0 0 0 73 74 1 0 0 0 0 73180 1 0 0 0 0 73181 1 0 0 0 0 74182 1 0 0 0 0 74183 1 0 0 0 0 75 76 1 0 0 0 0 75184 1 0 0 0 0 75185 1 0 0 0 0 76186 1 0 0 0 0 76187 1 0 0 0 0 77 78 1 0 0 0 0 77188 1 0 0 0 0 77189 1 0 0 0 0 78190 1 0 0 0 0 78191 1 0 0 0 0 79 80 1 0 0 0 0 79192 1 0 0 0 0 79193 1 0 0 0 0 80194 1 0 0 0 0 80195 1 0 0 0 0 81 82 1 0 0 0 0 81196 1 0 0 0 0 81197 1 0 0 0 0 82198 1 0 0 0 0 82199 1 0 0 0 0 M END $$$$ E0W0XS -OEChem-05082103072D 13 13 0 1 0 0 0 0 0999 V2000 3.7601 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.1816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2601 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -0.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END $$$$ E0W0YX -OEChem-05082103162D 9 7 0 1 0 0 0 0 0999 V2000 4.2690 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0W1BX -OEChem-05082103102D 6 3 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0W2JM -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 5.4641 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 M CHG 4 1 1 2 1 4 -1 5 -1 M END $$$$ E0W4GY -OEChem-05082103122D 59 58 0 1 0 0 0 0 0999 V2000 11.5263 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 12.3923 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 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 15.8564 -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 4.5981 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 16.7224 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 3.7320 -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 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -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 10.6603 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 -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 8.0622 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 2.0000 -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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 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 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 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 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 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 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 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 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 17.1899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -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 11.1972 -0.5600 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 18.7645 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 0.7869 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 10.0403 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -1.2500 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 19 1 0 0 0 0 2 20 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 10 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 28 1 0 0 0 0 7 29 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 13 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 14 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 38 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 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 22 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 23 1 0 0 0 0 17 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 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 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 M END $$$$ E0W4KH -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0W5DF -OEChem-05082103142D 57 57 0 1 0 0 0 0 0999 V2000 5.4641 -0.5000 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 4.5981 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 5.4641 1.5000 0.0000 N 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 6.3301 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 5.4641 2.5000 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 7.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 1 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 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 1 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 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 4.5981 -2.0000 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 2.0000 -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 -5.0000 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 6.5422 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.3800 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 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9174 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 3.1951 -0.1900 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 1.4631 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8100 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 2.8660 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.5369 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 6.6401 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 19 1 0 0 0 0 3 53 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 14 6 1 6 0 0 0 6 42 1 0 0 0 0 7 16 1 0 0 0 0 17 7 1 6 0 0 0 7 46 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 8 13 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 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 38 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 16 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 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 26 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 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 $$$$ E0W6SA -OEChem-05082103042D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ E0W7AC -OEChem-05082103062D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0WA2U -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0WJ8R -OEChem-05082103132D 50 49 0 1 0 0 0 0 0999 V2000 5.4165 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4165 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1486 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8931 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0927 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4912 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8700 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 15 2 1 1 0 0 0 18 2 1 6 0 0 0 13 3 1 6 0 0 0 3 36 1 0 0 0 0 14 4 1 1 0 0 0 4 37 1 0 0 0 0 16 5 1 1 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 43 1 0 0 0 0 20 7 1 6 0 0 0 7 44 1 0 0 0 0 8 21 1 0 0 0 0 8 45 1 0 0 0 0 22 9 1 1 0 0 0 9 46 1 0 0 0 0 10 23 1 0 0 0 0 10 47 1 0 0 0 0 11 24 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 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 22 24 1 0 0 0 0 22 35 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 M END $$$$ E0WR3V -OEChem-05082103092D 16 13 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0WT2I -OEChem-05082103162D 179184 0 1 0 0 0 0 0999 V2000 4.5709 4.0648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -7.1444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.4986 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8582 4.3230 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0565 0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 -2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 -1.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 4.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0792 -1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 -2.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 2.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 6.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8041 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0122 5.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4984 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 5.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3504 5.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9117 3.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 0.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4839 -0.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 0.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 3.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 6.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8038 2.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4638 8.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 4.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9343 0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 7.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 7.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -3.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6581 1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 3.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4945 -0.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 3.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0366 5.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 4.6883 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1944 4.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 3.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 -8.1332 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0911 -6.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 -7.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 -1.7262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5530 -0.7334 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7680 -0.1073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0565 1.1311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8334 -0.4742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4687 -2.0930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1003 -1.6577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8110 4.7444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1869 1.6331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3684 1.2547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1425 -2.1046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4174 -0.9217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0756 6.3525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4748 4.7801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9260 1.6331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4385 -1.1451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1869 2.6371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0565 3.1392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8043 -2.6172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6614 5.7372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3672 1.1797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4971 -0.5545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7585 7.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9092 3.9505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9315 0.2751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3810 5.9964 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4464 6.3632 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7457 4.3776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9340 0.4252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3461 2.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0334 5.9056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7374 6.8651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3449 3.0459 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3715 5.3930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4761 4.7051 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3197 -3.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4845 -3.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8947 3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9312 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6914 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0394 5.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 2.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 -4.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 3.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -4.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 3.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -5.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -6.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 -1.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 -1.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 0.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -0.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 -2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9033 4.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 1.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9867 1.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 -1.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 -0.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6395 5.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8176 5.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 1.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 3.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 3.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6216 -3.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 5.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7489 1.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8477 -1.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1541 7.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 4.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6625 -0.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9582 5.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 6.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2833 -0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9656 2.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 5.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 7.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7266 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5543 4.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0943 4.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 -3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 -3.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3935 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 -3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8589 -2.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 3.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4964 0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7782 1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 5.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 4.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1924 6.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4743 5.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2574 0.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 1.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1197 0.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 0.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 2.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9109 2.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9308 1.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 6.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 8.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5628 3.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8880 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 7.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0220 7.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1633 2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3586 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3387 3.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 1.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 -5.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8596 -4.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6115 -4.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 3.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1128 -0.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5906 3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3858 5.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 3.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 4.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -4.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 -4.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 3.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2827 -6.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 -5.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -5.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -6.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 41 2 0 0 0 0 1 42 2 0 0 0 0 1 93 1 0 0 0 0 2 43 1 0 0 0 0 2 44 2 0 0 0 0 2 45 2 0 0 0 0 2 95 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 46 1 0 0 0 0 6 56 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 53 1 0 0 0 0 8 63 1 0 0 0 0 9 52 1 0 0 0 0 9 67 1 0 0 0 0 10 56 1 0 0 0 0 10 64 1 0 0 0 0 11 60 1 0 0 0 0 11 63 1 0 0 0 0 12 58 1 0 0 0 0 12 71 1 0 0 0 0 13 55 1 0 0 0 0 13 75 1 0 0 0 0 14 59 1 0 0 0 0 14 76 1 0 0 0 0 15 67 1 0 0 0 0 15 74 1 0 0 0 0 16 71 1 0 0 0 0 16 73 1 0 0 0 0 17 76 1 0 0 0 0 17 79 1 0 0 0 0 18 75 1 0 0 0 0 18 80 1 0 0 0 0 19 48 1 0 0 0 0 19 88 1 0 0 0 0 20 47 1 0 0 0 0 20145 1 0 0 0 0 21 54 1 0 0 0 0 21146 1 0 0 0 0 22 57 1 0 0 0 0 22147 1 0 0 0 0 23 61 1 0 0 0 0 23148 1 0 0 0 0 24 62 1 0 0 0 0 24149 1 0 0 0 0 25 65 1 0 0 0 0 25152 1 0 0 0 0 26 66 1 0 0 0 0 26153 1 0 0 0 0 27 68 1 0 0 0 0 27154 1 0 0 0 0 28 69 1 0 0 0 0 28155 1 0 0 0 0 29 70 1 0 0 0 0 29156 1 0 0 0 0 30 72 1 0 0 0 0 30157 1 0 0 0 0 31 77 1 0 0 0 0 31158 1 0 0 0 0 32 78 1 0 0 0 0 32159 1 0 0 0 0 33 81 1 0 0 0 0 33 90 1 0 0 0 0 34 82 1 0 0 0 0 34162 1 0 0 0 0 35 83 1 0 0 0 0 35165 1 0 0 0 0 36 84 1 0 0 0 0 36166 1 0 0 0 0 37 85 1 0 0 0 0 37167 1 0 0 0 0 38 86 1 0 0 0 0 38168 1 0 0 0 0 39 87 1 0 0 0 0 39169 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 46 96 1 0 0 0 0 47 48 1 0 0 0 0 47 97 1 0 0 0 0 48 50 1 0 0 0 0 48 98 1 0 0 0 0 49 54 1 0 0 0 0 49 60 1 0 0 0 0 49 99 1 0 0 0 0 50100 1 0 0 0 0 51 81 1 0 0 0 0 51101 1 0 0 0 0 52 57 1 0 0 0 0 52 64 1 0 0 0 0 52102 1 0 0 0 0 53 65 1 0 0 0 0 53 73 1 0 0 0 0 53103 1 0 0 0 0 54 62 1 0 0 0 0 54104 1 0 0 0 0 55 66 1 0 0 0 0 55 74 1 0 0 0 0 55105 1 0 0 0 0 56 61 1 0 0 0 0 56106 1 0 0 0 0 57 61 1 0 0 0 0 57107 1 0 0 0 0 58 68 1 0 0 0 0 58 79 1 0 0 0 0 58108 1 0 0 0 0 59 69 1 0 0 0 0 59 80 1 0 0 0 0 59109 1 0 0 0 0 60 82 1 0 0 0 0 60110 1 0 0 0 0 61111 1 0 0 0 0 62 63 1 0 0 0 0 62112 1 0 0 0 0 63113 1 0 0 0 0 64 83 1 0 0 0 0 64114 1 0 0 0 0 65 72 1 0 0 0 0 65115 1 0 0 0 0 66 70 1 0 0 0 0 66116 1 0 0 0 0 67 70 1 0 0 0 0 67117 1 0 0 0 0 68 77 1 0 0 0 0 68118 1 0 0 0 0 69 78 1 0 0 0 0 69119 1 0 0 0 0 70120 1 0 0 0 0 71 72 1 0 0 0 0 71121 1 0 0 0 0 72122 1 0 0 0 0 73 84 1 0 0 0 0 73123 1 0 0 0 0 74 85 1 0 0 0 0 74124 1 0 0 0 0 75 78 1 0 0 0 0 75125 1 0 0 0 0 76 77 1 0 0 0 0 76126 1 0 0 0 0 77127 1 0 0 0 0 78128 1 0 0 0 0 79 86 1 0 0 0 0 79129 1 0 0 0 0 80 87 1 0 0 0 0 80130 1 0 0 0 0 81131 1 0 0 0 0 81132 1 0 0 0 0 82133 1 0 0 0 0 82134 1 0 0 0 0 83135 1 0 0 0 0 83136 1 0 0 0 0 84137 1 0 0 0 0 84138 1 0 0 0 0 85139 1 0 0 0 0 85140 1 0 0 0 0 86141 1 0 0 0 0 86142 1 0 0 0 0 87143 1 0 0 0 0 87144 1 0 0 0 0 88 89 1 0 0 0 0 88150 1 0 0 0 0 88151 1 0 0 0 0 89 91 1 0 0 0 0 89160 1 0 0 0 0 89161 1 0 0 0 0 90 92 1 0 0 0 0 90163 1 0 0 0 0 90164 1 0 0 0 0 91 93 1 0 0 0 0 91170 1 0 0 0 0 91171 1 0 0 0 0 92 94 1 0 0 0 0 92172 1 0 0 0 0 92173 1 0 0 0 0 93174 1 0 0 0 0 93175 1 0 0 0 0 94 95 1 0 0 0 0 94176 1 0 0 0 0 94177 1 0 0 0 0 95178 1 0 0 0 0 95179 1 0 0 0 0 M CHG 4 3 1 4 1 40 -1 43 -1 M END $$$$ E0WW1J -OEChem-05082103062D 36 31 0 0 0 0 0 0 0999 V2000 3.7320 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 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 5.4641 -2.5000 0.0000 O 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 5.4641 -0.5000 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 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 7.1962 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 6.3301 -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 8.0622 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 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 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 5.8626 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.9750 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 6.9407 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 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 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 24 2 0 0 0 0 13 15 1 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 19 1 0 0 0 0 14 20 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 17 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 18 32 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0WX2E -OEChem-05082103152D 16 14 0 0 0 0 0 0 0999 V2000 2.0000 -0.0600 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.4400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0X0ME -OEChem-05082103162D 55 56 0 0 0 0 0 0 0999 V2000 6.3301 2.2363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.2604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 3.7637 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 3.7363 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.8106 -0.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7363 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 3.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 2.7638 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0890 3.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 1.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7637 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.2121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7637 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4487 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3128 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1846 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 2.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 -1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9106 -2.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 -0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3104 -3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -0.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7165 -2.6100 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 23 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 27 1 0 0 0 0 5 24 1 0 0 0 0 5 46 1 0 0 0 0 12 19 1 0 0 0 0 13 19 2 0 0 0 0 14 22 1 0 0 0 0 14 44 1 0 0 0 0 14 45 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 30 1 0 0 0 0 18 31 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 34 1 0 0 0 0 32 47 1 0 0 0 0 33 35 2 0 0 0 0 33 48 1 0 0 0 0 34 36 2 0 0 0 0 34 49 1 0 0 0 0 35 36 1 0 0 0 0 35 50 1 0 0 0 0 37 39 1 0 0 0 0 37 51 1 0 0 0 0 38 40 2 0 0 0 0 38 52 1 0 0 0 0 39 41 2 0 0 0 0 39 53 1 0 0 0 0 40 41 1 0 0 0 0 40 54 1 0 0 0 0 41 55 1 0 0 0 0 M CHG 6 3 1 4 1 6 -1 9 -1 12 -1 19 1 M END $$$$ E0X1KL -OEChem-05082103152D 37 36 0 0 0 0 0 0 0999 V2000 6.6210 3.6200 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.6200 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 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.0010 6.1200 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 0.5369 2.1200 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 0.5369 1.1200 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 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 7.1200 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 2.8059 2.4300 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 2.8059 0.8100 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 3 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 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 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 9 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 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 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 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 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 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 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0X1YN -OEChem-05082103122D 103103 0 0 0 0 0 0 0999 V2000 5.4641 -5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3100 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 9.7942 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 10.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 12.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 14.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -14.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8100 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 8.0622 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3100 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 9.7942 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 11.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 11.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 13.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 14.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -10.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -11.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -12.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -12.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -11.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -10.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -12.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -12.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -9.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -9.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -14.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -13.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -9.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -9.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -13.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -14.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -5.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 5.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 5.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 7.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 6.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 6.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 7.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 8.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 8.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 10.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 9.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 11.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 11.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 11.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 11.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 12.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 13.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 14.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 14.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 15.3100 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 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 10103 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 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 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 23 1 0 0 0 0 21 63 1 0 0 0 0 22 24 2 0 0 0 0 22 64 1 0 0 0 0 23 25 2 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 26 27 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 29 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 30 31 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 32 33 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 35 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 37 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 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 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 40 41 1 0 0 0 0 40 95 1 0 0 0 0 40 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 99 1 0 0 0 0 42100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 M END $$$$ E0X2JN -OEChem-05082103092D 34 36 0 0 0 0 0 0 0999 V2000 2.5369 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 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 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 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 9 11 1 0 0 0 0 10 13 1 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 25 1 0 0 0 0 13 26 1 0 0 0 0 14 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 16 19 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 29 1 0 0 0 0 18 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 M END $$$$ E0X3GH -OEChem-05082103092D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0X3TQ -OEChem-05082103082D 36 32 0 1 0 0 0 0 0999 V2000 6.8671 -3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 Na 0 3 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 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 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 5.1350 -0.5000 0.0000 N 0 0 3 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 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 4.2690 -1.0000 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 6.8671 2.5000 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 3.4030 -0.5000 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 7.7331 2.0000 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 4.9230 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.3923 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 6.6116 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.4750 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 7.2656 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.9750 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 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 20 2 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 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 6 1 1 2 1 3 1 6 -1 8 -1 9 -1 M END $$$$ E0X5RB -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 3.0000 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0X6QO -OEChem-05082103162D 25 24 0 0 0 0 0 0 0999 V2000 2.0000 -3.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 14 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0X7PA -OEChem-05082103082D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.1482 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1482 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.2070 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -1.6999 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.1965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 2.4410 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0365 0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 10 31 1 0 0 0 0 11 31 2 0 0 0 0 12 13 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 18 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 28 2 0 0 0 0 20 31 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 5 1 6 1 8 -1 10 -1 M END $$$$ E0X8DD -OEChem-05082103122D 16 15 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 13 1 0 0 0 0 8 2 1 6 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0X8EZ -OEChem-05082103112D 9 6 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0X8PO -OEChem-05082103152D 24 23 0 0 0 0 0 0 0999 V2000 3.7320 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0X9CX -OEChem-04012201012D 146144 0 1 0 0 0 0 0999 V2000 10.6603 -7.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -5.2680 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.1244 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 -6.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1603 -7.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -7.0000 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 18.4545 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -7.0000 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 19.3205 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.0000 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 18.4545 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 5.5000 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 17.5885 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 7.0000 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 28.8468 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6665 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8439 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7099 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 5.6077 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 15.2458 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9745 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5760 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2646 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8405 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4420 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4028 -7.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0228 -6.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 7.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 9.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.5369 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 1 9 1 0 0 0 0 1 10 2 0 0 0 0 3 49 1 0 0 0 0 51 3 1 1 0 0 0 4 50 1 0 0 0 0 4 52 1 0 0 0 0 5 49 2 0 0 0 0 6 50 2 0 0 0 0 7 53 1 0 0 0 0 8 54 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 56 2 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 14139 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 30 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 29 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 34 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38 42 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39 44 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 40 43 1 0 0 0 0 40110 1 0 0 0 0 40111 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 46 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 43 47 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 44 49 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45 48 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 46 50 1 0 0 0 0 46122 1 0 0 0 0 46123 1 0 0 0 0 47124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 48127 1 0 0 0 0 48128 1 0 0 0 0 48129 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51130 1 0 0 0 0 52131 1 0 0 0 0 52132 1 0 0 0 0 53133 1 0 0 0 0 53134 1 0 0 0 0 54 55 1 0 0 0 0 54135 1 0 0 0 0 54136 1 0 0 0 0 55137 1 0 0 0 0 55138 1 0 0 0 0 57 58 1 0 0 0 0 57140 1 0 0 0 0 57141 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59144 1 0 0 0 0 59145 1 0 0 0 0 59146 1 0 0 0 0 M CHG 2 2 1 9 -1 M END $$$$ E0X9SR -OEChem-05082103132D 6 4 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0XB9Z -OEChem-05082103042D 7 6 0 0 0 0 0 0 0999 V2000 3.7320 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0XG3Z -OEChem-05082103062D 24 23 0 1 0 0 0 0 0999 V2000 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 8 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0XH6X -OEChem-05082103162D 52 29 0 0 0 0 0 0 0999 V2000 6.4347 0.0000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 9.5086 2.5000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 0.2869 1.2500 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 3.3608 2.5000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 12.5824 2.5000 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 0.2869 3.7500 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 3.3608 5.0000 0.0000 Mg 0 0 0 0 0 15 0 0 0 0 0 0 6.4347 2.5000 0.0000 Mg 0 0 0 0 0 15 0 0 0 0 0 0 0.5369 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 12.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0739 6.5600 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 4.1477 7.8100 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 13.3694 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3694 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 11.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3694 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 12.5000 0.0000 H 0 0 0 0 0 0 0 0 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 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 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 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 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 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 M CHG 1 23 -1 M END $$$$ E0XP0L -OEChem-05082103112D 42 42 0 0 0 0 0 0 0999 V2000 5.4641 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0950 0.0000 O 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 4.5981 -1.9050 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 -0.9050 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 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4050 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 6.3301 2.0950 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 5.4641 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 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 3.5200 -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 3.9441 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.7973 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 1.6900 -4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.7850 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 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 40 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 20 1 0 0 0 0 5 42 1 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 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 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 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 13 37 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 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ E0XR9O -OEChem-05082103072D 27 27 0 0 0 0 0 0 0999 V2000 3.7320 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0XV1Z -OEChem-05082103072D 57 56 0 0 0 0 0 0 0999 V2000 17.5885 0.2500 0.0000 O 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 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 8.0622 -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 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 16.7224 -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 9.3957 -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 9.3267 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 11.0588 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 7.6636 -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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 14.5229 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 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.3335 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 15.4579 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 3.2646 -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 17.1210 -0.7249 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 18.1254 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 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 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 7 31 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 12 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 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 16 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 19 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 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 M END $$$$ E0XX6I -OEChem-05082103072D 15 14 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0Y1ZX -OEChem-05082103122D 36 23 0 0 0 0 0 0 0999 V2000 12.6857 6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2216 6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.8197 6.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0876 6.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9537 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 11.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 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 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 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 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0Y4VO -OEChem-05082103052D 42 42 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 8.9282 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 7.1962 0.2500 0.0000 O 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 9.7942 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 9.7942 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 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 8.0622 -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 10.6603 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 8.0622 -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 8.9282 -1.7500 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 8.9282 -2.7500 0.0000 C 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 10.0063 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.8577 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 9.5822 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.6423 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 4.1996 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.1423 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 10.9703 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 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 9 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 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 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 12 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 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 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 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ E0Y7PW -OEChem-05082103132D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0Y7QF -OEChem-05082103072D 22 21 0 1 0 0 0 0 0999 V2000 2.5369 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9030 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E0YA3D -OEChem-05082103052D 14 13 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END $$$$ E0YN1W -OEChem-05082103152D 5 3 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0YU9J -OEChem-05082103142D 1 0 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 S 0 0 0 0 0 15 0 0 0 0 0 0 M END $$$$ E0Z0TY -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 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 8.5991 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 2 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 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 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 7.4040 0.1900 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 6.0010 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 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 4.5981 -2.8100 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 8.2700 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 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 3.4030 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 14 1 1 6 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 13 4 1 1 0 0 0 4 38 1 0 0 0 0 16 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 1 0 0 0 6 40 1 0 0 0 0 18 7 1 6 0 0 0 7 41 1 0 0 0 0 19 8 1 6 0 0 0 8 42 1 0 0 0 0 21 9 1 1 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 15 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 1 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 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 1 0 0 0 20 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 $$$$ E0Z2FF -OEChem-05082103122D 13 9 0 0 0 0 0 0 0999 V2000 3.0739 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.0739 1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0Z5QF -OEChem-05082103072D 57 56 0 0 0 0 0 0 0999 V2000 7.6962 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.5981 0.0000 O 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 6.3301 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.7321 0.0000 C 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 6.3301 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 -0.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -3.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -1.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 32 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 16 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 11 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 10 1 0 0 0 0 8 11 1 0 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 1 0 0 0 0 10 28 1 0 0 0 0 10 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 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 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 1 0 0 0 0 17 37 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 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 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 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 23 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 M END $$$$ E0Z6QA -OEChem-05082103042D 14 14 0 0 0 0 0 0 0999 V2000 3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0Z6YC -OEChem-05272104372D 16 13 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.8890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0Z8BA -OEChem-05082103162D 24 22 0 0 0 0 0 0 0999 V2000 3.7320 0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0670 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0ZB1O -OEChem-05082103152D 27 26 0 1 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ E0ZC1W -OEChem-05082103062D 17 16 0 1 0 0 0 0 0999 V2000 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 6 4 1 1 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0ZF9T -OEChem-05082103102D 13 8 0 0 0 0 0 0 0999 V2000 3.7320 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 M CHG 8 3 1 4 1 5 1 6 1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0ZI3K -OEChem-05082103142D 82 78 0 0 0 0 0 0 0999 V2000 7.2151 5.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 2.5000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 10.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 13.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 12.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 9.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 14.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7953 11.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4651 11.1350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 11.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 9.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 10.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 12.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 13.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 10.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 12.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 9.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 10.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 10.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 11.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 11.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 12.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 9.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 8.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 10.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 9.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 12.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 13.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 9.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 9.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 10.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 12.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 12.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 11.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 13.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 11.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6053 14.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 25 1 0 0 0 0 4 77 1 0 0 0 0 5 26 1 0 0 0 0 5 78 1 0 0 0 0 6 27 1 0 0 0 0 6 79 1 0 0 0 0 7 28 1 0 0 0 0 7 80 1 0 0 0 0 8 29 1 0 0 0 0 8 81 1 0 0 0 0 9 30 1 0 0 0 0 9 82 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 10 17 1 0 0 0 0 11 14 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 21 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 23 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 24 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 25 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 27 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 28 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 29 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 30 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 31 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 32 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 31 2 0 0 0 0 23 55 1 0 0 0 0 24 32 2 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 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 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 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 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 M CHG 6 1 -1 2 -1 3 -1 10 1 11 1 12 1 M END $$$$ E0ZJ1T -OEChem-05082103112D 61 60 0 0 0 0 0 0 0999 V2000 10.8681 7.3285 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.4651 12.5369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 9.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 11.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 10.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 10.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 11.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 12.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 12.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 14.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 14.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 19 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 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 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 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 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 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 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 15 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 17 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 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 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 20 22 2 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0ZJ4T -OEChem-05082103082D 50 50 0 0 0 0 0 0 0999 V2000 4.7102 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -0.6460 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 -0.6460 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 1.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 1.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 2.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 0.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 1.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 1.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5721 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5262 2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 2.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -1.7887 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 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 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 7 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 10 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 10 1 0 0 0 0 5 19 1 0 0 0 0 5 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 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 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 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 20 50 1 0 0 0 0 M END $$$$ E0ZK2L -OEChem-05082103142D 181186 0 1 0 0 0 0 0999 V2000 9.5407 4.6907 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 5.7014 -4.1235 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.7119 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6916 0.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 8.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -0.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 8.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 10.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6618 2.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 -4.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 -4.9325 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1136 -3.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -7.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -5.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 -6.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 5.0651 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 9.0066 3.7324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 6.3979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3182 3.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5434 5.0651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2782 -0.3211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 -0.9589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1015 7.6894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 5.9221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2897 10.4698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 11.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 4.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 -7.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 -8.7294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0529 4.3499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9636 4.6106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7869 3.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9636 5.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4937 2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5194 2.2057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0203 5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9538 4.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5491 3.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1368 3.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2261 3.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6763 6.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6239 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 7.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 3.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 7.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4611 7.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8149 0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6854 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 4.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 7.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4636 7.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0494 4.5780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0494 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1935 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4462 8.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 5.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 8.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1377 7.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 3.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7528 5.3064 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 5.0497 5.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 6.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2952 9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3046 9.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 4.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 -1.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7025 10.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 -2.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4924 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -5.7058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8629 -6.2058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2537 -6.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6550 -7.1840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2756 -6.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 -8.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3126 -7.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9835 -9.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 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14.5434 8.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 7.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 -1.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8219 10.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 10.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 -2.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7362 11.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7199 11.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 4.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -1.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 -2.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 -5.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 -6.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -6.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -7.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -5.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 -5.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -6.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6217 -7.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -9.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 -10.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -10.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 -11.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 -11.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 -11.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 -12.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -11.8982 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 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 49 2 0 0 0 0 4 53 2 0 0 0 0 5 64 2 0 0 0 0 6 66 2 0 0 0 0 7 73 2 0 0 0 0 8 76 2 0 0 0 0 9 77 2 0 0 0 0 78 10 1 6 0 0 0 80 11 1 1 0 0 0 14 82 1 0 0 0 0 14 83 1 0 0 0 0 81 15 1 1 0 0 0 15171 1 0 0 0 0 16 84 1 0 0 0 0 16173 1 0 0 0 0 17 31 1 0 0 0 0 17 37 1 0 0 0 0 18 33 1 0 0 0 0 18 41 2 0 0 0 0 19 50 2 0 0 0 0 19 60 1 0 0 0 0 20 49 1 0 0 0 0 20131 1 0 0 0 0 20132 1 0 0 0 0 21 54 1 0 0 0 0 21 62 2 0 0 0 0 22 53 1 0 0 0 0 22138 1 0 0 0 0 22139 1 0 0 0 0 23 66 1 0 0 0 0 23 75 1 0 0 0 0 23150 1 0 0 0 0 24 64 1 0 0 0 0 24151 1 0 0 0 0 24152 1 0 0 0 0 25 69 3 0 0 0 0 26 73 1 0 0 0 0 26155 1 0 0 0 0 26156 1 0 0 0 0 27 76 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 0 83 29 1 1 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 86 2 0 0 0 0 30 87 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 39 1 1 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 40 1 1 0 0 0 33 35 1 0 0 0 0 33 94 1 6 0 0 0 34 37 1 0 0 0 0 34 42 1 1 0 0 0 34 95 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 6 0 0 0 35 96 1 0 0 0 0 36 41 1 0 0 0 0 36 44 1 0 0 0 0 36 45 1 6 0 0 0 37 46 2 0 0 0 0 38 49 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 43 53 1 0 0 0 0 43107 1 0 0 0 0 43108 1 0 0 0 0 44 52 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 45113 1 0 0 0 0 46 50 1 0 0 0 0 46 56 1 0 0 0 0 47 54 2 0 0 0 0 47 59 1 0 0 0 0 48 64 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 50 51 1 0 0 0 0 51 55 1 0 0 0 0 51 61 1 0 0 0 0 51 63 1 1 0 0 0 52 66 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 54 57 1 0 0 0 0 55 60 1 0 0 0 0 55 65 1 1 0 0 0 55118 1 0 0 0 0 56119 1 0 0 0 0 56120 1 0 0 0 0 56121 1 0 0 0 0 57 58 1 0 0 0 0 57 68 1 1 0 0 0 57122 1 0 0 0 0 58 62 1 0 0 0 0 58 70 1 0 0 0 0 58 71 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60 67 2 0 0 0 0 61 73 1 0 0 0 0 61126 1 0 0 0 0 61127 1 0 0 0 0 62 67 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 63130 1 0 0 0 0 65 72 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 67135 1 0 0 0 0 68 74 1 0 0 0 0 68136 1 0 0 0 0 68137 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 72 76 1 0 0 0 0 72146 1 0 0 0 0 72147 1 0 0 0 0 74 77 1 0 0 0 0 74148 1 0 0 0 0 74149 1 0 0 0 0 75 78 1 0 0 0 0 75153 1 0 0 0 0 75154 1 0 0 0 0 78 79 1 0 0 0 0 78157 1 0 0 0 0 79162 1 0 0 0 0 79163 1 0 0 0 0 79164 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 80165 1 0 0 0 0 81 83 1 0 0 0 0 81166 1 0 0 0 0 82 84 1 6 0 0 0 82167 1 0 0 0 0 83168 1 0 0 0 0 84169 1 0 0 0 0 84170 1 0 0 0 0 85 87 2 0 0 0 0 85 88 1 0 0 0 0 86172 1 0 0 0 0 87 89 1 0 0 0 0 88 90 2 0 0 0 0 88174 1 0 0 0 0 89 91 2 0 0 0 0 89175 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 91 93 1 0 0 0 0 92176 1 0 0 0 0 92177 1 0 0 0 0 92178 1 0 0 0 0 93179 1 0 0 0 0 93180 1 0 0 0 0 93181 1 0 0 0 0 M CHG 4 1 3 12 -1 17 -1 69 -1 M END $$$$ E0ZV3M -OEChem-05082103162D 22 21 0 0 0 0 0 0 0999 V2000 2.0000 -3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0ZW5O -OEChem-05082103052D 15 14 0 0 0 0 0 0 0999 V2000 7.1962 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E00ARE -OEChem-05082103092D 54 54 0 0 0 0 0 0 0999 V2000 7.1962 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0950 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 9.7942 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5950 0.0000 O 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 -3.4050 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 3.7320 -3.9050 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 3.7320 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4050 0.0000 C 0 0 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 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4050 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 2.0000 -6.9050 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 8.0622 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.2973 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 6.0747 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.0127 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 4.8535 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -7.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 6.9050 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 18 2 0 0 0 0 3 22 1 0 0 0 0 3 52 1 0 0 0 0 4 23 1 0 0 0 0 4 53 1 0 0 0 0 5 24 1 0 0 0 0 5 54 1 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 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 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 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 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 17 49 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 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 M END $$$$ E00DHW -OEChem-05082103122D 48 48 0 1 0 0 0 0 0999 V2000 4.8671 3.3100 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 4.0010 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.3100 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 3.1350 0.3100 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 6.5991 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8100 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 3.5680 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 2.8100 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 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 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 2 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 5.7331 5.8100 0.0000 C 0 0 2 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 3.1350 4.3100 0.0000 C 0 0 0 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 5.4040 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.1900 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 3.4641 5.1200 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 2.2690 1.1900 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 6.2700 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.8350 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 7.1360 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.6900 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 1.4030 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4300 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 4.1050 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 14 1 1 1 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 15 4 1 1 0 0 0 4 39 1 0 0 0 0 16 5 1 6 0 0 0 5 40 1 0 0 0 0 18 6 1 1 0 0 0 6 41 1 0 0 0 0 19 7 1 1 0 0 0 7 42 1 0 0 0 0 21 8 1 6 0 0 0 8 43 1 0 0 0 0 22 9 1 6 0 0 0 9 44 1 0 0 0 0 10 23 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 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 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 15 21 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 17 23 1 1 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 20 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 1 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$ E00DYA -OEChem-05082103102D 77 76 0 0 0 0 0 0 0999 V2000 7.1962 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 N 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 14.1244 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.1900 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 18.4545 0.6900 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 19.3205 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 20.1865 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 21.0526 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 4.5981 0.6900 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 21.9186 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 3.7320 -0.8100 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 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2849 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 22.2286 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 1.2269 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 3.9441 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.7023 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 2.5560 -0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 3 64 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 23 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 65 1 0 0 0 0 23 66 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 24 69 1 0 0 0 0 25 27 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 26 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 M END $$$$ E00EFL -OEChem-05082103162D 12 8 0 0 0 0 0 0 0999 V2000 5.4641 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 2.0000 0.0950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E00FOE -OEChem-05082103142D 43 30 0 0 0 0 0 0 0999 V2000 7.8798 5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.3439 5.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.6118 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 5.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4779 5.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1477 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0759 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 11.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6129 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 10.4779 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 7.0138 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 6.5000 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1498 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1498 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0759 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 24 1 0 0 0 0 10 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 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 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 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 42 1 0 0 0 0 19 43 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 7 -1 M END $$$$ E00HIM -OEChem-05082103122D 55 55 0 0 0 0 0 0 0999 V2000 3.0000 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7500 0.0000 O 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 5.5981 1.7500 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 5.5981 0.7500 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 4.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.7500 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 8.1962 5.2500 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 8.1962 6.2500 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 9.0622 6.7500 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 2.1340 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -6.2500 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 3.0000 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2520 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8535 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1181 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7196 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4082 4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8067 5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 6.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5856 6.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -7.3700 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 18 1 0 0 0 0 2 16 1 0 0 0 0 5 6 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 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 16 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 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 48 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 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 2 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 23 55 1 0 0 0 0 M END $$$$ E00MAM -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E00ONP -OEChem-05082103072D 23 22 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M END $$$$ E00PPG -OEChem-05082103102D 61 60 0 0 0 0 0 0 0999 V2000 10.0851 6.6200 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.1350 5.6200 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 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.8671 7.6200 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 1.4030 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.1200 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 2.2690 1.1200 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 7.4651 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 8.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 9.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 10.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.7277 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 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 12.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 11.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 11.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 12.2277 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 2.8059 0.8100 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 8.0851 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8451 13.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 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 12 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 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 8 37 1 0 0 0 0 9 10 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 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 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 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 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 20 1 0 0 0 0 16 50 1 0 0 0 0 17 21 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 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 M CHG 2 1 -1 2 1 M END $$$$ E00PSA -OEChem-05082103142D 65 64 0 1 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 O 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 9.7942 -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 4.5981 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 10.6603 -2.2500 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 4.5981 -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 11.5263 -2.7500 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 5.4641 -1.2500 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 6.3301 -2.7500 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 12.3923 -2.2500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 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 3.9441 2.3326 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 2.3100 4.2869 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 1.6900 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 64 1 0 0 0 0 4 25 1 0 0 0 0 4 65 1 0 0 0 0 5 8 1 0 0 0 0 5 9 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 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 11 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 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 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 20 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 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 2 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 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 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 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 M END $$$$ E00QLA -OEChem-05082103112D 79 82 0 1 0 0 0 0 0999 V2000 6.8671 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 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 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 11.1972 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -4.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -4.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -4.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.7500 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 6.0010 -1.2500 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 7.7331 -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 6.8671 1.2500 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 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 8.5991 4.2500 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 9.4651 4.7500 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 10.3312 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.2500 0.0000 C 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 -5.0600 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 7.1962 -3.9400 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 6.0010 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.1300 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 8.2700 -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 7.9451 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 6 0 0 0 19 1 1 6 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 17 4 1 1 0 0 0 4 59 1 0 0 0 0 21 5 1 1 0 0 0 5 28 1 0 0 0 0 18 6 1 6 0 0 0 6 60 1 0 0 0 0 20 7 1 1 0 0 0 7 61 1 0 0 0 0 23 8 1 1 0 0 0 8 62 1 0 0 0 0 24 9 1 6 0 0 0 9 63 1 0 0 0 0 10 26 1 0 0 0 0 10 64 1 0 0 0 0 11 31 1 0 0 0 0 11 69 1 0 0 0 0 12 32 1 0 0 0 0 12 70 1 0 0 0 0 13 34 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 76 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 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 20 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 21 49 1 0 0 0 0 22 26 1 1 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 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 1 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 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 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 65 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 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 71 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 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 41 42 1 0 0 0 0 41 75 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END $$$$ E00RBN -OEChem-05082103162D 108104 0 1 0 0 0 0 0999 V2000 13.5273 3.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.9292 6.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.9292 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 11.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 2.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 4.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0273 9.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0273 10.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.7953 7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9292 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0000 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 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6613 9.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7953 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 9.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 10.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 8.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 9.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8733 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2719 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8733 7.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2719 8.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 43 1 0 0 0 0 2 10 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 44 1 0 0 0 0 5 39 1 0 0 0 0 5 45 1 0 0 0 0 6 40 1 0 0 0 0 6 46 1 0 0 0 0 7 45 2 0 0 0 0 8 46 2 0 0 0 0 9107 1 0 0 0 0 10108 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 17 49 2 0 0 0 0 18 50 2 0 0 0 0 19 21 1 0 0 0 0 19 23 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 24 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 21 55 1 0 0 0 0 21 56 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 27 1 0 0 0 0 23 59 1 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 24 62 1 0 0 0 0 25 29 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 26 66 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 32 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 75 1 0 0 0 0 31 76 1 0 0 0 0 32 36 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 37 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 38 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 39 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 40 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 41 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 42 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 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43 45 1 0 0 0 0 43 47 1 0 0 0 0 43101 1 0 0 0 0 44 46 1 0 0 0 0 44 48 1 0 0 0 0 44102 1 0 0 0 0 47 49 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 48 50 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 M CHG 4 3 1 4 1 15 -1 16 -1 M END $$$$ E00RDQ -OEChem-05082103162D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 4 2 2 3 -2 4 -2 5 -2 M END $$$$ E00SKG -OEChem-05082103132D 55 54 0 1 0 0 0 0 0999 V2000 7.1962 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 O 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 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 2 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 10.6603 -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 10.6603 -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 3.7320 -3.2500 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 9.7942 -1.7500 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 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -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 12.3923 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 13.2583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.8577 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 8.9282 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -4.5600 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 1.4631 -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 13.7953 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 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 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 14 1 0 0 0 0 10 33 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 16 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 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 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 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END $$$$ E00WFP -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E00WOC -OEChem-05082103142D 52 51 0 0 0 0 0 0 0999 V2000 2.5369 -2.2500 0.0000 O 0 0 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 6.8671 -2.7500 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 6.0010 -2.2500 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 5.1350 -2.7500 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 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 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 11.1972 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2500 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 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.3577 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 12.6002 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 52 1 0 0 0 0 2 18 2 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 3 22 1 0 0 0 0 4 6 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 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 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 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 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 37 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 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 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 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 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 M END $$$$ E00XLR -OEChem-05082103162D 67 67 0 1 0 0 0 0 0999 V2000 5.0868 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -6.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9529 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 8.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -6.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -1.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 7.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 7.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -5.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -4.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6351 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 9.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3951 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -3.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 22 3 1 1 0 0 0 3 65 1 0 0 0 0 4 24 2 0 0 0 0 5 27 1 0 0 0 0 5 66 1 0 0 0 0 6 28 1 0 0 0 0 6 67 1 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 26 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 58 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 6 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 2 0 0 0 0 28 29 1 0 0 0 0 M END $$$$ E00XNE -OEChem-05082103052D 28 29 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ E00YNX -OEChem-05082103132D 11 9 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E00YPI -OEChem-05082103072D 71 70 0 0 0 0 0 0 0999 V2000 6.0010 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.6550 0.0000 C 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 16.3933 1.1550 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 17.2594 0.6550 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 18.1254 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.6550 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 19.8574 1.1550 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 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.6550 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 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 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 1 21 2 0 0 0 0 2 25 1 0 0 0 0 2 70 1 0 0 0 0 3 26 1 0 0 0 0 3 71 1 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 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 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 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 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 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 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 18 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 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 24 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 22 25 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 26 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 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 M END $$$$ E00ZXG -OEChem-05082103112D 68 67 0 0 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 6.3301 -0.7500 0.0000 O 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 14.9904 0.2500 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 15.8564 0.7500 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 16.7224 0.2500 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 17.5885 0.7500 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 18.4545 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 19.3205 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 20.1865 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 21.0526 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 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 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 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3626 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 1.2869 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 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 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 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 20 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 7 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 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 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 21 22 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 M END $$$$ E01EBV -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E01EGO -OEChem-04012200552D 88 90 0 1 0 0 0 0 0999 V2000 5.6335 -2.7620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 4.8060 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 -1.0465 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -4.0888 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.9904 -1.6389 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.4843 -5.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4598 -3.7468 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6487 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 5.7457 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 5.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 4.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 -1.8126 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.1288 -0.4037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 -1.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 1.5682 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7656 -0.8014 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8263 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 -0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -2.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 2.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 -0.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 -1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -2.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 2.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 -2.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7352 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 3.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -3.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -4.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4192 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 1.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 0.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 0.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 3.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 2.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -1.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8069 -1.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -1.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 0.3174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 -2.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9454 -0.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 1.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 0.3736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8373 -2.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -2.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 2.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 3.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4837 -2.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.0898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 -2.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 3.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 -1.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 1.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -4.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 1.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -4.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 2.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6726 0.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -5.7457 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 38 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 47 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 3 15 2 0 0 0 0 3 49 1 0 0 0 0 6 50 1 0 0 0 0 6 88 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 17 22 2 0 0 0 0 17 24 1 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 25 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 2 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 55 1 0 0 0 0 23 56 1 0 0 0 0 24 37 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 38 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 41 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 32 1 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 64 1 0 0 0 0 30 34 2 0 0 0 0 30 65 1 0 0 0 0 31 35 2 0 0 0 0 31 66 1 0 0 0 0 32 67 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 36 42 2 0 0 0 0 36 45 1 0 0 0 0 37 43 2 0 0 0 0 37 46 1 0 0 0 0 38 44 1 0 0 0 0 39 48 2 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 42 47 1 0 0 0 0 42 78 1 0 0 0 0 43 49 1 0 0 0 0 43 79 1 0 0 0 0 44 50 2 0 0 0 0 44 81 1 0 0 0 0 45 51 2 0 0 0 0 45 80 1 0 0 0 0 46 52 2 0 0 0 0 46 82 1 0 0 0 0 47 53 2 0 0 0 0 48 50 1 0 0 0 0 48 83 1 0 0 0 0 49 54 2 0 0 0 0 51 53 1 0 0 0 0 51 84 1 0 0 0 0 52 54 1 0 0 0 0 52 85 1 0 0 0 0 53 86 1 0 0 0 0 54 87 1 0 0 0 0 M CHG 6 4 1 5 1 7 -1 10 -1 13 -1 17 1 M END $$$$ E01ITR -OEChem-05082103082D 37 33 0 1 0 0 0 0 0999 V2000 2.0000 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 5 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 8.0622 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 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 3 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 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 5.4641 -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 6.3301 3.0000 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 5.4641 -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 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.8923 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 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 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 6.7287 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 19 1 0 0 0 0 4 37 1 0 0 0 0 5 20 1 0 0 0 0 6 20 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 13 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 17 1 0 0 0 0 12 18 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 25 1 0 0 0 0 14 26 1 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 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 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 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E01IZK -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E01JGW -OEChem-05082103052D 50 49 0 0 0 0 0 0 0999 V2000 9.4651 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5950 0.0000 N 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 6.8671 0.0950 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 7.7331 0.5950 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 3.4030 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0950 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 3.4030 0.0950 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 9.4651 1.5950 0.0000 C 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 5.6025 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 0.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 0.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 2.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0250 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 2.8660 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.7850 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 1 23 1 0 0 0 0 1 46 1 0 0 0 0 2 23 2 0 0 0 0 3 24 1 0 0 0 0 3 47 1 0 0 0 0 4 25 1 0 0 0 0 4 48 1 0 0 0 0 5 26 1 0 0 0 0 5 49 1 0 0 0 0 6 27 1 0 0 0 0 6 50 1 0 0 0 0 7 24 2 0 0 0 0 8 25 2 0 0 0 0 9 26 2 0 0 0 0 10 27 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 13 22 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 17 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 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 24 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 26 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 22 45 1 0 0 0 0 M END $$$$ E01LXK -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1509 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 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 12 2 1 6 0 0 0 16 2 1 6 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 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 6 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 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E01MLR -OEChem-05082103082D 13 13 0 0 0 0 0 0 0999 V2000 4.5691 -0.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.3805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 M END $$$$ E01OUP -OEChem-05082103112D 46 46 0 0 0 0 0 0 0999 V2000 4.5981 -3.4441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 4.0867 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9441 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 4.5834 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4976 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 4.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4811 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 21 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 19 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 26 1 0 0 0 0 6 43 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 27 2 0 0 0 0 20 31 1 0 0 0 0 21 29 2 0 0 0 0 22 25 2 0 0 0 0 22 34 1 0 0 0 0 23 30 2 0 0 0 0 23 35 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 36 1 0 0 0 0 26 30 1 0 0 0 0 27 37 1 0 0 0 0 28 29 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 31 42 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E01PMC -OEChem-05082103142D 15 12 0 0 0 0 0 0 0999 V2000 3.9399 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4399 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.4030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9399 4.2690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0739 2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 4.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 3.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 4 2 -1 3 -1 6 1 7 1 M END $$$$ E01RHD -OEChem-05082103132D 191190 0 0 0 0 0 0 0999 V2000 54.4985 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.9004 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.3023 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.7042 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.1062 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5081 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7139 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5177 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -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 7.7331 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 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 61.4267 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.2927 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.5606 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.1587 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.6946 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.0247 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.8286 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 64.8908 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.9626 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.7568 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.0965 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 66.6228 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.2305 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.4888 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.3645 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.3549 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.6324 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7664 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.0344 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.1683 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.4363 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.5703 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8382 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9722 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.2401 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3741 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6421 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -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 0.2500 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 16.3933 -0.2500 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 13.7953 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 11.1972 -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 8.5991 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 6.0010 -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 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.0281 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.8252 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.6912 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.8942 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.9592 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.1621 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.7602 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.5572 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.2961 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.0931 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4233 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.6262 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.2271 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.4301 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.4922 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.2893 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.5640 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.3611 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.1553 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.3583 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.4951 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.6980 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.2243 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0213 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.8320 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.6290 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.8874 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.0903 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.7630 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.9660 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.0449 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.8918 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.6649 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.0310 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.2339 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.3679 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.1649 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.6358 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.4329 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.5669 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.7698 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.8348 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.0378 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.1717 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.9688 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.4397 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.2367 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.3707 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.5737 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.6387 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.8416 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.9756 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.7726 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.2435 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.0406 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1746 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3775 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4425 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6454 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7794 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5765 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0474 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.8444 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9784 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1813 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2464 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4493 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5833 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3803 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8512 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6483 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7823 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9852 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0502 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2531 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3871 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1842 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6551 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4521 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5861 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7890 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -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 15.0598 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -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 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 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 5.6025 -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 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 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 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 1 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 61 1 0 0 0 0 13 62 1 0 0 0 0 14 63 1 0 0 0 0 14 64 1 0 0 0 0 15 65 1 0 0 0 0 15 66 1 0 0 0 0 16 67 1 0 0 0 0 16 68 1 0 0 0 0 17 69 1 0 0 0 0 17 70 1 0 0 0 0 18 71 1 0 0 0 0 18 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 0 0 0 0 20 76 1 0 0 0 0 21 77 1 0 0 0 0 21191 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 25 1 0 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 24 26 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 84 1 0 0 0 0 25 85 1 0 0 0 0 26 28 1 0 0 0 0 26 86 1 0 0 0 0 26 87 1 0 0 0 0 27 29 1 0 0 0 0 27 88 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 28 91 1 0 0 0 0 29 31 1 0 0 0 0 29 92 1 0 0 0 0 29 93 1 0 0 0 0 30 32 1 0 0 0 0 30 94 1 0 0 0 0 30 95 1 0 0 0 0 31 33 1 0 0 0 0 31 96 1 0 0 0 0 31 97 1 0 0 0 0 32 34 1 0 0 0 0 32 98 1 0 0 0 0 32 99 1 0 0 0 0 33 35 1 0 0 0 0 33100 1 0 0 0 0 33101 1 0 0 0 0 34 36 1 0 0 0 0 34102 1 0 0 0 0 34103 1 0 0 0 0 35 37 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 37108 1 0 0 0 0 37109 1 0 0 0 0 37110 1 0 0 0 0 38 39 1 0 0 0 0 38111 1 0 0 0 0 38112 1 0 0 0 0 39113 1 0 0 0 0 39114 1 0 0 0 0 40 41 1 0 0 0 0 40115 1 0 0 0 0 40116 1 0 0 0 0 41117 1 0 0 0 0 41118 1 0 0 0 0 42 43 1 0 0 0 0 42119 1 0 0 0 0 42120 1 0 0 0 0 43121 1 0 0 0 0 43122 1 0 0 0 0 44 45 1 0 0 0 0 44123 1 0 0 0 0 44124 1 0 0 0 0 45125 1 0 0 0 0 45126 1 0 0 0 0 46 47 1 0 0 0 0 46127 1 0 0 0 0 46128 1 0 0 0 0 47129 1 0 0 0 0 47130 1 0 0 0 0 48 49 1 0 0 0 0 48131 1 0 0 0 0 48132 1 0 0 0 0 49133 1 0 0 0 0 49134 1 0 0 0 0 50 51 1 0 0 0 0 50135 1 0 0 0 0 50136 1 0 0 0 0 51137 1 0 0 0 0 51138 1 0 0 0 0 52 53 1 0 0 0 0 52139 1 0 0 0 0 52140 1 0 0 0 0 53141 1 0 0 0 0 53142 1 0 0 0 0 54 55 1 0 0 0 0 54143 1 0 0 0 0 54144 1 0 0 0 0 55145 1 0 0 0 0 55146 1 0 0 0 0 56 57 1 0 0 0 0 56147 1 0 0 0 0 56148 1 0 0 0 0 57149 1 0 0 0 0 57150 1 0 0 0 0 58 59 1 0 0 0 0 58151 1 0 0 0 0 58152 1 0 0 0 0 59153 1 0 0 0 0 59154 1 0 0 0 0 60 61 1 0 0 0 0 60155 1 0 0 0 0 60156 1 0 0 0 0 61157 1 0 0 0 0 61158 1 0 0 0 0 62 63 1 0 0 0 0 62159 1 0 0 0 0 62160 1 0 0 0 0 63161 1 0 0 0 0 63162 1 0 0 0 0 64 65 1 0 0 0 0 64163 1 0 0 0 0 64164 1 0 0 0 0 65165 1 0 0 0 0 65166 1 0 0 0 0 66 67 1 0 0 0 0 66167 1 0 0 0 0 66168 1 0 0 0 0 67169 1 0 0 0 0 67170 1 0 0 0 0 68 69 1 0 0 0 0 68171 1 0 0 0 0 68172 1 0 0 0 0 69173 1 0 0 0 0 69174 1 0 0 0 0 70 71 1 0 0 0 0 70175 1 0 0 0 0 70176 1 0 0 0 0 71177 1 0 0 0 0 71178 1 0 0 0 0 72 73 1 0 0 0 0 72179 1 0 0 0 0 72180 1 0 0 0 0 73181 1 0 0 0 0 73182 1 0 0 0 0 74 75 1 0 0 0 0 74183 1 0 0 0 0 74184 1 0 0 0 0 75185 1 0 0 0 0 75186 1 0 0 0 0 76 77 1 0 0 0 0 76187 1 0 0 0 0 76188 1 0 0 0 0 77189 1 0 0 0 0 77190 1 0 0 0 0 M END $$$$ E01RKB -OEChem-05082103142D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 3 2 3 3 -2 4 -2 5 -2 M END $$$$ E01SSA -OEChem-05082103152D 19 18 0 0 0 0 0 0 0999 V2000 2.0000 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E01TKQ -OEChem-05082103142D 24 23 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END $$$$ E01ULA -OEChem-05082103142D 106105 0 0 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -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 8.9282 -2.2500 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 23.6506 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 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 0.2500 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 15.8564 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 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 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -2.2500 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 22.7846 -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 25.3827 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 -1.2500 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 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 6.3301 -2.7500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 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 18.0560 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4386 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0401 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7287 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1272 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8627 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2612 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3046 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9061 1.6423 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 3.9441 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5726 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1740 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5947 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9933 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1706 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7721 3.1423 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 26.5587 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9387 4.2869 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 1.4631 4.0600 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 29 1 0 0 0 0 1 36 1 0 0 0 0 2 36 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 7 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 16 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 21 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 49 1 0 0 0 0 8 50 1 0 0 0 0 9 15 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 22 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 17 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 18 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 19 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 20 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 24 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 29 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 23 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 25 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 26 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 27 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 30 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 28 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 31 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 34 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 32 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 33 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 87 1 0 0 0 0 27 88 1 0 0 0 0 28 36 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 30 31 2 0 0 0 0 30 93 1 0 0 0 0 31 94 1 0 0 0 0 32 37 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 38 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 2 0 0 0 0 34 99 1 0 0 0 0 35100 1 0 0 0 0 37101 1 0 0 0 0 37102 1 0 0 0 0 37103 1 0 0 0 0 38104 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 M END $$$$ E01UTP -OEChem-05082103082D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E01VDF -OEChem-05082103042D 15 14 0 0 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E01VHX -OEChem-05082103132D 34 37 0 0 0 0 0 0 0999 V2000 11.2558 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 7.7115 0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 -1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6577 -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 7.1279 0.0000 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 8.6577 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 7.7115 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 -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 9.5238 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 10.3898 -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 10.3898 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 9.5238 -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 9.5238 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9267 -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 8.9038 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1438 -2.0000 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 3.7320 2.6200 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 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 8 16 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 11 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$ E01VZR -OEChem-05082103162D 39 38 0 1 0 0 0 0 0999 V2000 4.0400 0.1503 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.9416 -2.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8691 -4.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 4.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 3.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -5.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 5.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4522 -0.6587 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6333 1.0638 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5802 -1.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8088 1.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 -3.1814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7210 3.4117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8202 -4.1596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7210 4.4117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3590 -2.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 2.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5633 -4.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5871 4.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 -1.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6886 -3.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4784 3.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3594 -3.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 5.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -5.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -4.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 4.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1976 5.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 -5.0750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 5.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 2.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1240 6.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8162 -6.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 16 4 1 6 0 0 0 4 34 1 0 0 0 0 17 5 1 1 0 0 0 5 35 1 0 0 0 0 6 18 1 0 0 0 0 6 36 1 0 0 0 0 7 19 1 0 0 0 0 7 37 1 0 0 0 0 8 20 1 0 0 0 0 8 39 1 0 0 0 0 9 21 1 0 0 0 0 9 38 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 2 0 0 0 0 13 25 2 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 1 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 6 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 30 1 0 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 24 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 3 1 2 10 -1 11 -1 M END $$$$ E01YXN -OEChem-05082103122D 23 23 0 1 0 0 0 0 0999 V2000 2.8660 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E01ZRI -OEChem-05082103072D 20 19 0 0 0 0 0 0 0999 V2000 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E02ABP -OEChem-05082103142D 64 65 0 0 0 0 0 0 0999 V2000 18.4545 0.3450 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8450 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 14.9904 2.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 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 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 C 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 12.3923 1.8450 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 14.1244 1.8450 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 15.8564 1.8450 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 16.7224 2.3450 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 15.8564 0.8450 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 17.5885 1.8450 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 16.7224 0.3450 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 17.5885 0.8450 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 8.5297 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5350 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 4.0611 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.9650 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 16.7224 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 0.5350 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 18.1254 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.5350 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 4.5981 -0.2750 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 17 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 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 20 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 11 21 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 22 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 14 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 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 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 45 1 0 0 0 0 18 46 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 29 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 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ E02AQT -OEChem-05082103122D 17 17 0 1 0 0 0 0 0999 V2000 5.3122 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.1681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9019 0.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E02AWG -OEChem-05082103132D 24 24 0 1 0 0 0 0 0999 V2000 5.1350 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.9795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -1.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 9 4 1 6 0 0 0 4 22 1 0 0 0 0 10 5 1 6 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02FBG -OEChem-05082103092D 9 6 0 0 0 0 0 0 0999 V2000 4.5981 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 M END $$$$ E02GAH -OEChem-05082103122D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 6 0 0 0 4 22 1 0 0 0 0 11 5 1 1 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02GBG -OEChem-05082103052D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E02IKB -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E02OPF -OEChem-05082103102D 5 3 0 0 0 0 0 0 0999 V2000 0.6160 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 4 1 1 2 -1 3 -1 5 1 M END $$$$ E02QDK -OEChem-05272104372D 41 41 0 0 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.7742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.5923 1.7808 0.0000 Na 0 3 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 3.7320 2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0981 2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 2.2775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3636 0.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 2.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0785 -1.2846 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 -1.2500 0.0000 N 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 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.2847 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 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2708 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 8.9962 0.2292 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 -1.2500 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 -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 -2.7500 0.0000 C 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 8.0829 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6118 -1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -1.5884 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 2.8660 -0.6300 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 -1.4400 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 1.4631 -3.0600 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 19 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 22 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 12 17 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 23 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 24 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 24 33 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 37 1 0 0 0 0 27 29 2 0 0 0 0 27 38 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 29 40 1 0 0 0 0 30 41 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E02SIO -OEChem-05082103122D 10 7 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E02UFT -OEChem-05082103132D 11 8 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 4.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E02WLG -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END $$$$ E02WXM -OEChem-05082103122D 16 13 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 12 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E02WYE -OEChem-05082103072D 41 40 0 0 0 0 0 0 0999 V2000 2.8660 0.7500 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 8.9282 0.2500 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 9.7942 0.7500 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 10.6603 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 11.5263 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 12.3923 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 13.2583 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 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 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 14 2 0 0 0 0 3 4 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 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 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 11 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 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 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 13 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 M END $$$$ E02ZNX -OEChem-05082103162D 17 15 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ E02ZQY -OEChem-05082103062D 44 43 0 0 0 0 0 0 0999 V2000 6.8301 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 0.8330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 1.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4330 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 6.3301 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 1.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 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 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 15 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 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 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 18 32 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 36 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 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 M END $$$$ E02ZUV -OEChem-05082103132D 98100 0 1 0 0 0 0 0999 V2000 13.4662 6.5600 0.0000 Na 0 3 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 4.8671 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 7.3100 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 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.3100 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 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 7.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 7.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5991 7.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4651 10.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 8.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8671 8.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 10.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 10.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 2 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 1.4030 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 11.8100 0.0000 C 0 0 1 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 1.4030 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 9.3100 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 1.4030 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3100 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 0.5369 6.3100 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 3.1350 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 11.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 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 2.2690 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 4.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 4.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 6.0000 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 8.0021 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.6900 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 0.8469 6.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 13.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 9.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 10.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2392 10.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29 2 1 6 0 0 0 31 2 1 6 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 27 4 1 6 0 0 0 40 4 1 6 0 0 0 35 5 1 1 0 0 0 36 5 1 1 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 41 1 0 0 0 0 7 43 1 0 0 0 0 30 8 1 1 0 0 0 8 78 1 0 0 0 0 9 40 1 0 0 0 0 9 47 1 0 0 0 0 33 10 1 1 0 0 0 10 80 1 0 0 0 0 34 11 1 6 0 0 0 11 83 1 0 0 0 0 39 12 1 6 0 0 0 12 84 1 0 0 0 0 42 13 1 1 0 0 0 13 85 1 0 0 0 0 43 14 1 1 0 0 0 14 86 1 0 0 0 0 15 44 1 0 0 0 0 15 87 1 0 0 0 0 45 16 1 6 0 0 0 16 88 1 0 0 0 0 46 17 1 1 0 0 0 17 89 1 0 0 0 0 18 48 1 0 0 0 0 18 93 1 0 0 0 0 19 49 1 0 0 0 0 19 94 1 0 0 0 0 20 48 2 0 0 0 0 21 50 2 0 0 0 0 22 51 1 0 0 0 0 22 98 1 0 0 0 0 23 51 2 0 0 0 0 24 52 2 0 0 0 0 28 25 1 1 0 0 0 25 50 1 0 0 0 0 25 70 1 0 0 0 0 38 26 1 6 0 0 0 26 52 1 0 0 0 0 26 79 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 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 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 37 1 0 0 0 0 31 59 1 0 0 0 0 32 44 1 6 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 36 1 0 0 0 0 34 62 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 48 1 1 0 0 0 37 65 1 0 0 0 0 38 43 1 0 0 0 0 38 66 1 0 0 0 0 39 41 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 49 1 1 0 0 0 41 69 1 0 0 0 0 42 45 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 44 73 1 0 0 0 0 44 74 1 0 0 0 0 45 46 1 0 0 0 0 45 75 1 0 0 0 0 46 47 1 0 0 0 0 46 76 1 0 0 0 0 47 51 1 6 0 0 0 47 77 1 0 0 0 0 49 81 1 0 0 0 0 49 82 1 0 0 0 0 50 53 1 0 0 0 0 52 54 1 0 0 0 0 53 90 1 0 0 0 0 53 91 1 0 0 0 0 53 92 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 CHG 1 1 1 M END $$$$ E03BDU -OEChem-05082103072D 18 17 0 0 0 0 0 0 0999 V2000 2.5369 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E03EMX -OEChem-05082103162D 109108 0 1 0 0 0 0 0999 V2000 8.6228 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8828 5.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 6.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8907 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3170 4.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1548 6.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2926 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 10.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 14.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9318 5.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1228 5.8488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3138 5.2611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7567 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7567 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8907 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5738 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0247 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3627 5.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 10.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3702 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6752 6.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8753 4.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7567 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2828 3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 3.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7431 5.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 4.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0117 6.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6597 7.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6228 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3538 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9066 4.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1587 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 6.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 9.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 11.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 10.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 10.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 11.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 15.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 15.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 14.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 14.3858 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 16 2 1 6 0 0 0 20 2 1 6 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 17 4 1 6 0 0 0 4 60 1 0 0 0 0 18 5 1 1 0 0 0 5 61 1 0 0 0 0 21 6 1 6 0 0 0 6 64 1 0 0 0 0 22 7 1 1 0 0 0 7 65 1 0 0 0 0 8 23 1 0 0 0 0 8 66 1 0 0 0 0 24 9 1 6 0 0 0 9 67 1 0 0 0 0 10 26 1 0 0 0 0 10 68 1 0 0 0 0 11 27 1 0 0 0 0 11 69 1 0 0 0 0 12 45 1 0 0 0 0 12105 1 0 0 0 0 13 45 2 0 0 0 0 14 47 1 0 0 0 0 14109 1 0 0 0 0 15 47 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 26 1 6 0 0 0 19 50 1 0 0 0 0 20 21 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 22 24 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 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 1 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 32 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 0 0 0 0 31 77 1 0 0 0 0 32 34 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 35 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 36 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 37 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 39 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 90 1 0 0 0 0 38 91 1 0 0 0 0 39 41 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 94 1 0 0 0 0 40 95 1 0 0 0 0 41 43 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 44 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43 45 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 46 47 1 0 0 0 0 46106 1 0 0 0 0 46107 1 0 0 0 0 46108 1 0 0 0 0 M END $$$$ E03FDH -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 M END $$$$ E03GBZ -OEChem-05082103072D 24 23 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E03GMQ -OEChem-05082103062D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E03GSO -OEChem-05082103132D 23 23 0 0 0 0 0 0 0999 V2000 2.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E03JEM -OEChem-05082103162D 16 15 0 0 0 0 0 0 0999 V2000 2.5369 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E03JHL -OEChem-05082103042D 20 19 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END $$$$ E03JRW -OEChem-05082103142D 176176 0 1 0 0 0 0 0999 V2000 17.6760 -7.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1069 -6.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7330 -5.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7792 -8.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0009 -4.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5716 -8.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -3.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -4.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -6.5026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0579 -7.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3670 -8.0414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8670 -5.5026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3670 -8.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0009 -5.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3637 -7.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4127 -7.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7330 -4.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6695 -7.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5990 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7185 -7.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5990 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 -3.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 -8.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 -2.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4650 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -2.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0243 -7.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 -1.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3311 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2811 -8.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 -0.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3311 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 0.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -8.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 0.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5869 -8.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1971 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 -7.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -8.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 -7.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7952 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9291 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6612 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 -6.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0631 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5272 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 5.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 4.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -5.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4029 6.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 3.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3932 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6708 3.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 6.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -4.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2593 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2689 7.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -3.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1253 1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 8.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9913 2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 9.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4194 -6.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6195 -7.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7546 -7.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 -4.8826 0.0000 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 3.6983 -6.0292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -6.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 2.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0631 3.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9257 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1287 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6149 4.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0134 5.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3248 5.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9262 4.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7296 -5.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -4.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1908 7.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7923 6.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 3.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1474 4.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9947 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7918 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4809 6.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8795 7.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1339 3.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 -4.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0727 -5.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6578 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8607 2.9724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0568 8.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6583 7.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 -3.7206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 -3.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7268 1.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5238 1.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3470 7.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7455 8.6051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -2.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -4.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3013 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.5282 2.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6813 3.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7549 9.4974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1349 10.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5149 9.4974 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 10 2 1 6 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 11 4 1 1 0 0 0 4 77 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 15 2 0 0 0 0 7 17 2 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 69 1 0 0 0 0 10 11 1 0 0 0 0 10 70 1 0 0 0 0 11 13 1 0 0 0 0 11 71 1 0 0 0 0 12 14 1 0 0 0 0 12 72 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 75 1 0 0 0 0 14 76 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 80 1 0 0 0 0 18 81 1 0 0 0 0 19 21 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 24 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 23 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 88 1 0 0 0 0 23 89 1 0 0 0 0 24 28 1 0 0 0 0 24 90 1 0 0 0 0 24 91 1 0 0 0 0 25 27 1 0 0 0 0 25 92 1 0 0 0 0 25 93 1 0 0 0 0 26 30 1 0 0 0 0 26 94 1 0 0 0 0 26 95 1 0 0 0 0 27 29 1 0 0 0 0 27 96 1 0 0 0 0 27 97 1 0 0 0 0 28 31 1 0 0 0 0 28 98 1 0 0 0 0 28 99 1 0 0 0 0 29 32 1 0 0 0 0 29100 1 0 0 0 0 29101 1 0 0 0 0 30 33 1 0 0 0 0 30102 1 0 0 0 0 30103 1 0 0 0 0 31 35 1 0 0 0 0 31104 1 0 0 0 0 31105 1 0 0 0 0 32 34 1 0 0 0 0 32106 1 0 0 0 0 32107 1 0 0 0 0 33 36 1 0 0 0 0 33108 1 0 0 0 0 33109 1 0 0 0 0 34 37 1 0 0 0 0 34110 1 0 0 0 0 34111 1 0 0 0 0 35 39 1 0 0 0 0 35112 1 0 0 0 0 35113 1 0 0 0 0 36 40 1 0 0 0 0 36114 1 0 0 0 0 36115 1 0 0 0 0 37 38 1 0 0 0 0 37116 1 0 0 0 0 37117 1 0 0 0 0 38 48 1 0 0 0 0 38118 1 0 0 0 0 38119 1 0 0 0 0 39 42 2 0 0 0 0 39120 1 0 0 0 0 40 50 2 0 0 0 0 40121 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41122 1 0 0 0 0 41123 1 0 0 0 0 42124 1 0 0 0 0 43 44 1 0 0 0 0 43125 1 0 0 0 0 43126 1 0 0 0 0 44 49 1 0 0 0 0 44127 1 0 0 0 0 44128 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45129 1 0 0 0 0 45130 1 0 0 0 0 46 50 1 0 0 0 0 46131 1 0 0 0 0 46132 1 0 0 0 0 47 51 1 0 0 0 0 47133 1 0 0 0 0 47134 1 0 0 0 0 48 58 2 0 0 0 0 48137 1 0 0 0 0 49 54 1 0 0 0 0 49135 1 0 0 0 0 49136 1 0 0 0 0 50138 1 0 0 0 0 51 57 1 0 0 0 0 51139 1 0 0 0 0 51140 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 0 0 0 0 52141 1 0 0 0 0 52142 1 0 0 0 0 53 56 1 0 0 0 0 53143 1 0 0 0 0 53144 1 0 0 0 0 54 60 1 0 0 0 0 54145 1 0 0 0 0 54146 1 0 0 0 0 55 59 1 0 0 0 0 55147 1 0 0 0 0 55148 1 0 0 0 0 56 58 1 0 0 0 0 56149 1 0 0 0 0 56150 1 0 0 0 0 57 61 1 0 0 0 0 57151 1 0 0 0 0 57152 1 0 0 0 0 58155 1 0 0 0 0 59 62 1 0 0 0 0 59153 1 0 0 0 0 59154 1 0 0 0 0 60 63 1 0 0 0 0 60156 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 62 65 1 0 0 0 0 62160 1 0 0 0 0 62161 1 0 0 0 0 63 66 1 0 0 0 0 63162 1 0 0 0 0 63163 1 0 0 0 0 64 67 1 0 0 0 0 64164 1 0 0 0 0 64165 1 0 0 0 0 65 68 1 0 0 0 0 65166 1 0 0 0 0 65167 1 0 0 0 0 66168 1 0 0 0 0 66169 1 0 0 0 0 66170 1 0 0 0 0 67171 1 0 0 0 0 67172 1 0 0 0 0 67173 1 0 0 0 0 68174 1 0 0 0 0 68175 1 0 0 0 0 68176 1 0 0 0 0 M END $$$$ E03JUX -OEChem-05082103052D 8 7 0 0 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E03KJL -OEChem-05082103062D 22 21 0 1 0 0 0 0 0999 V2000 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 5 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E03ORS -OEChem-04012200562D 35 35 0 1 0 0 0 0 0999 V2000 3.5000 1.9330 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -2.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0981 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 3.4330 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 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6597 -3.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2057 -1.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 0.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5781 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 1.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 -0.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 -1.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 2.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 2.4890 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 4.4631 3.1090 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 1 11 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 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 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 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 11 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 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 27 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 M END $$$$ E03PTQ -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E03REJ -OEChem-05082103092D 33 35 0 0 0 0 0 0 0999 V2000 5.1350 -0.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5173 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 7 21 1 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 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 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 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 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$ E03TBM -OEChem-05082103132D 9 5 0 0 0 0 0 0 0999 V2000 3.4641 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E03UQX -OEChem-05082103112D 57 56 0 1 0 0 0 0 0999 V2000 15.8564 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 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 11.5263 0.4050 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 6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 13.2583 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 14.1244 -0.0950 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 14.9904 0.4050 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 15.8564 -0.0950 0.0000 C 0 0 3 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 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -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 4.1306 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -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 1.4631 -0.4050 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 15.3195 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 56 1 0 0 0 0 2 21 1 0 0 0 0 2 57 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 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 11 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M END $$$$ E03VAV -OEChem-05082103132D 37 36 0 1 0 0 0 0 0999 V2000 8.9282 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0950 0.0000 O 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 4.5981 -0.4050 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 3.7320 0.0950 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 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 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 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 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 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 11.1972 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2150 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 13 1 0 0 0 0 2 36 1 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 4 37 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 5 17 1 0 0 0 0 6 8 1 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 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 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 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 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 M END $$$$ E03XRS -OEChem-05082103052D 69 69 0 1 0 0 0 0 0999 V2000 4.8520 2.2985 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9860 0.7985 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 3.1645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 2.2985 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8520 -0.7015 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1200 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1822 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -3.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0482 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 -3.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0641 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3754 -0.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -0.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -0.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 1.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8487 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2415 -1.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 -2.2841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 3.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9735 1.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 0.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 0.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 0.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7147 1.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 -2.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 -1.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.4885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7601 1.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -1.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8941 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 3.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1075 -3.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -3.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 1.9885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 -4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -4.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8941 -3.1645 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 8 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 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 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 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 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 13 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 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 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 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 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 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 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 M END $$$$ E03YBG -OEChem-05082103042D 15 15 0 0 0 0 0 0 0999 V2000 2.0000 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 0.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -0.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7124 0.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 0.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 -1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ E03ZKP -OEChem-05082103062D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E04CVA -OEChem-05082103112D 11 10 0 0 0 0 0 0 0999 V2000 3.7320 -1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8170 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.5490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.1830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ E04DZI -OEChem-05082103082D 17 16 0 0 0 0 0 0 0999 V2000 5.1350 0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.2760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E04FXO -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E04HFM -OEChem-05082103072D 16 16 0 0 0 0 0 0 0999 V2000 3.0000 0.8450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E04IDW -OEChem-05082103132D 67 66 0 1 0 0 0 0 0999 V2000 16.7224 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4050 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 9.7942 0.0950 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 10.6603 -0.4050 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 11.5263 0.0950 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 12.3923 -0.4050 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 13.2583 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4050 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 14.9904 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3205 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 66 1 0 0 0 0 4 25 1 0 0 0 0 4 67 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 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 7 31 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 12 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 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 16 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 19 1 0 0 0 0 16 20 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 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 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 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 M END $$$$ E04IXR -OEChem-05082103082D 83 82 0 0 0 0 0 0 0999 V2000 11.5263 3.5000 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 9.7942 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 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 8.0622 -1.5000 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 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 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 8.9282 -1.0000 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 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.5000 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 7.1962 3.0000 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 17.5885 3.0000 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 7.1962 -4.0000 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 10.6603 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 3.5000 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 6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 3.9750 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 9.1403 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 3.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -3.9631 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 6.6401 -5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 27 1 0 0 0 0 3 30 1 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 30 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 14 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 15 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 16 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 18 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 19 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 23 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 21 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 22 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 24 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 25 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 28 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 60 1 0 0 0 0 21 29 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 30 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 31 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 32 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 33 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 27 73 1 0 0 0 0 27 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 31 77 1 0 0 0 0 32 78 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 M END $$$$ E04KSN -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 21 1 0 0 0 0 8 2 1 6 0 0 0 2 22 1 0 0 0 0 9 3 1 1 0 0 0 3 23 1 0 0 0 0 10 4 1 6 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E04KTP -OEChem-05082103112D 42 43 0 1 0 0 0 0 0999 V2000 3.4030 -2.2694 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -0.5566 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 0.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9044 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 12 5 1 6 0 0 0 16 5 1 6 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 13 7 1 6 0 0 0 7 38 1 0 0 0 0 14 8 1 1 0 0 0 8 39 1 0 0 0 0 17 9 1 6 0 0 0 9 40 1 0 0 0 0 18 10 1 1 0 0 0 10 41 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E04NDE -OEChem-05082103082D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E04NFW -OEChem-05082103112D 44 29 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0306 7.4081 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 1 7 2 0 0 0 0 4 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 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 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 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 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E04NIZ -OEChem-05082103132D 17 17 0 0 0 0 0 0 0999 V2000 4.6783 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0005 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4883 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0005 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E04WCM -OEChem-05082103072D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 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 5.1350 -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 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5000 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.0000 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 5.1350 2.5000 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 7.4040 0.1900 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 8.2700 1.3100 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 7.7331 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 7.4040 2.8100 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 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 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 7.4040 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1200 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 13 1 1 6 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 14 4 1 1 0 0 0 4 38 1 0 0 0 0 15 5 1 6 0 0 0 5 39 1 0 0 0 0 16 6 1 6 0 0 0 6 40 1 0 0 0 0 17 7 1 1 0 0 0 7 41 1 0 0 0 0 18 8 1 1 0 0 0 8 42 1 0 0 0 0 19 9 1 6 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 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 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 17 19 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 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 6 0 0 0 20 32 1 0 0 0 0 21 23 1 1 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 $$$$ E04XSS -OEChem-05082103122D 53 52 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 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 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 12.8598 -0.7249 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 14.5229 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 16.2549 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 16.3239 -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 18.1254 -0.0600 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 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 53 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 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 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 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 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 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 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 19 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 M END $$$$ E04XXD -OEChem-05082103042D 11 10 0 0 0 0 0 0 0999 V2000 2.5369 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E04ZMC -OEChem-05082103062D 19 18 0 1 0 0 0 0 0999 V2000 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 5 3 1 6 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E05BFS -OEChem-05082103072D 92 91 0 1 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 3 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 10.6603 0.2500 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 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 15.8564 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 17.5885 0.2500 0.0000 C 0 0 3 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 16.7224 -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 18.4545 -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 14.1244 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 19.3205 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 17.5885 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 20.1865 -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 21.0526 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 21.9186 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.2500 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 13.5874 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -0.5600 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 13.6569 -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 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 8.5297 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 11.9248 -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 15.4579 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 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5600 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 16.3239 -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 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 18.0560 -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 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 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -1.2500 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 18.9220 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 18.2085 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -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 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.3700 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 21.6086 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6726 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4326 1.2500 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 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 17 1 0 0 0 0 1 31 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 3 7 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 8 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 9 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 10 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 13 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 14 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 49 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 12 50 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 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 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 17 61 1 0 0 0 0 18 62 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 69 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 26 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 79 1 0 0 0 0 26 29 1 0 0 0 0 26 30 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 27 83 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 M END $$$$ E05BRC -OEChem-05082103092D 26 26 0 0 0 0 0 0 0999 V2000 2.5369 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E05BSD -OEChem-05082103112D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Ti 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E05EDA -OEChem-04012201002D 23 22 0 1 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 -0.0200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 M END $$$$ E05FOW -OEChem-05082103102D 15 12 0 0 0 0 0 0 0999 V2000 5.1350 -0.2685 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0010 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0571 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 8 -1 9 -1 M END $$$$ E05GFF -OEChem-05082103072D 28 28 0 0 0 0 0 0 0999 V2000 3.7320 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$ E05IIA -OEChem-05082103092D 21 17 0 0 0 0 0 0 0999 V2000 3.0981 2.2990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E05NAL -OEChem-05082103152D 29 27 0 1 0 0 0 0 0999 V2000 10.3312 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 2 1 1 0 0 0 2 24 1 0 0 0 0 11 3 1 1 0 0 0 3 25 1 0 0 0 0 12 4 1 1 0 0 0 4 26 1 0 0 0 0 13 5 1 6 0 0 0 5 27 1 0 0 0 0 14 6 1 6 0 0 0 6 28 1 0 0 0 0 7 15 1 0 0 0 0 7 29 1 0 0 0 0 8 16 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 M CHG 2 1 1 8 -1 M END $$$$ E05OTQ -OEChem-05082103152D 14 10 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E05PEC -OEChem-05082103072D 44 43 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 13.2583 -0.2500 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 12.3923 1.2500 0.0000 O 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 7.1962 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 6.3301 -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 5.4641 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 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 14.1244 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 14.9904 -0.2500 0.0000 C 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 8.4607 -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 8.5297 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 2.4675 -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 14.5229 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 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 14.6804 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 0.2869 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 13 2 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 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 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 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 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 15 17 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 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END $$$$ E05PQO -OEChem-05082103132D 40 41 0 0 0 0 0 0 0999 V2000 8.0622 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 3.7500 0.0000 O 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 6.3301 0.7500 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 3.7320 -1.7500 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 2.8660 -3.2500 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 -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 5.4641 -0.7500 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 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 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 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 2.0000 -3.7500 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 -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 2.8660 -5.2500 0.0000 C 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 4.5981 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 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 6.0010 -2.0600 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 9.4651 2.5600 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 9.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4400 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 4.2690 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8700 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 10 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 10 19 2 0 0 0 0 11 22 2 0 0 0 0 11 23 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 29 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 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 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E05PRI -OEChem-05082103112D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.2070 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.1482 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1482 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.2070 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -1.6999 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.1965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 2.4410 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0365 0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 10 31 1 0 0 0 0 11 31 2 0 0 0 0 12 13 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 18 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 28 2 0 0 0 0 20 31 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 5 1 6 1 8 -1 10 -1 M END $$$$ E05RKR -OEChem-05082103052D 26 27 0 0 0 0 0 0 0999 V2000 5.5202 0.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 3.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -2.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$ E05RPP -OEChem-05082103142D 55 54 0 0 0 0 0 0 0999 V2000 14.1244 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4400 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 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.9400 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 4.5981 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.9400 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 7.1962 -2.4400 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 12.3923 -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 6.3301 -2.9400 0.0000 C 0 0 0 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 13.2583 -2.9400 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 9.3957 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5600 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 12.8598 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 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 20 1 0 0 0 0 2 21 1 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 1 0 0 0 0 4 8 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 5 27 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 12 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 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 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 M END $$$$ E05WCT -OEChem-05082103072D 14 13 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E05WMG -OEChem-05082103142D 69 68 0 0 0 0 0 0 0999 V2000 7.7331 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4400 0.0000 C 0 0 0 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 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3374 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7360 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0473 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9133 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 -0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2035 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6020 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1813 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7828 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7794 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3808 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -3.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 69 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 4 27 1 0 0 0 0 5 8 1 0 0 0 0 5 28 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 13 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 14 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 9 36 1 0 0 0 0 9 37 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 15 1 0 0 0 0 11 40 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 17 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 20 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 19 1 0 0 0 0 16 50 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 21 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 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 23 1 0 0 0 0 22 61 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 25 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 M END $$$$ E05YRY -OEChem-05082103082D 15 15 0 0 0 0 0 0 0999 V2000 4.5981 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E06BKD -OEChem-05082103092D 49 48 0 1 0 0 0 0 0999 V2000 12.3923 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0950 0.0000 O 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 6.3301 -0.4050 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 5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 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 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 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 10.6603 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 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 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 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 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 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2150 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 48 1 0 0 0 0 4 19 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 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 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 12 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 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 32 1 0 0 0 0 12 33 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 15 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 19 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 M END $$$$ E06BSG -OEChem-05082103112D 45 45 0 0 0 0 0 0 0999 V2000 9.7942 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7942 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -1.5000 0.0000 O 0 0 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 4.2320 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.8660 0.0000 O 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 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 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 9.7942 -0.5000 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 8.9282 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 4.5981 1.5000 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 8.9282 -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 5.4641 3.0000 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 11.5542 -0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5542 1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.0208 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 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6200 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 11.5470 -1.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5470 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 3.5369 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 3.4220 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.5369 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 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 20 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 2 0 0 0 0 15 17 1 0 0 0 0 15 27 2 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 19 30 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E06CNF -OEChem-05082103072D 15 14 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E06CZB -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 2.1550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ E06DEM -OEChem-05082103112D 108106 0 0 0 0 0 0 0999 V2000 16.1254 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 4.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 1.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 5.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 4.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.7388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 3.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 0.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 4.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1107 1 0 0 0 0 2 34 1 0 0 0 0 2108 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 11 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 13 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 12 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 14 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 17 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 15 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 18 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 19 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 22 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 23 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 24 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 25 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 27 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 26 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 28 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 30 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 31 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 32 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 34 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 35 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 36 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 M END $$$$ E06FKO -OEChem-05082103082D 25 24 0 1 0 0 0 0 0999 V2000 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 20 1 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 1 0 0 0 3 22 1 0 0 0 0 11 4 1 6 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E06GPH -OEChem-05082103092D 67 68 0 0 0 0 0 0 0999 V2000 8.8070 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.9300 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 5.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0749 3.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 4.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 6.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 4.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8896 6.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1993 7.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 4.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4146 4.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 5.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3304 5.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 7.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 6.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3070 5.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 4.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9270 4.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 5.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 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 9.1170 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 3.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 2.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 33 1 0 0 0 0 3 33 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 13 1 0 0 0 0 5 16 1 0 0 0 0 5 50 1 0 0 0 0 6 10 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 12 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 42 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 12 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 15 18 2 0 0 0 0 15 49 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 24 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 54 1 0 0 0 0 23 26 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 25 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 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E06IXR -OEChem-05082103152D 33 32 0 0 0 0 0 0 0999 V2000 1.4030 4.3700 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.6200 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.8700 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 7.9409 5.6200 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 1.4030 3.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 5.1200 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.1800 0.0000 H 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 7.6118 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.5600 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 1.4030 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.5600 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 6.2089 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 33 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 8 12 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 16 2 0 0 0 0 10 23 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 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 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$ E06LZB -OEChem-05082103102D 30 24 0 0 0 0 0 0 0999 V2000 6.8830 -0.3798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 1.1202 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -1.8798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 1.1202 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -1.8798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -0.3798 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 -2.6118 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3732 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5867 -2.6118 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4358 2.8457 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.3018 -1.3732 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.8660 2.8457 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.0169 0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 1.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1509 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 0.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4188 -1.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -0.4669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4396 2.0265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5905 -2.6989 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8623 2.0265 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7114 -2.6990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4227 -0.4669 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5901 0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9829 1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7581 -2.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 1.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5437 -2.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7118 0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 1 25 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 2 26 2 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 3 27 2 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 4 28 2 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 5 29 2 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 6 30 2 0 0 0 0 M CHG 8 7 1 8 1 9 1 10 1 11 1 12 1 19 -1 20 -1 M CHG 4 21 -1 22 -1 23 -1 24 -1 M END $$$$ E06NOK -OEChem-05082103122D 33 35 0 0 0 0 0 0 0999 V2000 2.5369 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7673 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5427 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 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 17 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 11 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 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 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 2 -1 6 1 M END $$$$ E06NRU -OEChem-05082103142D 66 65 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 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 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 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 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 8.9282 -2.2500 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 8.0622 -2.7500 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 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 11.5263 -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 5.4641 -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 12.3923 -2.2500 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 13.2583 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7224 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 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 4.3426 1.6423 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 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 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 3.0781 3.8326 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 6.3301 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 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 2.3100 4.2869 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 1.6900 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 56 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 23 2 0 0 0 0 4 25 1 0 0 0 0 4 65 1 0 0 0 0 5 26 1 0 0 0 0 5 66 1 0 0 0 0 6 7 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 14 1 0 0 0 0 8 31 1 0 0 0 0 9 15 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 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 16 1 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 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 18 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 21 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 21 55 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 24 25 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 26 63 1 0 0 0 0 26 64 1 0 0 0 0 M END $$$$ E06QPI -OEChem-05082103162D 21 18 0 0 0 0 0 0 0999 V2000 6.3519 0.8835 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 1.0578 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 2.6463 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 2.4720 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3893 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 7.8196 3.5659 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4362 0.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8847 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 1.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4362 2.9481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8203 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9919 0.2623 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8203 3.5298 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9919 3.2675 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2453 5.5659 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 2.7830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1113 6.0659 0.0000 Li 0 3 0 0 0 0 0 0 0 0 0 0 4.7083 5.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 8 5 2 6 1 13 -1 14 -1 15 -1 16 -1 17 -1 18 -1 M CHG 1 19 1 M END $$$$ E06QYB -OEChem-05082103092D 59 58 0 0 0 0 0 0 0999 V2000 4.2690 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.4400 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 18.1254 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.4400 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 12.4617 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -0.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 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 2.5369 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 57 1 0 0 0 0 3 58 1 0 0 0 0 3 59 1 0 0 0 0 4 5 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 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M END $$$$ E06RNC -OEChem-05082103042D 16 15 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E06RUT -OEChem-05082103122D 37 41 0 0 0 0 0 0 0999 V2000 4.3198 3.3798 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.8167 3.3798 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.3211 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 0.3211 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 0.2460 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1444 -2.9965 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2327 -1.7956 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9836 -3.3798 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -2.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 2.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 0.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -2.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 2.9894 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 29 1 0 0 0 0 4 30 1 0 0 0 0 5 22 1 0 0 0 0 6 25 1 0 0 0 0 7 28 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 2 0 0 0 0 12 32 1 0 0 0 0 12 36 1 0 0 0 0 13 33 1 0 0 0 0 13 37 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 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 30 1 0 0 0 0 24 35 1 0 0 0 0 25 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 M END $$$$ E06SFE -OEChem-05082103162D 27 20 0 1 0 0 0 0 0999 V2000 4.1807 2.5460 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.3887 1.5679 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.9002 8.5668 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 0.1254 0.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6455 0.8988 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1989 3.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 1.2589 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7663 9.0668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0342 9.0668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9002 7.5668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7977 2.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3854 2.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 4.6904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 2.1588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0764 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 3.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 5.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 8.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 8.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 7.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 16 2 0 0 0 0 5 17 1 0 0 0 0 6 18 2 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 M CHG 8 1 -1 2 3 3 3 5 -1 7 -1 8 -1 9 -1 10 -1 M END $$$$ E06VIR -OEChem-05082103122D 219216 0 1 0 0 0 0 0999 V2000 8.0580 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 10.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 8.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 7.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 19.3969 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 15.3600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 23.4339 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 17.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 13.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 21.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 10.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0580 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0674 10.5500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1920 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9334 9.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9240 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2014 10.0500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9240 2.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2014 9.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3259 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7995 8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 7.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 18.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 14.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 22.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 15.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 23.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 19.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 15.3600 0.0000 C 0 0 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82216 1 0 0 0 0 83217 1 0 0 0 0 83218 1 0 0 0 0 83219 1 0 0 0 0 M CHG 3 13 -1 14 -1 15 -1 M END $$$$ E06VNY -OEChem-05082103062D 56 55 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 11.1972 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 12.0632 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 12.9292 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 13.7953 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 14.6613 0.7500 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 15.5273 0.2500 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 16.3933 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 17.2594 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 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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 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -0.2249 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 16.7919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 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 16.8608 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -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 18.4354 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8154 1.2869 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 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 6 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 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 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 12 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 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 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 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 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 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 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 M END $$$$ E06WAC -OEChem-05082103112D 37 38 0 0 0 0 0 0 0999 V2000 3.7320 3.8391 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0264 -3.7052 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8391 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 8.9942 1.8150 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 4.3391 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 2.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 4.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 -4.7051 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0264 -3.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0265 -3.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 0.8045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 0.2945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0380 -2.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1894 -1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1778 -2.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4431 -2.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 -2.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4618 -0.9116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 -0.8792 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 7 2 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 24 1 0 0 0 0 4 21 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 23 1 0 0 0 0 13 14 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 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 33 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 26 28 2 0 0 0 0 26 37 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 M CHG 4 3 3 4 -1 5 -1 8 -1 M END $$$$ E06WYP -OEChem-05082103042D 14 13 0 0 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E06XKP -OEChem-05082103102D 13 8 0 0 0 0 0 0 0999 V2000 2.0000 -2.0490 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.5000 -0.1830 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.6340 2.0490 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0490 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -1.0490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5000 -0.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1340 1.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5000 1.5490 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 M CHG 8 1 2 2 2 3 2 6 -1 7 -1 8 -1 9 -1 10 -1 M CHG 1 11 -1 M END $$$$ E06YUO -OEChem-05082103102D 8 5 0 0 0 0 0 0 0999 V2000 3.4030 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9030 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E07AGB -OEChem-05082103052D 51 50 0 0 0 0 0 0 0999 V2000 15.8564 -0.2500 0.0000 O 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 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 7.1962 -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 6.3301 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 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 13.2583 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 14.1244 -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 14.9904 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 8.5297 -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 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 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 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 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 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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 16.3933 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 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 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 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 16 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 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 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 M END $$$$ E07AXS -OEChem-05082103072D 45 44 0 0 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 O 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 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 6.3301 -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 5.4641 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 4.5981 -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 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 7.6636 -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 7.5947 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 9.3267 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 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 4.1306 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 3.2646 -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 13.6569 -0.7249 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 14.6613 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 5 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 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 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 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 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 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 15 44 1 0 0 0 0 M END $$$$ E07DTY -OEChem-05082103162D 112110 0 0 0 0 0 0 0999 V2000 4.0010 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.1200 0.0000 N 0 0 0 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 10.0632 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 9.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 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 4.0010 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 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 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 10.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0833 8.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7033 9.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 1.9177 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 4.2131 7.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 8.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8704 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 8.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 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 0.8660 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 32 2 0 0 0 0 3 39 1 0 0 0 0 3109 1 0 0 0 0 4 40 1 0 0 0 0 4110 1 0 0 0 0 5 41 1 0 0 0 0 5111 1 0 0 0 0 6 42 1 0 0 0 0 6112 1 0 0 0 0 7 31 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 32 1 0 0 0 0 8 37 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 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 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 19 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 22 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 18 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 20 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 21 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 24 1 0 0 0 0 19 63 1 0 0 0 0 19 64 1 0 0 0 0 20 23 1 0 0 0 0 20 65 1 0 0 0 0 20 66 1 0 0 0 0 21 25 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 26 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 29 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 28 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 31 1 0 0 0 0 26 77 1 0 0 0 0 26 78 1 0 0 0 0 27 30 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 32 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 29 33 1 0 0 0 0 29 83 1 0 0 0 0 29 84 1 0 0 0 0 30 34 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 34 92 1 0 0 0 0 35 39 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 36 40 1 0 0 0 0 36 95 1 0 0 0 0 36 96 1 0 0 0 0 37 41 1 0 0 0 0 37 97 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 38100 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 41105 1 0 0 0 0 41106 1 0 0 0 0 42107 1 0 0 0 0 42108 1 0 0 0 0 M END $$$$ E07ITM -OEChem-05082103152D 68 70 0 1 0 0 0 0 0999 V2000 12.7425 3.4366 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0628 1.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2303 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1212 1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.8384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.1616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 2 1 6 0 0 0 2 60 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 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 16 41 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 24 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 21 27 1 6 0 0 0 21 51 1 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 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 26 28 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 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E07JCO -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E07KHF -OEChem-05082103132D 32 23 0 0 0 0 0 0 0999 V2000 9.1360 1.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.2700 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9399 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.4040 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6730 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 12.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1394 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0705 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2734 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1360 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 12.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E07KYW -OEChem-04012200582D 44 45 0 1 0 0 0 0 0999 V2000 8.1378 1.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7044 10.7894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5492 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 6.3778 5.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 7.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8189 8.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 11.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 10.2016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 11.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 5.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9468 5.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 7.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0555 7.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 6.8488 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3288 5.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 6.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2256 7.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4677 8.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 9.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 9.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 9.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 10.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9193 7.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7349 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5408 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2210 7.6914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 9.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 9.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 10.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5846 8.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 11.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 28 1 0 0 0 0 4 18 2 0 0 0 0 5 26 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 7 26 2 0 0 0 0 10 44 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 16 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 20 1 0 0 0 0 17 33 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 34 1 0 0 0 0 22 25 2 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 38 1 0 0 0 0 30 32 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 32 41 1 0 0 0 0 M END $$$$ E07KZL -OEChem-05082103052D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E07MJC -OEChem-05082103142D 29 19 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4768 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 12.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7458 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 6.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 12.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 12.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2828 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2089 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3566 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 6.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E07NIW -OEChem-05082103142D 55 58 0 1 0 0 0 0 0999 V2000 10.4601 0.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3357 -1.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 -0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0562 1.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1844 2.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -2.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -3.1846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 0.8741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -0.1259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3319 -0.6225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1960 -0.1192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1921 0.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3242 1.3775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5998 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 2.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -0.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -2.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 -0.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 -0.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7302 0.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7860 1.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 2.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 2.2675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 -1.9304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5997 -0.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5943 1.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4615 -2.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -3.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8054 0.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 1.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 0.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 -2.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3104 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 15 2 1 1 0 0 0 2 43 1 0 0 0 0 16 3 1 6 0 0 0 3 44 1 0 0 0 0 17 4 1 1 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 5 46 1 0 0 0 0 6 21 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 50 1 0 0 0 0 9 26 2 0 0 0 0 10 28 2 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 12 35 1 0 0 0 0 12 55 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 19 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 16 17 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 20 1 6 0 0 0 18 40 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 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 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 28 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$ E07QCK -OEChem-05082103162D 8 0 0 0 0 0 0 0 0999 V2000 1.2990 3.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.5981 1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.7320 1.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.1651 4.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 0.4330 4.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 8 1 4 2 3 3 3 4 -2 5 -2 6 -2 7 -2 8 -2 M END $$$$ E07QDG -OEChem-05082103062D 22 21 0 1 0 0 0 0 0999 V2000 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 6 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E07QDW -OEChem-05082103112D 6 5 0 0 0 0 0 0 0999 V2000 4.5981 -0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$ E07QET -OEChem-05082103152D 27 25 0 1 0 0 0 0 0999 V2000 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2996 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8365 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7626 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 20 1 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 1 0 0 0 3 23 1 0 0 0 0 11 4 1 6 0 0 0 4 24 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 6 13 2 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 22 1 0 0 0 0 M END $$$$ E07RHX -OEChem-05082103132D 45 45 0 0 0 0 0 0 0999 V2000 2.8660 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 2.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 3.8882 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 3.7320 -0.5000 0.0000 N 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 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 3.7320 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 6.3580 3.0347 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 7.2641 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4792 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 3.7320 -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 4.5981 -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 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 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.1671 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 5.1350 -1.6900 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 5.1350 -3.3100 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 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 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 21 1 0 0 0 0 5 20 1 0 0 0 0 5 38 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 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 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 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 21 23 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 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 36 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 30 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 4 3 1 4 1 6 -1 9 -1 M END $$$$ E07RSE -OEChem-05082103102D 17 12 0 0 0 0 0 0 0999 V2000 6.0532 -0.4223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -1.3189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 1.0260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 0.0260 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.3801 -0.8706 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0191 -0.6811 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0872 -0.1635 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4142 -0.6118 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6390 -1.8365 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7262 1.0260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7262 0.0260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7944 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3120 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 1.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7262 2.0260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 12 2 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 14 2 0 0 0 0 2 15 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 16 2 0 0 0 0 3 17 2 0 0 0 0 M CHG 8 4 3 5 3 6 -1 7 -1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E07RWU -OEChem-05082103072D 53 52 0 0 0 0 0 0 0999 V2000 14.1244 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.7500 0.0000 O 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 8.0622 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 8.9282 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 9.7942 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 10.6603 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 11.5263 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 12.3923 0.7500 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 13.2583 0.2500 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 15.8564 0.7500 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 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 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 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 14.9904 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.7500 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 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 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 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 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 16 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 15 46 1 0 0 0 0 17 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 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 M END $$$$ E07UZH -OEChem-05082103072D 56 55 0 0 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 14.9904 -0.2500 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 14.1244 1.2500 0.0000 O 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 10.6603 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 -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 12.3923 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 13.2583 -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 14.1244 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 15.8564 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 16.7224 -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 17.5885 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 18.4545 -0.2500 0.0000 C 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 10.1928 -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 10.2617 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 8.5297 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 11.9248 -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 8.4607 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 16.2549 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 4.1306 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 16.3239 -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 2.4675 -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 17.9870 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 0.7249 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 18.1445 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2869 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 13 2 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 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 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 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 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 15 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 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 17 44 1 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 47 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 21 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 22 56 1 0 0 0 0 M END $$$$ E07WLC -OEChem-05082103152D 20 19 0 1 0 0 0 0 0999 V2000 2.0000 -0.8958 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.3122 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -0.2266 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3692 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 1.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6942 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9062 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6676 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 9 3 1 1 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 6 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E07WRC -OEChem-05082103092D 66 65 0 1 0 0 0 0 0999 V2000 17.5885 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.2500 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 8.9282 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 8.0622 -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 7.1962 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 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 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 3 0 0 0 0 0 0 0 0 0 19.3205 1.2500 0.0000 C 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 8.5297 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 10.1928 -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 8.4607 -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 10.2617 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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 5.0656 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 13.6569 -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 14.5229 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 4.1306 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.2646 -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 15.4579 0.7249 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 18.0560 -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 19.8574 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7005 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 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 22 1 0 0 0 0 2 21 2 0 0 0 0 3 23 1 0 0 0 0 3 66 1 0 0 0 0 4 5 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 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 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 11 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 13 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 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 18 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 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 20 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 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 M END $$$$ E07WTO -OEChem-05082103162D 86 89 0 1 0 0 0 0 0999 V2000 2.0000 0.5000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 16.7224 5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7224 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5263 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 N 0 3 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 14.1244 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.0000 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 12.3923 -0.5000 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 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5000 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 11.5263 -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 15.8564 2.5000 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 13.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 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 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -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 15.8564 -0.5000 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 15.8564 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 12.3923 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 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 16.7224 4.0000 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 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.5000 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 17.5885 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 17.5885 3.5000 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 14.7783 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.6200 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 8.3913 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.8100 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 15.2364 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.9631 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 8.6182 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 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 12.9292 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.3800 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 12.9292 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.1900 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 18.1254 3.8100 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 2 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 44 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 45 1 0 0 0 0 4 11 1 0 0 0 0 4 12 2 0 0 0 0 4 13 2 0 0 0 0 4 46 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 23 1 0 0 0 0 15 19 2 0 0 0 0 15 22 1 0 0 0 0 15 24 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 36 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 37 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 40 2 0 0 0 0 25 41 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 27 30 2 0 0 0 0 27 62 1 0 0 0 0 28 38 2 0 0 0 0 28 42 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 65 1 0 0 0 0 32 34 2 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 39 2 0 0 0 0 35 43 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 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 44 1 0 0 0 0 38 75 1 0 0 0 0 39 45 1 0 0 0 0 39 76 1 0 0 0 0 40 47 1 0 0 0 0 40 77 1 0 0 0 0 41 48 2 0 0 0 0 41 78 1 0 0 0 0 42 49 2 0 0 0 0 42 79 1 0 0 0 0 43 50 2 0 0 0 0 43 80 1 0 0 0 0 44 51 2 0 0 0 0 45 52 2 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 51 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 M CHG 5 1 2 5 -1 8 -1 11 -1 15 1 M END $$$$ E08AAI -OEChem-04012200542D 155154 0 0 0 0 0 0 0999 V2000 18.4545 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.0000 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 13.2583 -1.5000 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 13.2583 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.0000 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 12.3923 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.0000 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 10.6603 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.6209 5.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0009 7.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -6.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -8.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 6.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 4.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 5.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 52 1 0 0 0 0 2 56 1 0 0 0 0 3 53 1 0 0 0 0 3 57 1 0 0 0 0 4 50 2 0 0 0 0 5 52 2 0 0 0 0 6 53 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 58 1 0 0 0 0 7 59 1 0 0 0 0 8 14 1 0 0 0 0 8 60 1 0 0 0 0 8 61 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 64 1 0 0 0 0 10 65 1 0 0 0 0 11 17 1 0 0 0 0 11 66 1 0 0 0 0 11 67 1 0 0 0 0 12 18 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 13 19 1 0 0 0 0 13 70 1 0 0 0 0 13 71 1 0 0 0 0 14 20 1 0 0 0 0 14 72 1 0 0 0 0 14 73 1 0 0 0 0 15 21 1 0 0 0 0 15 74 1 0 0 0 0 15 75 1 0 0 0 0 16 22 1 0 0 0 0 16 76 1 0 0 0 0 16 77 1 0 0 0 0 17 23 1 0 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 24 1 0 0 0 0 18 80 1 0 0 0 0 18 81 1 0 0 0 0 19 25 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 26 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 27 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 28 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 23 29 1 0 0 0 0 23 90 1 0 0 0 0 23 91 1 0 0 0 0 24 30 1 0 0 0 0 24 92 1 0 0 0 0 24 93 1 0 0 0 0 25 31 1 0 0 0 0 25 94 1 0 0 0 0 25 95 1 0 0 0 0 26 32 1 0 0 0 0 26 96 1 0 0 0 0 26 97 1 0 0 0 0 27 33 1 0 0 0 0 27 98 1 0 0 0 0 27 99 1 0 0 0 0 28 34 1 0 0 0 0 28100 1 0 0 0 0 28101 1 0 0 0 0 29 35 1 0 0 0 0 29102 1 0 0 0 0 29103 1 0 0 0 0 30 36 1 0 0 0 0 30104 1 0 0 0 0 30105 1 0 0 0 0 31 37 1 0 0 0 0 31106 1 0 0 0 0 31107 1 0 0 0 0 32 38 1 0 0 0 0 32108 1 0 0 0 0 32109 1 0 0 0 0 33 39 1 0 0 0 0 33110 1 0 0 0 0 33111 1 0 0 0 0 34 40 1 0 0 0 0 34112 1 0 0 0 0 34113 1 0 0 0 0 35 41 1 0 0 0 0 35114 1 0 0 0 0 35115 1 0 0 0 0 36 42 1 0 0 0 0 36116 1 0 0 0 0 36117 1 0 0 0 0 37 43 1 0 0 0 0 37118 1 0 0 0 0 37119 1 0 0 0 0 38 44 1 0 0 0 0 38120 1 0 0 0 0 38121 1 0 0 0 0 39 45 1 0 0 0 0 39122 1 0 0 0 0 39123 1 0 0 0 0 40 46 1 0 0 0 0 40124 1 0 0 0 0 40125 1 0 0 0 0 41 47 1 0 0 0 0 41126 1 0 0 0 0 41127 1 0 0 0 0 42 48 1 0 0 0 0 42128 1 0 0 0 0 42129 1 0 0 0 0 43 50 1 0 0 0 0 43130 1 0 0 0 0 43131 1 0 0 0 0 44 51 1 0 0 0 0 44132 1 0 0 0 0 44133 1 0 0 0 0 45 52 1 0 0 0 0 45134 1 0 0 0 0 45135 1 0 0 0 0 46 53 1 0 0 0 0 46136 1 0 0 0 0 46137 1 0 0 0 0 47 54 1 0 0 0 0 47138 1 0 0 0 0 47139 1 0 0 0 0 48 55 1 0 0 0 0 48140 1 0 0 0 0 48141 1 0 0 0 0 49 56 1 0 0 0 0 49 57 1 0 0 0 0 49142 1 0 0 0 0 51143 1 0 0 0 0 51144 1 0 0 0 0 51145 1 0 0 0 0 54146 1 0 0 0 0 54147 1 0 0 0 0 54148 1 0 0 0 0 55149 1 0 0 0 0 55150 1 0 0 0 0 55151 1 0 0 0 0 56152 1 0 0 0 0 56153 1 0 0 0 0 57154 1 0 0 0 0 57155 1 0 0 0 0 M END $$$$ E08BBO -OEChem-05082103082D 26 26 0 0 0 0 0 0 0999 V2000 5.4641 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ E08DIP -OEChem-05082103052D 15 15 0 0 0 0 0 0 0999 V2000 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 M END $$$$ E08FQA -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E08HTI -OEChem-05082103042D 16 16 0 0 0 0 0 0 0999 V2000 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E08NVW -OEChem-05082103102D 46 45 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 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 10.3312 -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 9.4651 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 8.5991 -0.2500 0.0000 C 0 0 0 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 7.7331 0.2500 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 6.8671 -0.2500 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 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 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 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 9.0666 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 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 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -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 7.2656 -0.7249 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 6.3996 0.7249 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 15.2173 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 0.2869 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 3.8705 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 3.8015 -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 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 16 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 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 14 41 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 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E08RJB -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E08SAL -OEChem-05082103092D 62 64 0 0 0 0 0 0 0999 V2000 6.3913 -3.9134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 4.1555 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3713 -5.6454 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5080 5.6454 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6660 -1.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 -4.7852 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5196 4.6454 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5196 -4.4034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 -3.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8813 5.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 3.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -1.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 2.1556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -2.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -3.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 3.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -1.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 2.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 4.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -3.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 3.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 2.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -3.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 4.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -1.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 1.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -4.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 4.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -2.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -4.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 -4.2697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -3.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 3.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 4.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 4.7289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 30 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 45 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 2 0 0 0 0 20 22 1 0 0 0 0 20 28 2 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 29 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 31 1 0 0 0 0 27 47 1 0 0 0 0 28 32 1 0 0 0 0 28 48 1 0 0 0 0 29 35 1 0 0 0 0 30 36 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 33 39 2 0 0 0 0 33 51 1 0 0 0 0 34 40 2 0 0 0 0 34 52 1 0 0 0 0 35 37 2 0 0 0 0 35 53 1 0 0 0 0 36 38 2 0 0 0 0 36 54 1 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 38 42 1 0 0 0 0 39 55 1 0 0 0 0 40 56 1 0 0 0 0 41 57 1 0 0 0 0 41 58 1 0 0 0 0 41 59 1 0 0 0 0 42 60 1 0 0 0 0 42 61 1 0 0 0 0 42 62 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 8 -1 M END $$$$ E08UZZ -OEChem-05082103142D 5 2 0 0 0 0 0 0 0999 V2000 3.4030 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E08VAJ -OEChem-05082103052D 19 19 0 0 0 0 0 0 0999 V2000 4.2690 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E08VIF -OEChem-05082103152D 8 6 0 0 0 0 0 0 0999 V2000 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2685 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E08XEK -OEChem-05082103122D 43 42 0 1 0 0 0 0 0999 V2000 8.0158 -4.3942 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 5.0852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -5.8942 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 5.7897 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.6858 2.6581 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2557 -0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 1.8491 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6968 2.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -5.3942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0158 -4.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0158 -4.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 5.8942 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7733 4.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 5.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -0.3942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8248 0.1936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 1.9536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 1.8491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5158 1.1446 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2067 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 1.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 -3.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1497 -2.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 1.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 4.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 3.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 3.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 4.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9034 1.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -1.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 -1.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4187 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6128 -3.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 1.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 3.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 3.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 4.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 25 1 0 0 0 0 2 12 1 0 0 0 0 2 13 2 0 0 0 0 2 14 2 0 0 0 0 2 30 1 0 0 0 0 6 20 2 0 0 0 0 7 28 1 0 0 0 0 8 28 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 27 2 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 40 1 0 0 0 0 32 34 2 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 34 43 1 0 0 0 0 M CHG 6 3 1 4 1 5 1 7 -1 9 -1 12 -1 M END $$$$ E08YBT -OEChem-05082103082D 16 15 0 0 0 0 0 0 0999 V2000 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E09BVZ -OEChem-05082103072D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END $$$$ E09CQW -OEChem-05082103092D 120126 0 1 0 0 0 0 0999 V2000 6.8671 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 1.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 8.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3882 7.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 2.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8920 0.7583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9040 1.7999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7643 3.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7920 0.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6801 1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6921 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 3.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 4.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7722 5.3725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6723 3.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 4.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0361 2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 2.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0322 3.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 6.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8046 -0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 6.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 5.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -4.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.3970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -6.8970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -6.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -7.3970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -7.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6385 1.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 -0.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 0.8715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 4.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 3.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 0.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 4.7467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 5.4381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 1.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 2.5907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -1.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 1.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 1.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 2.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.0281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 3.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 5.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 4.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 6.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 7.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 -0.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 -0.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -1.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 7.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 7.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.0476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 5.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -5.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -6.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -7.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -8.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31 1 1 1 0 0 0 47 1 1 6 0 0 0 2 32 2 0 0 0 0 3 47 1 0 0 0 0 3 50 1 0 0 0 0 4 46 1 0 0 0 0 4105 1 0 0 0 0 5 46 2 0 0 0 0 48 6 1 6 0 0 0 52 6 1 1 0 0 0 49 7 1 1 0 0 0 7110 1 0 0 0 0 51 8 1 6 0 0 0 8111 1 0 0 0 0 9 52 1 0 0 0 0 9 56 1 0 0 0 0 10 53 1 0 0 0 0 10115 1 0 0 0 0 11 53 2 0 0 0 0 54 12 1 6 0 0 0 12117 1 0 0 0 0 55 13 1 1 0 0 0 13118 1 0 0 0 0 57 14 1 6 0 0 0 14119 1 0 0 0 0 15 58 1 0 0 0 0 15120 1 0 0 0 0 16 58 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 1 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 29 1 0 0 0 0 18 35 1 1 0 0 0 19 32 1 0 0 0 0 19 59 1 6 0 0 0 20 25 1 0 0 0 0 20 28 1 0 0 0 0 20 36 1 6 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 60 1 6 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 31 1 0 0 0 0 23 41 1 0 0 0 0 23 42 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 37 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 65 1 1 0 0 0 27 30 1 0 0 0 0 27 39 1 0 0 0 0 27 44 1 1 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 34 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 33 73 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 34 77 1 0 0 0 0 35 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 37 84 1 0 0 0 0 38 40 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 43 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 43 1 0 0 0 0 40 45 1 6 0 0 0 40 46 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 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 44 97 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 47 48 1 0 0 0 0 47103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49106 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 1 0 0 0 50107 1 0 0 0 0 51108 1 0 0 0 0 52 54 1 0 0 0 0 52109 1 0 0 0 0 54 55 1 0 0 0 0 54112 1 0 0 0 0 55 57 1 0 0 0 0 55113 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 1 0 0 0 56114 1 0 0 0 0 57116 1 0 0 0 0 M END $$$$ E09DGH -OEChem-05082103072D 35 36 0 0 0 0 0 0 0999 V2000 6.2619 0.7990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 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 2.8660 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 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 2.0000 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 -1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5719 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7249 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 -2.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0719 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5530 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 2.8660 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 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 3 1 0 0 0 0 1 11 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 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 9 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 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 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 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 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 M END $$$$ E09DSN -OEChem-05082103152D 48 46 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 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 2.8660 0.2500 0.0000 O 0 5 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 -0.2500 0.0000 N 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 11.5263 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 12.3923 -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 13.2583 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 14.1244 -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 14.9904 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 15.8564 -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 -1.2500 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 10.2617 -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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2869 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 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 16 2 0 0 0 0 3 20 1 0 0 0 0 4 20 2 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 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 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 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 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 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 17 1 0 0 0 0 15 39 1 0 0 0 0 15 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 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 M CHG 2 1 1 3 -1 M END $$$$ E09DYC -OEChem-05082103152D 6 4 0 1 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 4 6 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E09EXY -OEChem-05082103042D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E09FCQ -OEChem-05082103082D 166162 0 0 0 0 0 0 0999 V2000 17.5885 6.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 17.5885 5.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.4545 6.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 6.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.8564 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.7500 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 25.3827 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 8.2500 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 24.5167 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.7500 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 29.7128 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.7500 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 23.6506 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.2500 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 30.5788 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.7500 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 31.4449 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 6.7500 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 15.8564 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 6.7500 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 16.7224 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -5.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -5.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -5.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -7.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -6.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -6.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -7.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 7.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 8.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -8.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.3529 6.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7329 7.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 8.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 8.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 7.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 59 1 0 0 0 0 3 60 1 0 0 0 0 4 61 1 0 0 0 0 5 59 2 0 0 0 0 6 60 2 0 0 0 0 7 61 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 62 1 0 0 0 0 8 63 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 64 1 0 0 0 0 9 65 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 66 1 0 0 0 0 10 67 1 0 0 0 0 11 17 1 0 0 0 0 11 68 1 0 0 0 0 11 69 1 0 0 0 0 12 18 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 19 1 0 0 0 0 13 72 1 0 0 0 0 13 73 1 0 0 0 0 14 20 1 0 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 21 1 0 0 0 0 15 76 1 0 0 0 0 15 77 1 0 0 0 0 16 22 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 23 1 0 0 0 0 17 80 1 0 0 0 0 17 81 1 0 0 0 0 18 24 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 25 1 0 0 0 0 19 84 1 0 0 0 0 19 85 1 0 0 0 0 20 26 1 0 0 0 0 20 86 1 0 0 0 0 20 87 1 0 0 0 0 21 27 1 0 0 0 0 21 88 1 0 0 0 0 21 89 1 0 0 0 0 22 28 1 0 0 0 0 22 90 1 0 0 0 0 22 91 1 0 0 0 0 23 29 1 0 0 0 0 23 92 1 0 0 0 0 23 93 1 0 0 0 0 24 30 1 0 0 0 0 24 94 1 0 0 0 0 24 95 1 0 0 0 0 25 31 1 0 0 0 0 25 96 1 0 0 0 0 25 97 1 0 0 0 0 26 32 1 0 0 0 0 26 98 1 0 0 0 0 26 99 1 0 0 0 0 27 33 1 0 0 0 0 27100 1 0 0 0 0 27101 1 0 0 0 0 28 34 1 0 0 0 0 28102 1 0 0 0 0 28103 1 0 0 0 0 29 35 1 0 0 0 0 29104 1 0 0 0 0 29105 1 0 0 0 0 30 36 1 0 0 0 0 30106 1 0 0 0 0 30107 1 0 0 0 0 31 37 1 0 0 0 0 31108 1 0 0 0 0 31109 1 0 0 0 0 32 38 1 0 0 0 0 32110 1 0 0 0 0 32111 1 0 0 0 0 33 39 1 0 0 0 0 33112 1 0 0 0 0 33113 1 0 0 0 0 34 40 1 0 0 0 0 34114 1 0 0 0 0 34115 1 0 0 0 0 35 41 1 0 0 0 0 35116 1 0 0 0 0 35117 1 0 0 0 0 36 42 1 0 0 0 0 36118 1 0 0 0 0 36119 1 0 0 0 0 37 43 1 0 0 0 0 37120 1 0 0 0 0 37121 1 0 0 0 0 38 44 1 0 0 0 0 38122 1 0 0 0 0 38123 1 0 0 0 0 39 45 1 0 0 0 0 39124 1 0 0 0 0 39125 1 0 0 0 0 40 46 1 0 0 0 0 40126 1 0 0 0 0 40127 1 0 0 0 0 41 47 1 0 0 0 0 41128 1 0 0 0 0 41129 1 0 0 0 0 42 48 1 0 0 0 0 42130 1 0 0 0 0 42131 1 0 0 0 0 43 49 1 0 0 0 0 43132 1 0 0 0 0 43133 1 0 0 0 0 44 50 1 0 0 0 0 44134 1 0 0 0 0 44135 1 0 0 0 0 45 51 1 0 0 0 0 45136 1 0 0 0 0 45137 1 0 0 0 0 46 52 1 0 0 0 0 46138 1 0 0 0 0 46139 1 0 0 0 0 47 53 1 0 0 0 0 47140 1 0 0 0 0 47141 1 0 0 0 0 48 54 1 0 0 0 0 48142 1 0 0 0 0 48143 1 0 0 0 0 49 55 1 0 0 0 0 49144 1 0 0 0 0 49145 1 0 0 0 0 50 56 1 0 0 0 0 50146 1 0 0 0 0 50147 1 0 0 0 0 51 57 1 0 0 0 0 51148 1 0 0 0 0 51149 1 0 0 0 0 52 58 1 0 0 0 0 52150 1 0 0 0 0 52151 1 0 0 0 0 53 59 1 0 0 0 0 53152 1 0 0 0 0 53153 1 0 0 0 0 54 60 1 0 0 0 0 54154 1 0 0 0 0 54155 1 0 0 0 0 55 61 1 0 0 0 0 55156 1 0 0 0 0 55157 1 0 0 0 0 56158 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 57163 1 0 0 0 0 58164 1 0 0 0 0 58165 1 0 0 0 0 58166 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E09FSQ -OEChem-05082103112D 33 33 0 1 0 0 0 0 0999 V2000 6.5214 2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3693 -0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 1.6136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8492 -0.0337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1092 1.2264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.3264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 0.2753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1092 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -1.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7032 -0.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9986 -1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3972 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 -1.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 -1.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8679 2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 2.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -0.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 -1.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0560 2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9004 1.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 1.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 33 1 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 12 1 0 0 0 0 9 16 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 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 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 17 25 1 0 0 0 0 17 26 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ E09IIR -OEChem-05082103102D 38 37 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 9.7942 0.2500 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 8.9282 -1.2500 0.0000 O 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 -0.2500 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 8.0622 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 8.9282 -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 10.6603 -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 11.5263 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 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 6.7976 -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 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 8.4607 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 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3700 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 3.4860 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 2.2460 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0403 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -1.2500 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 12 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 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 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 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 16 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 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 M END $$$$ E09KDO -OEChem-05082103082D 30 30 0 0 0 0 0 0 0999 V2000 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -0.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$ E09KYH -OEChem-05082103162D 57 55 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 2.0000 -0.0000 0.0000 Na 0 3 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 -0.0000 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 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 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 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 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 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 19.3205 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.5000 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 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4965 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8765 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 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 5.0656 -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 1 5 1 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 3 19 1 0 0 0 0 3 21 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 9 10 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 13 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 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 16 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 19 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 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 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 24 56 1 0 0 0 0 24 57 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E09MLD -OEChem-05082103162D 32 30 0 0 0 0 0 0 0999 V2000 1.4030 4.8100 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.6200 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8064 7.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 7.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9404 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 6.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4030 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 2.4300 0.0000 H 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 7.6118 0.8100 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 2.2690 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 7 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 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 13 1 0 0 0 0 12 23 1 0 0 0 0 13 24 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 25 1 0 0 0 0 16 18 2 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 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$ E09OPU -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E09QIG -OEChem-05082103102D 24 22 0 0 0 0 0 0 0999 V2000 2.7690 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 3.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3516 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E09UGV -OEChem-05082103122D 15 13 0 1 0 0 0 0 0999 V2000 5.5006 -0.7886 0.0000 Sn 0 2 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -1.4121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5006 0.2114 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1204 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 0.6124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E09UND -OEChem-05082103152D 48 47 0 1 0 0 0 0 0999 V2000 5.4165 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1486 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8931 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7150 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 16 2 1 6 0 0 0 18 2 1 6 0 0 0 13 3 1 1 0 0 0 3 36 1 0 0 0 0 14 4 1 6 0 0 0 4 37 1 0 0 0 0 15 5 1 6 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 41 1 0 0 0 0 21 7 1 6 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 43 1 0 0 0 0 22 9 1 1 0 0 0 9 45 1 0 0 0 0 10 23 1 0 0 0 0 10 46 1 0 0 0 0 11 24 2 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 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 32 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$ E09USK -OEChem-05082103152D 16 15 0 1 0 0 0 0 0999 V2000 7.2144 0.2192 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.5282 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7281 -1.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.4197 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.1681 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2601 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 2 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E09WWS -OEChem-05082103122D 86 87 0 1 0 0 0 0 0999 V2000 7.2241 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1301 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1368 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6335 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1368 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6401 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6401 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1434 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6401 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1434 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6468 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6468 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6468 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1501 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1501 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6534 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3392 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7435 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0517 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5168 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5234 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2152 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6177 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0268 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7186 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0887 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9347 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1649 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7501 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0583 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5301 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2219 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4555 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0334 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7252 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7568 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0650 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1849 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3389 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1087 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5367 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2285 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5301 2.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1477 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7701 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1525 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1916 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3455 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1153 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 6 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 6 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 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 12 50 1 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 6 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 22 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 27 1 0 0 0 0 21 23 2 0 0 0 0 21 28 1 0 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 24 1 0 0 0 0 23 30 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 29 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 31 1 0 0 0 0 29 32 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 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 81 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 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 M END $$$$ E09YDF -OEChem-05082103112D 92 94 0 1 0 0 0 0 0999 V2000 8.9561 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8622 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3655 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8688 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3655 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8688 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3722 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3722 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8755 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3722 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8755 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3788 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3788 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3788 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8821 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8821 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3855 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7522 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4440 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0712 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4755 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2488 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2555 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9473 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7588 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4506 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8207 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4822 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7904 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9539 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2555 1.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9103 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0643 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8341 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7655 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4573 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4888 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7970 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9170 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0709 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8407 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2688 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9606 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2622 2.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8798 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5021 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8845 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9236 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0776 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8474 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5557 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 25 1 0 0 0 0 2 34 1 0 0 0 0 3 34 2 0 0 0 0 4 37 1 0 0 0 0 4 39 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 6 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 11 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 6 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 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 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 22 1 0 0 0 0 18 26 1 6 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 25 2 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 23 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 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 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 M END $$$$ E09YYN -OEChem-05082103162D 11 6 0 0 0 0 0 0 0999 V2000 0.0000 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E09ZKW -OEChem-05082103132D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E09ZWX -OEChem-05082103082D 53 52 0 0 0 0 0 0 0999 V2000 6.0010 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 N 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 9.4651 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 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 12.0632 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.1550 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 13.7953 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.1550 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 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.6550 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 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2173 0.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8373 1.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 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 1 15 2 0 0 0 0 2 19 1 0 0 0 0 2 52 1 0 0 0 0 3 20 1 0 0 0 0 3 53 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 21 1 0 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 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 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 15 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 18 1 0 0 0 0 14 39 1 0 0 0 0 14 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 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 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 M END $$$$ E09ZXG -OEChem-05082103052D 31 31 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E09ZYR -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0A0TR -OEChem-05082103072D 22 22 0 1 0 0 0 0 0999 V2000 4.2690 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 7 2 1 6 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 20 1 0 0 0 0 10 4 1 6 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 1 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0A1CS -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.5369 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END $$$$ E0A1XD -OEChem-05082103122D 23 21 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 2 1 6 0 0 0 2 20 1 0 0 0 0 11 3 1 6 0 0 0 3 21 1 0 0 0 0 12 4 1 1 0 0 0 4 22 1 0 0 0 0 13 5 1 6 0 0 0 5 23 1 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 M CHG 3 1 2 6 -1 8 -1 M END $$$$ E0A7SF -OEChem-05082103152D 19 19 0 0 0 0 0 0 0999 V2000 2.8660 0.5000 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0AA3N -OEChem-05082103062D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 M END $$$$ E0AT0O -OEChem-04012201012D 14 11 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0AX8U -OEChem-05082103142D 92 93 0 1 0 0 0 0 0999 V2000 19.1865 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4466 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6865 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8807 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4956 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6865 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8775 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4545 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5885 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5885 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1376 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9265 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7694 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 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 3.7320 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5925 2.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2390 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4391 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8465 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6262 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3068 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8402 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5755 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2235 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4704 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1289 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.3064 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 13 2 1 6 0 0 0 17 2 1 6 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 14 4 1 6 0 0 0 4 55 1 0 0 0 0 15 5 1 1 0 0 0 5 56 1 0 0 0 0 18 6 1 6 0 0 0 6 57 1 0 0 0 0 19 7 1 1 0 0 0 7 58 1 0 0 0 0 20 8 1 6 0 0 0 8 59 1 0 0 0 0 9 22 1 0 0 0 0 9 60 1 0 0 0 0 10 23 1 0 0 0 0 10 61 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 6 0 0 0 16 43 1 0 0 0 0 17 18 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 20 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 21 24 1 1 0 0 0 21 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 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 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 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 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 32 33 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 35 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 36 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 36 37 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 39 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 40 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 M END $$$$ E0B0EX -OEChem-05082103142D 214209 0 1 0 0 0 0 0999 V2000 22.2304 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3643 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 7.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4983 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 5.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 6.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7663 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8284 6.4300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 11.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 21.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 10.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 20.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 14.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 14.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 24.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 14.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 14.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 24.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 15.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 15.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1275 25.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 13.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 13.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2614 23.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9313 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0653 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 16.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 16.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 26.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7973 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 12.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 12.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 22.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1993 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6634 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 17.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 17.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9935 27.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3332 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3954 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 6.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3643 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2304 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0964 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 6.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4983 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0964 6.4300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 11.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 11.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4672 21.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 17.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 17.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8595 27.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 6.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6323 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9624 6.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 11.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 11.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6012 21.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 14.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5398 14.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 14.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 14.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3395 24.1943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7380 24.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8512 14.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4526 14.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 14.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 14.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0494 24.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6509 24.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 16.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 15.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 16.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 15.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9154 26.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5169 25.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 12.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 13.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 12.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 13.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4735 22.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8720 23.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 12.1134 0.0000 H 0 0 0 0 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20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1959 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 13.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 12.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 13.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 12.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1834 23.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7848 22.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5978 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8007 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0619 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2648 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5832 17.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1847 17.0308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 17.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 17.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7814 27.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3829 27.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 10.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9347 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7318 20.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9323 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9324 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9013 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 10.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5294 20.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5594 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0352 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 12.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 12.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8657 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0687 22.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 17.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 17.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 18.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 17.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 18.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 18.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1695 27.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3965 28.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5495 28.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 5.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2337 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0308 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3609 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5639 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8274 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7673 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9614 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6333 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2293 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3654 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 21.4669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61 1 1 6 0 0 0 1200 1 0 0 0 0 62 2 1 6 0 0 0 2201 1 0 0 0 0 63 3 1 6 0 0 0 3202 1 0 0 0 0 64 4 1 6 0 0 0 4203 1 0 0 0 0 68 5 1 1 0 0 0 5204 1 0 0 0 0 69 6 1 1 0 0 0 6205 1 0 0 0 0 70 7 1 6 0 0 0 7206 1 0 0 0 0 71 8 1 6 0 0 0 8207 1 0 0 0 0 9 78 1 0 0 0 0 9208 1 0 0 0 0 10 79 1 0 0 0 0 10209 1 0 0 0 0 11 80 1 0 0 0 0 11210 1 0 0 0 0 12 81 1 0 0 0 0 12211 1 0 0 0 0 13 82 1 0 0 0 0 13212 1 0 0 0 0 14 83 1 0 0 0 0 14213 1 0 0 0 0 15 84 1 0 0 0 0 15214 1 0 0 0 0 16 82 2 0 0 0 0 17 83 2 0 0 0 0 18 84 2 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 19 85 1 0 0 0 0 19 86 1 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 20 87 1 0 0 0 0 20 88 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 21 89 1 0 0 0 0 21 90 1 0 0 0 0 22 28 1 0 0 0 0 22 91 1 0 0 0 0 22 92 1 0 0 0 0 23 29 1 0 0 0 0 23 93 1 0 0 0 0 23 94 1 0 0 0 0 24 30 1 0 0 0 0 24 95 1 0 0 0 0 24 96 1 0 0 0 0 25 37 1 0 0 0 0 25 97 1 0 0 0 0 25 98 1 0 0 0 0 26 38 1 0 0 0 0 26 99 1 0 0 0 0 26100 1 0 0 0 0 27 39 1 0 0 0 0 27101 1 0 0 0 0 27102 1 0 0 0 0 28 43 1 0 0 0 0 28103 1 0 0 0 0 28104 1 0 0 0 0 29 44 1 0 0 0 0 29105 1 0 0 0 0 29106 1 0 0 0 0 30 45 1 0 0 0 0 30107 1 0 0 0 0 30108 1 0 0 0 0 31 34 1 0 0 0 0 31 40 1 0 0 0 0 31109 1 0 0 0 0 31110 1 0 0 0 0 32 35 1 0 0 0 0 32 41 1 0 0 0 0 32111 1 0 0 0 0 32112 1 0 0 0 0 33 36 1 0 0 0 0 33 42 1 0 0 0 0 33113 1 0 0 0 0 33114 1 0 0 0 0 34 46 1 0 0 0 0 34115 1 0 0 0 0 34116 1 0 0 0 0 35 47 1 0 0 0 0 35117 1 0 0 0 0 35118 1 0 0 0 0 36 48 1 0 0 0 0 36119 1 0 0 0 0 36120 1 0 0 0 0 37 52 1 0 0 0 0 37121 1 0 0 0 0 37122 1 0 0 0 0 38 53 1 0 0 0 0 38123 1 0 0 0 0 38124 1 0 0 0 0 39 54 1 0 0 0 0 39125 1 0 0 0 0 39126 1 0 0 0 0 40 49 1 0 0 0 0 40127 1 0 0 0 0 40128 1 0 0 0 0 41 50 1 0 0 0 0 41129 1 0 0 0 0 41130 1 0 0 0 0 42 51 1 0 0 0 0 42131 1 0 0 0 0 42132 1 0 0 0 0 43 58 1 0 0 0 0 43133 1 0 0 0 0 43134 1 0 0 0 0 44 59 1 0 0 0 0 44135 1 0 0 0 0 44136 1 0 0 0 0 45 60 1 0 0 0 0 45137 1 0 0 0 0 45138 1 0 0 0 0 46 55 1 0 0 0 0 46139 1 0 0 0 0 46140 1 0 0 0 0 47 56 1 0 0 0 0 47141 1 0 0 0 0 47142 1 0 0 0 0 48 57 1 0 0 0 0 48143 1 0 0 0 0 48144 1 0 0 0 0 49 65 1 0 0 0 0 49145 1 0 0 0 0 49146 1 0 0 0 0 50 66 1 0 0 0 0 50147 1 0 0 0 0 50148 1 0 0 0 0 51 67 1 0 0 0 0 51149 1 0 0 0 0 51150 1 0 0 0 0 52 75 1 0 0 0 0 52151 1 0 0 0 0 52152 1 0 0 0 0 53 76 1 0 0 0 0 53153 1 0 0 0 0 53154 1 0 0 0 0 54 77 1 0 0 0 0 54155 1 0 0 0 0 54156 1 0 0 0 0 55 72 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 73 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 74 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 65 2 0 0 0 0 58163 1 0 0 0 0 59 66 2 0 0 0 0 59164 1 0 0 0 0 60 67 2 0 0 0 0 60165 1 0 0 0 0 61 63 1 0 0 0 0 61 68 1 0 0 0 0 61166 1 0 0 0 0 62 64 1 0 0 0 0 62 69 1 0 0 0 0 62167 1 0 0 0 0 63 70 1 0 0 0 0 63168 1 0 0 0 0 64 71 1 0 0 0 0 64169 1 0 0 0 0 65170 1 0 0 0 0 66171 1 0 0 0 0 67172 1 0 0 0 0 68 78 1 0 0 0 0 68173 1 0 0 0 0 69 79 1 0 0 0 0 69174 1 0 0 0 0 70 80 1 0 0 0 0 70175 1 0 0 0 0 71 81 1 0 0 0 0 71176 1 0 0 0 0 72 82 1 0 0 0 0 72177 1 0 0 0 0 72178 1 0 0 0 0 73 83 1 0 0 0 0 73179 1 0 0 0 0 73180 1 0 0 0 0 74 84 1 0 0 0 0 74181 1 0 0 0 0 74182 1 0 0 0 0 75183 1 0 0 0 0 75184 1 0 0 0 0 75185 1 0 0 0 0 76186 1 0 0 0 0 76187 1 0 0 0 0 76188 1 0 0 0 0 77189 1 0 0 0 0 77190 1 0 0 0 0 77191 1 0 0 0 0 78192 1 0 0 0 0 78193 1 0 0 0 0 79194 1 0 0 0 0 79195 1 0 0 0 0 80196 1 0 0 0 0 80197 1 0 0 0 0 81198 1 0 0 0 0 81199 1 0 0 0 0 M END $$$$ E0B2KS -OEChem-05082103052D 13 13 0 0 0 0 0 0 0999 V2000 2.8660 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0B2SX -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0B5CE -OEChem-05082103132D 27 26 0 0 0 0 0 0 0999 V2000 8.1282 -1.0241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9923 -1.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 -0.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 18 1 0 0 0 0 4 20 1 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 23 2 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 27 1 0 0 0 0 M CHG 8 2 1 3 1 4 -1 5 -1 8 -1 10 -1 12 1 13 1 M END $$$$ E0B6RA -OEChem-05082103132D 17 16 0 0 0 0 0 0 0999 V2000 3.7320 2.9050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0B6VR -OEChem-05082103122D 119118 0 1 0 0 0 0 0999 V2000 20.1865 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 21.0526 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -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 8.9282 -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 27.1147 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 8.0622 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 26.2487 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 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 11.5263 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 24.5167 -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 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 -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 23.6506 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 34.0429 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 22.7846 -0.2500 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 34.9090 -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 21.9186 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 35.7750 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 21.0526 -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 19.3205 -0.2500 0.0000 C 0 0 3 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -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 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 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 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 29.3143 -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 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 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 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 30.9774 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 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 7.5947 -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 25.7812 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 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 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 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 32.7784 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 -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 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 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 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 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 22.3861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 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 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 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 36.0850 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4650 0.7869 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 19.8574 -0.5600 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 18.7005 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9405 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 1 41 1 0 0 0 0 2 40 1 0 0 0 0 2 42 1 0 0 0 0 3 39 2 0 0 0 0 4 40 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 10 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 12 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 13 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 14 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 15 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 16 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 17 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 18 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 19 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 20 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 22 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 21 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 23 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 20 24 1 0 0 0 0 20 74 1 0 0 0 0 20 75 1 0 0 0 0 21 25 1 0 0 0 0 21 76 1 0 0 0 0 21 77 1 0 0 0 0 22 27 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 26 1 0 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 24 28 1 0 0 0 0 24 82 1 0 0 0 0 24 83 1 0 0 0 0 25 29 1 0 0 0 0 25 84 1 0 0 0 0 25 85 1 0 0 0 0 26 30 1 0 0 0 0 26 86 1 0 0 0 0 26 87 1 0 0 0 0 27 31 1 0 0 0 0 27 88 1 0 0 0 0 27 89 1 0 0 0 0 28 32 1 0 0 0 0 28 90 1 0 0 0 0 28 91 1 0 0 0 0 29 33 1 0 0 0 0 29 92 1 0 0 0 0 29 93 1 0 0 0 0 30 34 1 0 0 0 0 30 94 1 0 0 0 0 30 95 1 0 0 0 0 31 35 1 0 0 0 0 31 96 1 0 0 0 0 31 97 1 0 0 0 0 32 36 1 0 0 0 0 32 98 1 0 0 0 0 32 99 1 0 0 0 0 33 37 1 0 0 0 0 33100 1 0 0 0 0 33101 1 0 0 0 0 34 38 1 0 0 0 0 34102 1 0 0 0 0 34103 1 0 0 0 0 35 39 1 0 0 0 0 35104 1 0 0 0 0 35105 1 0 0 0 0 36 40 1 0 0 0 0 36106 1 0 0 0 0 36107 1 0 0 0 0 37108 1 0 0 0 0 37109 1 0 0 0 0 37110 1 0 0 0 0 38111 1 0 0 0 0 38112 1 0 0 0 0 38113 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41114 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 M END $$$$ E0B7AO -OEChem-05082103142D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.5173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.5173 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.4586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.5173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 2.0173 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -2.0102 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.5068 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.0173 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9321 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.1719 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 29 1 0 0 0 0 5 25 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 30 1 0 0 0 0 13 31 2 0 0 0 0 14 35 1 0 0 0 0 15 35 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 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 23 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 21 27 2 0 0 0 0 22 28 1 0 0 0 0 22 36 1 0 0 0 0 23 29 2 0 0 0 0 23 37 1 0 0 0 0 24 32 1 0 0 0 0 24 35 1 0 0 0 0 25 33 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 M CHG 4 9 1 10 1 12 -1 14 -1 M END $$$$ E0B9GO -OEChem-05082103102D 9 6 0 0 0 0 0 0 0999 V2000 0.0000 2.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.5000 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5000 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3660 4.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 M CHG 7 1 2 2 -1 3 -1 4 -1 5 -1 8 1 9 1 M END $$$$ E0BA0I -OEChem-05082103112D 57 56 0 0 0 0 0 0 0999 V2000 16.7224 0.2500 0.0000 O 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 0.7500 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 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 5.4641 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 4.5981 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 3.7320 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 2.8660 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 0.7500 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 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 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 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 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 7 31 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 12 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 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 17 1 0 0 0 0 13 42 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 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 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 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 M END $$$$ E0BG2A -OEChem-05082103092D 56 55 0 0 0 0 0 0 0999 V2000 16.7224 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 O 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 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 6.3301 -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 9.7942 -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 10.6603 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 11.5263 -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 12.3923 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 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 14.9904 -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 7.6636 -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 7.5947 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 9.3267 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 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 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 9.3957 -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 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 11.0588 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 4.1306 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 11.1278 -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 2.8660 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 13.6569 -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 13.7258 0.7249 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 6 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 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 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 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 12 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 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 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 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 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 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 18 52 1 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 19 55 1 0 0 0 0 M END $$$$ E0BG7D -OEChem-05082103162D 24 22 0 0 0 0 0 0 0999 V2000 6.2854 0.9516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 5.5079 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 7.0955 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5961 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 8.0034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 1.7563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 1.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4732 3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 8.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7427 8.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 5 11 2 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 M RAD 1 2 2 M END $$$$ E0BI3X -OEChem-05082103122D 39 39 0 1 0 0 0 0 0999 V2000 5.4641 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1900 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 6.3301 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 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 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 2 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 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 5.4641 2.1900 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 3.7320 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8100 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 5.4641 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 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 4.2690 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5000 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 5.6762 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5000 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 3.7320 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -1.8469 0.0000 H 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 6.6401 -0.7731 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 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 19 2 0 0 0 0 8 6 1 6 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 10 7 1 1 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 13 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 12 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 19 1 0 0 0 0 14 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 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 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 M END $$$$ E0BP8N -OEChem-05082103142D 60 59 0 0 0 0 0 0 0999 V2000 3.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7500 0.0000 O 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 -2.2500 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 14.1244 1.7500 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 9.7942 -2.7500 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 14.9904 2.2500 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 10.6603 -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 14.9904 3.2500 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 11.5263 -2.7500 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 15.8564 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 2.8660 -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 14.3364 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -1.3577 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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.5600 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 5.8626 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.2250 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 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 25 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 27 1 0 0 0 0 5 28 1 0 0 0 0 6 10 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 11 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 14 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 17 2 0 0 0 0 16 49 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 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 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 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 M END $$$$ E0BQ1W -OEChem-05082103142D 49 50 0 1 0 0 0 0 0999 V2000 4.2690 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -2.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 1.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 2.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5950 0.0000 C 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 5.4641 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5250 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 5.1350 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.5950 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 6.5380 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3531 3.5950 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 7.1131 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.7150 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 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 19 1 0 0 0 0 4 26 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 6 17 1 0 0 0 0 6 39 1 0 0 0 0 7 18 1 0 0 0 0 7 40 1 0 0 0 0 8 21 1 0 0 0 0 8 41 1 0 0 0 0 9 23 1 0 0 0 0 9 27 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 24 2 0 0 0 0 13 25 2 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 21 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 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 24 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 25 1 0 0 0 0 22 36 1 0 0 0 0 23 37 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 $$$$ E0BR5J -OEChem-05082103122D 54 54 0 0 0 0 0 0 0999 V2000 4.2690 2.9050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.4050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2690 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -3.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -2.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9651 0.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -0.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 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 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 C 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 5.1350 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5950 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 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2150 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 24 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 32 1 0 0 0 0 6 54 1 0 0 0 0 15 33 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 34 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 30 2 0 0 0 0 17 53 1 0 0 0 0 18 19 2 3 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 26 2 0 0 0 0 20 29 1 0 0 0 0 21 27 2 0 0 0 0 21 31 1 0 0 0 0 22 24 2 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 30 1 0 0 0 0 25 30 1 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 32 1 0 0 0 0 27 41 1 0 0 0 0 28 33 2 0 0 0 0 29 35 2 0 0 0 0 29 42 1 0 0 0 0 31 36 2 0 0 0 0 31 43 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 44 1 0 0 0 0 36 45 1 0 0 0 0 37 46 1 0 0 0 0 37 47 1 0 0 0 0 37 48 1 0 0 0 0 M CHG 4 4 1 5 1 7 -1 12 -1 M END $$$$ E0BS4M -OEChem-05082103172D 66 65 0 1 0 0 0 0 0999 V2000 13.2583 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 O 0 5 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 11.5263 1.5000 0.0000 C 0 0 3 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 11.5263 0.5000 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 8.9282 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 7.1962 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 2.0000 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 9.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 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 4.5981 1.5000 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 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.8564 2.0000 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 12.0632 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.4631 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 9.2382 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 65 1 0 0 0 0 4 26 1 0 0 0 0 4 66 1 0 0 0 0 5 27 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 16 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 12 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 13 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 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 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 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 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 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 25 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 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 24 61 1 0 0 0 0 25 26 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 M CHG 1 5 -1 M END $$$$ E0BS9U -OEChem-05082103122D 24 23 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 19 1 0 0 0 0 8 2 1 6 0 0 0 2 20 1 0 0 0 0 9 3 1 1 0 0 0 3 22 1 0 0 0 0 10 4 1 6 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0BT1Y -OEChem-05082103142D 39 40 0 1 0 0 0 0 0999 V2000 2.9665 1.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7095 0.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6754 -0.0036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9404 0.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 2.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 0.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9507 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4075 -0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -1.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 1.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -0.8463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 0.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 1.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9137 -0.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -1.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 2.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 2.3559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 2.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 1.6463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 0.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4137 -1.8867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2607 -2.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 -0.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5939 0.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.6495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1476 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0045 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -2.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 -0.0767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 6 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 1 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 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 6 24 1 0 0 0 0 7 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 13 2 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 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 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 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$ E0BX6Q -OEChem-04012200522D 54 51 0 1 0 0 0 0 0999 V2000 8.9282 5.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 5.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 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 9.7942 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4282 4.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 6.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 6.5000 0.0000 O 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 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 2.8660 -4.0000 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 -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 2.0000 -5.5000 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 2.0000 -6.5000 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 8.0622 5.0000 0.0000 C 0 0 3 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 7.1962 5.5000 0.0000 C 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 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 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 3.9441 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -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 3.0781 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 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 6.1181 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.8923 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 8.2742 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.6200 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 24 1 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 9 26 1 0 0 0 0 10 26 2 0 0 0 0 11 12 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 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 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 17 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 19 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 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 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 25 1 0 0 0 0 23 52 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 M CHG 4 2 1 3 1 6 -1 9 -1 M END $$$$ E0BZ1I -OEChem-05082103142D 77 76 0 1 0 0 0 0 0999 V2000 16.7224 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5885 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8564 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.5950 0.0000 C 0 0 1 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 4.5981 0.4050 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 11.5263 -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 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.5950 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 2.8660 2.4050 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 12.3923 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.0950 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 6.3301 -2.5950 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 13.2583 -2.5950 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 16.1855 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.9050 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 3.5200 0.3224 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 4.8101 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.4876 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 4.3860 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8224 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 5.6762 -0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 3.9876 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 4.9272 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1855 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 6 0 0 0 1 70 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 9 3 1 6 0 0 0 3 71 1 0 0 0 0 10 4 1 6 0 0 0 4 72 1 0 0 0 0 14 5 1 1 0 0 0 5 73 1 0 0 0 0 6 26 1 0 0 0 0 6 77 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 32 1 0 0 0 0 9 14 1 0 0 0 0 9 33 1 0 0 0 0 10 21 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 35 1 0 0 0 0 11 36 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 12 38 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 26 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 25 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 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 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 28 1 0 0 0 0 22 56 1 0 0 0 0 22 57 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 29 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 30 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 31 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 29 2 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 M END $$$$ E0C0WM -OEChem-05082103122D 20 19 0 0 0 0 0 0 0999 V2000 3.2152 0.9516 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7988 1.7563 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.0252 0.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5259 3.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 5.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 1.7563 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 5.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 5.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 5 10 2 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$ E0C1GK -OEChem-05082103082D 16 13 0 0 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 2.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0C1JQ -OEChem-05082103102D 63 62 0 0 0 0 0 0 0999 V2000 5.1350 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -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 13.7953 0.7500 0.0000 C 0 0 0 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 14.6613 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.7500 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 16.3933 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.7500 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 18.1254 0.2500 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 18.9914 0.7500 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 19.8574 0.2500 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 20.7235 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 4.2690 0.2500 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 14.1938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2250 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 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 23 1 0 0 0 0 3 63 1 0 0 0 0 4 5 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 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 7 31 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 12 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 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 16 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 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 21 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 20 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 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 M END $$$$ E0C1PK -OEChem-05082103132D 5 3 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0C2MQ -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Cu 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0C3AX -OEChem-05082103052D 38 37 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 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 9.4651 0.7500 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 10.3312 0.2500 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 11.1972 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 12.0632 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 12.9292 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 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 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 9.8637 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 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.2249 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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 13.2392 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 1.2869 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 14 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 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 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 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 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 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M END $$$$ E0C3HB -OEChem-05082103082D 59 58 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 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 0.7500 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 9.7942 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 10.6603 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 11.5263 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 12.3923 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 13.2583 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 14.1244 0.7500 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 14.9904 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 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 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 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 16.1855 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1024 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 -0.7500 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 18 2 0 0 0 0 3 4 1 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 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 7 31 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 12 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 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 16 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 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 M END $$$$ E0C3YK -OEChem-05082103072D 13 12 0 0 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 M END $$$$ E0C5QF -OEChem-05082103062D 14 13 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E0C6LP -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ba 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0C6OP -OEChem-05082103082D 23 22 0 1 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E0C8PM -OEChem-05082103162D 29 19 0 1 0 0 0 0 0999 V2000 8.2094 1.8100 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.3434 1.3100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0749 5.1200 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 0.5369 4.8825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 4.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2089 5.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9409 5.6200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3434 0.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.4774 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 4.3825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 4.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.0725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6118 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 12 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 8 1 -1 2 3 3 3 7 -1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0CB4I -OEChem-05082103122D 207215 0 1 0 0 0 0 0999 V2000 16.3933 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 3.9050 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 23.3215 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -7.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 7.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 8.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.4050 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 12.9292 -6.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 4.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 5.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5895 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 -0.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 1.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 -0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5273 0.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 -3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -1.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6613 -0.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -6.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3215 2.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1876 2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1876 3.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -5.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -6.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3215 4.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 5.9050 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 5.1350 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5895 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 5.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4555 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 5.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -5.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -6.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -6.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7235 6.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3215 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7963 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -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 18.9914 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 4.7150 0.0000 H 0 0 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0 0 0 0 80 81 1 0 0 0 0 80 83 1 0 0 0 0 80136 1 0 0 0 0 81137 1 0 0 0 0 82138 1 0 0 0 0 83 95 1 1 0 0 0 83139 1 0 0 0 0 84140 1 0 0 0 0 84141 1 0 0 0 0 85142 1 0 0 0 0 85143 1 0 0 0 0 86144 1 0 0 0 0 86145 1 0 0 0 0 87146 1 0 0 0 0 87147 1 0 0 0 0 88 92 1 0 0 0 0 88 93 1 0 0 0 0 88148 1 0 0 0 0 89150 1 0 0 0 0 89151 1 0 0 0 0 90 94 1 0 0 0 0 90158 1 0 0 0 0 91159 1 0 0 0 0 91160 1 0 0 0 0 92 96 1 0 0 0 0 92161 1 0 0 0 0 93102 1 6 0 0 0 93164 1 0 0 0 0 94 97 1 0 0 0 0 94167 1 0 0 0 0 95170 1 0 0 0 0 95171 1 0 0 0 0 96100 1 0 0 0 0 96172 1 0 0 0 0 97 98 1 0 0 0 0 97173 1 0 0 0 0 98 99 1 0 0 0 0 98179 1 0 0 0 0 99103 1 6 0 0 0 99180 1 0 0 0 0 100182 1 0 0 0 0 102184 1 0 0 0 0 102185 1 0 0 0 0 103193 1 0 0 0 0 103194 1 0 0 0 0 104205 1 0 0 0 0 104206 1 0 0 0 0 104207 1 0 0 0 0 M END $$$$ E0CD9V -OEChem-05082103162D 151152 0 1 0 0 0 0 0999 V2000 20.9186 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1787 1.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4186 2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -3.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4506 2.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7718 -0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.3544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2276 1.3055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4186 1.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6096 1.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0526 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0526 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8696 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3205 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3205 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6585 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5638 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3070 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2580 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0012 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9522 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6954 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6464 1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3896 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3406 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0838 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0348 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7780 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7290 2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4722 3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.4233 2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1664 3.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1175 3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8606 3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6660 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9710 2.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1712 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5786 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3582 -0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -1.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0389 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5722 1.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3076 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9555 3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8609 2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5981 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8184 1.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9670 0.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7466 0.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2923 1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5126 1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6612 0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4408 0.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9865 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2068 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3554 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1350 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6807 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9010 2.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0496 1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8292 1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3749 3.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5952 2.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7438 1.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5234 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.0691 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2894 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4380 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2176 2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7633 3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9836 3.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1322 2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9118 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.4575 4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6778 3.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.8264 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.6060 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.2755 3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3214 4.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4457 4.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6825 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 14 2 1 6 0 0 0 18 2 1 6 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 15 4 1 6 0 0 0 4 74 1 0 0 0 0 16 5 1 1 0 0 0 5 77 1 0 0 0 0 6 20 1 0 0 0 0 6 26 1 0 0 0 0 19 7 1 6 0 0 0 7 78 1 0 0 0 0 21 8 1 1 0 0 0 8 79 1 0 0 0 0 22 9 1 6 0 0 0 9 80 1 0 0 0 0 10 24 1 0 0 0 0 10 81 1 0 0 0 0 11 25 1 0 0 0 0 11 29 1 0 0 0 0 12 26 2 0 0 0 0 13 29 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 62 1 0 0 0 0 16 17 1 0 0 0 0 16 63 1 0 0 0 0 17 24 1 6 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 65 1 0 0 0 0 19 21 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 22 1 0 0 0 0 21 69 1 0 0 0 0 22 23 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 1 0 0 0 23 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 30 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 33 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 32 34 1 0 0 0 0 32 90 1 0 0 0 0 32 91 1 0 0 0 0 33 35 1 0 0 0 0 33 92 1 0 0 0 0 33 93 1 0 0 0 0 34 36 1 0 0 0 0 34 94 1 0 0 0 0 34 95 1 0 0 0 0 35 37 1 0 0 0 0 35 96 1 0 0 0 0 35 97 1 0 0 0 0 36 38 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 37 39 1 0 0 0 0 37100 1 0 0 0 0 37101 1 0 0 0 0 38 40 1 0 0 0 0 38102 1 0 0 0 0 38103 1 0 0 0 0 39 41 1 0 0 0 0 39104 1 0 0 0 0 39105 1 0 0 0 0 40 43 1 0 0 0 0 40106 1 0 0 0 0 40107 1 0 0 0 0 41 42 1 0 0 0 0 41108 1 0 0 0 0 41109 1 0 0 0 0 42 44 1 0 0 0 0 42110 1 0 0 0 0 42111 1 0 0 0 0 43 45 1 0 0 0 0 43112 1 0 0 0 0 43113 1 0 0 0 0 44 46 1 0 0 0 0 44114 1 0 0 0 0 44115 1 0 0 0 0 45 48 1 0 0 0 0 45116 1 0 0 0 0 45117 1 0 0 0 0 46 47 1 0 0 0 0 46118 1 0 0 0 0 46119 1 0 0 0 0 47 49 1 0 0 0 0 47120 1 0 0 0 0 47121 1 0 0 0 0 48 50 1 0 0 0 0 48122 1 0 0 0 0 48123 1 0 0 0 0 49 51 1 0 0 0 0 49124 1 0 0 0 0 49125 1 0 0 0 0 50 52 1 0 0 0 0 50126 1 0 0 0 0 50127 1 0 0 0 0 51 53 1 0 0 0 0 51128 1 0 0 0 0 51129 1 0 0 0 0 52 54 1 0 0 0 0 52130 1 0 0 0 0 52131 1 0 0 0 0 53 55 1 0 0 0 0 53132 1 0 0 0 0 53133 1 0 0 0 0 54 56 1 0 0 0 0 54134 1 0 0 0 0 54135 1 0 0 0 0 55 57 1 0 0 0 0 55136 1 0 0 0 0 55137 1 0 0 0 0 56 58 1 0 0 0 0 56138 1 0 0 0 0 56139 1 0 0 0 0 57 59 1 0 0 0 0 57140 1 0 0 0 0 57141 1 0 0 0 0 58 60 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59 61 1 0 0 0 0 59144 1 0 0 0 0 59145 1 0 0 0 0 60146 1 0 0 0 0 60147 1 0 0 0 0 60148 1 0 0 0 0 61149 1 0 0 0 0 61150 1 0 0 0 0 61151 1 0 0 0 0 M END $$$$ E0CE4F -OEChem-05082103152D 174184 0 1 0 0 0 0 0999 V2000 12.9292 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.0000 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 10.3312 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.5000 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 10.3312 -5.5000 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 17.2594 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.5000 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 11.1972 -7.0000 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 18.9914 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -9.5000 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 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 19.8574 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.5000 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 22.4555 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7953 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5000 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 15.5273 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 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 9.4651 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0000 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 15.5273 2.5000 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 11.1972 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.0000 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 12.9292 -5.0000 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 17.2594 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.0000 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 9.4651 4.0000 0.0000 C 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 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.0000 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 10.3312 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5000 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 18.1254 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.0000 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 12.0632 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -8.0000 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 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -7.0000 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 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.0000 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 21.5895 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.0000 0.0000 C 0 0 0 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 14.6613 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.1200 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 10.5866 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -5.1900 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 19.5284 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -8.3100 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 4.2690 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 5.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.8100 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 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -9.1200 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 22.4555 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 9.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 47 2 1 1 0 0 0 2 53 1 0 0 0 0 48 3 1 6 0 0 0 3 54 1 0 0 0 0 49 4 1 6 0 0 0 4 55 1 0 0 0 0 51 5 1 1 0 0 0 5 56 1 0 0 0 0 6 52 1 0 0 0 0 6 60 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 56 2 0 0 0 0 11 60 2 0 0 0 0 12 71 1 0 0 0 0 12 88 1 0 0 0 0 13 72 1 0 0 0 0 13 89 1 0 0 0 0 14 75 1 0 0 0 0 14 90 1 0 0 0 0 15 73 1 0 0 0 0 15140 1 0 0 0 0 16 74 1 0 0 0 0 16141 1 0 0 0 0 17 76 1 0 0 0 0 17142 1 0 0 0 0 18 81 1 0 0 0 0 18 91 1 0 0 0 0 19 79 1 0 0 0 0 19143 1 0 0 0 0 20 80 1 0 0 0 0 20144 1 0 0 0 0 21 82 1 0 0 0 0 21145 1 0 0 0 0 22 83 1 0 0 0 0 22146 1 0 0 0 0 23 84 1 0 0 0 0 23147 1 0 0 0 0 24 85 1 0 0 0 0 24 94 1 0 0 0 0 25 86 1 0 0 0 0 25148 1 0 0 0 0 26 87 1 0 0 0 0 26149 1 0 0 0 0 27 88 2 0 0 0 0 28 89 2 0 0 0 0 29 90 2 0 0 0 0 30 91 2 0 0 0 0 31 94 2 0 0 0 0 32106 1 0 0 0 0 32160 1 0 0 0 0 33107 1 0 0 0 0 33161 1 0 0 0 0 34108 1 0 0 0 0 34162 1 0 0 0 0 35109 1 0 0 0 0 35163 1 0 0 0 0 36110 1 0 0 0 0 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0 0 0 0 70137 1 0 0 0 0 71 79 1 0 0 0 0 72 80 1 0 0 0 0 73 79 2 0 0 0 0 74 80 2 0 0 0 0 75 83 1 0 0 0 0 76 83 2 0 0 0 0 77 85 2 0 0 0 0 77138 1 0 0 0 0 78 86 1 0 0 0 0 78139 1 0 0 0 0 81 84 1 0 0 0 0 82 84 2 0 0 0 0 85 87 1 0 0 0 0 86 87 2 0 0 0 0 88 92 1 0 0 0 0 89 93 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 98 2 0 0 0 0 92 99 1 0 0 0 0 93100 2 0 0 0 0 93101 1 0 0 0 0 94 97 1 0 0 0 0 95102 2 0 0 0 0 95103 1 0 0 0 0 96104 2 0 0 0 0 96105 1 0 0 0 0 97112 2 0 0 0 0 97113 1 0 0 0 0 98107 1 0 0 0 0 98150 1 0 0 0 0 99106 2 0 0 0 0 99151 1 0 0 0 0 100109 1 0 0 0 0 100152 1 0 0 0 0 101108 2 0 0 0 0 101153 1 0 0 0 0 102111 1 0 0 0 0 102154 1 0 0 0 0 103110 2 0 0 0 0 103155 1 0 0 0 0 104117 1 0 0 0 0 104156 1 0 0 0 0 105116 2 0 0 0 0 105157 1 0 0 0 0 106114 1 0 0 0 0 107114 2 0 0 0 0 108115 1 0 0 0 0 109115 2 0 0 0 0 110118 1 0 0 0 0 111118 2 0 0 0 0 112121 1 0 0 0 0 112158 1 0 0 0 0 113120 2 0 0 0 0 113159 1 0 0 0 0 116119 1 0 0 0 0 117119 2 0 0 0 0 120122 1 0 0 0 0 121122 2 0 0 0 0 M END $$$$ E0CM2S -OEChem-05082103072D 16 15 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0CR4U -OEChem-05082103052D 17 17 0 0 0 0 0 0 0999 V2000 3.7320 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E0CT8R -OEChem-05082103152D 54 52 0 0 0 0 0 0 0999 V2000 2.0000 -2.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7500 0.0000 O 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 0.2500 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 8.0622 -2.2500 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 12.3923 -0.7500 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 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.2500 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 9.7942 -2.2500 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 14.1244 3.2500 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 10.6603 -2.7500 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 14.9904 3.7500 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 13.4704 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 9 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 12 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 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 13 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 16 1 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 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 18 2 0 0 0 0 17 48 1 0 0 0 0 18 49 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 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0CU0W -OEChem-05082103072D 14 13 0 1 0 0 0 0 0999 V2000 6.0010 0.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E0CU1W -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0CW9H -OEChem-05082103082D 44 43 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 9.4651 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 10.3312 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 11.1972 0.7500 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 12.0632 0.2500 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 12.9292 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 13.7953 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 14.6613 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 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 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2250 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.2249 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 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 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 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -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 14.9713 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 1.2869 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 16 1 0 0 0 0 1 44 1 0 0 0 0 2 16 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 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 M END $$$$ E0CY1T -OEChem-05082103152D 25 23 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 2 1 6 0 0 0 2 21 1 0 0 0 0 10 3 1 6 0 0 0 3 22 1 0 0 0 0 11 4 1 1 0 0 0 4 23 1 0 0 0 0 12 5 1 6 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 2 1 1 7 -1 M END $$$$ E0CZ6G -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0CZ9M -OEChem-05082103152D 19 17 0 1 0 0 0 0 0999 V2000 6.3301 1.5600 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.0600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 5 11 2 0 0 0 0 8 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0D0FA -OEChem-05082103122D 18 17 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 15 1 0 0 0 0 6 2 1 6 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0D0JM -OEChem-05082103152D 48 49 0 0 0 0 0 0 0999 V2000 2.8660 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2500 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 2.3660 -2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 O 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 6.3301 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 N 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 9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2500 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 2.7500 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 11.5263 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 5.4641 -2.2500 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 -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 3.7320 -2.2500 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 4.5981 -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 8.0622 -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 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.9400 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 4.5981 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 5 2 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 4 28 2 0 0 0 0 7 29 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 46 1 0 0 0 0 10 22 2 0 0 0 0 11 27 2 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 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 21 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 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 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0D0JV -OEChem-05082103152D 105102 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 9.7942 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 10.6603 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 11.5263 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 27.1147 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 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 28.8468 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 24.5167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 23.6506 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 30.5788 0.2500 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 22.7846 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 31.4449 0.7500 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 21.9186 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 32.3109 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 33.1769 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 33.4869 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7138 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8669 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 38 1 0 0 0 0 3 38 2 0 0 0 0 4 39 1 0 0 0 0 5 39 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 9 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 11 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 10 12 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 17 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 19 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 52 1 0 0 0 0 13 53 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 15 18 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 20 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 17 22 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 21 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 24 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 23 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 25 1 0 0 0 0 21 70 1 0 0 0 0 21 71 1 0 0 0 0 22 26 1 0 0 0 0 22 72 1 0 0 0 0 22 73 1 0 0 0 0 23 27 1 0 0 0 0 23 74 1 0 0 0 0 23 75 1 0 0 0 0 24 28 1 0 0 0 0 24 76 1 0 0 0 0 24 77 1 0 0 0 0 25 29 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 30 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 31 1 0 0 0 0 27 82 1 0 0 0 0 27 83 1 0 0 0 0 28 32 1 0 0 0 0 28 84 1 0 0 0 0 28 85 1 0 0 0 0 29 33 1 0 0 0 0 29 86 1 0 0 0 0 29 87 1 0 0 0 0 30 34 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 35 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 33 37 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 38 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 35 39 1 0 0 0 0 35 98 1 0 0 0 0 35 99 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 M CHG 3 1 2 2 -1 4 -1 M END $$$$ E0D0QF -OEChem-05082103042D 20 19 0 1 0 0 0 0 0999 V2000 2.8660 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0D0QU -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0D2FK -OEChem-05082103132D 66 67 0 1 0 0 0 0 0999 V2000 7.7331 -1.0950 0.0000 O 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 9.4651 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -3.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -1.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 1.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 2.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 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 2.8660 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.7850 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 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.0250 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 23 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 21 1 0 0 0 0 4 29 1 0 0 0 0 5 18 1 0 0 0 0 5 51 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 7 20 1 0 0 0 0 7 54 1 0 0 0 0 8 22 1 0 0 0 0 8 55 1 0 0 0 0 9 24 1 0 0 0 0 9 56 1 0 0 0 0 10 25 1 0 0 0 0 10 57 1 0 0 0 0 11 28 1 0 0 0 0 11 60 1 0 0 0 0 12 30 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 66 1 0 0 0 0 16 34 2 0 0 0 0 17 18 1 0 0 0 0 17 26 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 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 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 27 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 28 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 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 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 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 65 1 0 0 0 0 M END $$$$ E0D6JV -OEChem-05082103042D 12 11 0 1 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END $$$$ E0D8OB -OEChem-05082103062D 20 20 0 1 0 0 0 0 0999 V2000 2.5896 0.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -0.8605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 1.0656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 0.6784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9781 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -0.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 -1.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8735 0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0814 1.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1858 -0.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 7 4 1 1 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0D8PK -OEChem-05082103122D 37 41 0 0 0 0 0 0 0999 V2000 7.8167 2.9155 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 2.9155 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -0.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9805 -2.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 1.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 1.9051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 -1.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8728 -1.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7691 -2.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2419 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7343 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3063 -0.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 -0.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3139 -3.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 0.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8523 -2.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8035 -3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1365 1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5972 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 8 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 5 15 2 0 0 0 0 6 25 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 37 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 9 12 1 0 0 0 0 9 16 2 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 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 27 1 0 0 0 0 19 31 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 27 35 1 0 0 0 0 M END $$$$ E0D9CM -OEChem-05082103122D 10 6 0 0 0 0 0 0 0999 V2000 2.0000 -1.7500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 2 0 0 0 0 M CHG 6 1 1 4 3 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0DA3A -OEChem-05082103102D 33 32 0 1 0 0 0 0 0999 V2000 3.9399 3.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9399 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0739 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2700 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4040 1.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5369 3.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6720 4.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5380 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.5000 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 6.5380 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.5000 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 5.6720 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1580 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 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 5 7 2 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 30 1 0 0 0 0 8 31 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 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 14 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 14 17 2 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 2 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 6 1 -1 2 -1 4 -1 6 1 7 1 8 1 M END $$$$ E0DA7K -OEChem-05082103102D 12 8 0 0 0 0 0 0 0999 V2000 8.0622 -0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 M CHG 6 1 1 4 3 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0DB2E -OEChem-05082103082D 6 3 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0DI4R -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0DR4N -OEChem-05082103062D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 6 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0DS2Q -OEChem-05082103082D 30 29 0 1 0 0 0 0 0999 V2000 5.4641 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 22 1 0 0 0 0 8 2 1 6 0 0 0 2 23 1 0 0 0 0 9 3 1 6 0 0 0 3 25 1 0 0 0 0 10 4 1 1 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END $$$$ E0DS9Y -OEChem-05082103092D 47 45 0 0 0 0 0 0 0999 V2000 0.8660 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3660 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 4.4399 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9282 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4344 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8144 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 4.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0206 4.9768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 3.9030 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 2 0 0 0 0 1 5 2 0 0 0 0 2 17 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 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 10 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 12 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 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 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 17 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 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$ E0DW0Y -OEChem-05082103122D 47 47 0 1 0 0 0 0 0999 V2000 4.2690 -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 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 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 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 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 8.5991 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 2 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 7.7331 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 1 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 3.7320 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -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 3.4030 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1300 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 6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.0600 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 -4.5600 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 6.5380 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 3.3577 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 6.0010 2.3700 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 9.1360 1.5600 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 9.1360 4.5600 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 16 2 1 6 0 0 0 2 20 1 0 0 0 0 12 3 1 1 0 0 0 3 37 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 6 0 0 0 6 42 1 0 0 0 0 19 7 1 1 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 44 1 0 0 0 0 21 9 1 1 0 0 0 9 45 1 0 0 0 0 22 10 1 6 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 1 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0DY5F -OEChem-05082103102D 12 8 0 0 0 0 0 0 0999 V2000 3.0739 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.0739 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0739 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0DZ6I -OEChem-05082103162D 62 63 0 1 0 0 0 0 0999 V2000 11.1972 2.0000 0.0000 Ca 0 2 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 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.5000 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 7.7331 -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 2.5369 -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 6.0010 4.0000 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 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 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 O 0 5 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 -5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 O 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 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 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 7.7331 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 4.0000 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 9.4651 2.0000 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 4.5981 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 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 7.4040 0.1900 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 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.1900 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 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.8100 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 4.8059 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1900 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 6.5380 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 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 -4.6200 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 3.7320 -5.3100 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 3.7320 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 2 1 6 0 0 0 27 2 1 6 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 24 4 1 1 0 0 0 26 4 1 1 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 6 31 1 0 0 0 0 6 35 1 0 0 0 0 22 7 1 1 0 0 0 7 54 1 0 0 0 0 23 8 1 1 0 0 0 8 55 1 0 0 0 0 28 9 1 6 0 0 0 9 56 1 0 0 0 0 29 10 1 6 0 0 0 10 57 1 0 0 0 0 30 11 1 6 0 0 0 11 58 1 0 0 0 0 32 12 1 6 0 0 0 12 59 1 0 0 0 0 33 13 1 1 0 0 0 13 60 1 0 0 0 0 35 14 1 6 0 0 0 14 61 1 0 0 0 0 15 36 1 0 0 0 0 15 62 1 0 0 0 0 16 36 2 0 0 0 0 17 37 1 0 0 0 0 18 37 2 0 0 0 0 19 38 1 0 0 0 0 20 38 2 0 0 0 0 21 22 1 0 0 0 0 21 25 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 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 36 1 6 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 31 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 32 1 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 30 33 1 0 0 0 0 30 48 1 0 0 0 0 31 37 1 1 0 0 0 31 49 1 0 0 0 0 32 35 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 6 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 M CHG 3 1 2 17 -1 19 -1 M END $$$$ E0E1QN -OEChem-05082103152D 76 76 0 1 0 0 0 0 0999 V2000 5.0298 -7.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -5.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -6.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -7.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -8.0817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -8.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -5.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 6.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 9.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -6.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -6.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -8.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -8.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -8.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -5.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 1.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 2.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 3.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 5.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 0.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 5.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -1.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 6.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -2.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8030 8.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4045 7.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 7.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4917 8.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8811 10.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2611 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 57 1 0 0 0 0 9 3 1 6 0 0 0 3 62 1 0 0 0 0 10 4 1 6 0 0 0 4 65 1 0 0 0 0 5 12 1 0 0 0 0 5 28 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 6 0 0 0 8 9 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 12 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 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 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 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 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 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 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 21 56 1 0 0 0 0 22 24 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 23 61 1 0 0 0 0 24 26 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 66 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 26 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 27 71 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 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 M END $$$$ E0E1US -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0E2WT -OEChem-05082103052D 17 17 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ E0E4RQ -OEChem-05082103112D 43 44 0 1 0 0 0 0 0999 V2000 9.5396 4.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8462 -3.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 0.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 2.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6304 -4.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4026 0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 -1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 2.1943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8674 2.4731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3904 -1.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1274 3.7331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -3.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7084 1.1859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 -0.1013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8184 2.7821 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1825 -2.3666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1274 3.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4364 2.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 -3.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6274 1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6594 1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 -1.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5005 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7214 2.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7007 -1.9764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4066 2.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9297 -0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4918 4.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 -4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0168 1.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4154 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.7984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5868 -0.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1201 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 1.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4934 0.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 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 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 26 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 32 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 33 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 19 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 23 34 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 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$ E0E5OW -OEChem-05082103042D 14 14 0 0 0 0 0 0 0999 V2000 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0E5YC -OEChem-05082103082D 50 44 0 0 0 0 0 0 0999 V2000 2.8660 -2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 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 8.0622 -2.0000 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 5.4641 3.5000 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 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 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 3.7320 0.5000 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 4.5981 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 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 7.1962 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 -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 4.3860 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 6.0747 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6077 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 5.2520 -1.0826 0.0000 H 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 6.7287 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 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 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 29 2 0 0 0 0 13 30 2 0 0 0 0 14 31 2 0 0 0 0 15 32 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 21 1 0 0 0 0 17 24 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 27 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 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 20 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 23 28 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 31 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 32 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 1 6 -1 8 -1 9 -1 M CHG 2 10 -1 11 -1 M END $$$$ E0E6QG -OEChem-05082103112D 25 24 0 1 0 0 0 0 0999 V2000 6.0010 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$ E0E7EH -OEChem-05082103082D 19 20 0 0 0 0 0 0 0999 V2000 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0E7UZ -OEChem-05082103132D 21 19 0 1 0 0 0 0 0999 V2000 6.0010 2.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9441 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 2.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 2.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 8 6 1 6 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 M END $$$$ E0E8TN -OEChem-05082103132D 56 54 0 0 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 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 11.5263 0.7500 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 12.3923 0.2500 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 13.2583 0.7500 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 14.1244 0.2500 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 14.9904 0.7500 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 15.8564 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 16.7224 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 17.5885 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 18.4545 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 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 1 0 0 0 0 3 21 2 0 0 0 0 4 5 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 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 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 16 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 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 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 21 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 M CHG 2 1 1 2 -1 M END $$$$ E0E9EQ -OEChem-05082103152D 5 3 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0E9LJ -OEChem-05082103132D 9 6 0 1 0 0 0 0 0999 V2000 3.7320 -0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 8 -1 M END $$$$ E0EA8Y -OEChem-05082103112D 115112 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 4.7690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 5.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 4.2690 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6651 5.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 3.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6602 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9593 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8253 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6913 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2272 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5574 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7224 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4234 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4952 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4545 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1554 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3205 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0215 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8875 5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7908 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6569 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5229 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0588 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3578 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5608 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2238 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6947 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4918 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0899 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2928 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4579 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2549 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1588 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9559 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3239 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9627 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7598 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8219 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0249 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4607 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6636 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1899 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9870 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8909 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6880 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8530 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0560 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5540 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7569 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1617 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 5.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9220 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7190 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6229 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4200 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2956 4.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4965 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8765 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1975 4.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4244 5.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5775 5.8059 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 2 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 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 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 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 22 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 25 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 23 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 27 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 23 26 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 28 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 30 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 29 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 32 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 31 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 33 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 30 34 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 31 35 1 0 0 0 0 31 84 1 0 0 0 0 31 85 1 0 0 0 0 32 36 1 0 0 0 0 32 86 1 0 0 0 0 32 87 1 0 0 0 0 33 37 1 0 0 0 0 33 88 1 0 0 0 0 33 89 1 0 0 0 0 34 38 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 35 39 1 0 0 0 0 35 92 1 0 0 0 0 35 93 1 0 0 0 0 36 40 1 0 0 0 0 36 94 1 0 0 0 0 36 95 1 0 0 0 0 37 41 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 38 42 1 0 0 0 0 38 98 1 0 0 0 0 38 99 1 0 0 0 0 39 43 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40 44 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 41 45 1 0 0 0 0 41104 1 0 0 0 0 41105 1 0 0 0 0 42106 1 0 0 0 0 42107 1 0 0 0 0 43108 1 0 0 0 0 43109 1 0 0 0 0 44110 1 0 0 0 0 44111 1 0 0 0 0 44112 1 0 0 0 0 45113 1 0 0 0 0 45114 1 0 0 0 0 45115 1 0 0 0 0 M CHG 3 3 1 6 -1 9 -1 M END $$$$ E0EE4P -OEChem-05082103112D 33 34 0 1 0 0 0 0 0999 V2000 6.4011 -0.3903 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2122 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.3164 0.5127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -0.7986 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3709 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2067 1.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2278 0.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 -0.9767 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2619 0.5925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 0.4046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -0.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6783 -0.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 -2.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8896 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1488 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1376 -0.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7373 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4799 -1.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2798 -2.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 10 2 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 3 11 1 0 0 0 0 3 13 1 0 0 0 0 8 18 2 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 23 1 0 0 0 0 17 27 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 29 1 0 0 0 0 22 24 2 0 0 0 0 22 30 1 0 0 0 0 23 25 2 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 M CHG 3 1 2 4 -1 9 -1 M END $$$$ E0EI2M -OEChem-05082103152D 82 80 0 0 0 0 0 0 0999 V2000 0.5369 5.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9914 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8574 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7235 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5895 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5239 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7269 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5929 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3899 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2560 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4589 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3249 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1220 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8995 5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1264 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2795 6.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 74 1 0 0 0 0 2 27 2 0 0 0 0 3 28 1 0 0 0 0 3 80 1 0 0 0 0 4 29 1 0 0 0 0 4 81 1 0 0 0 0 5 30 1 0 0 0 0 5 82 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 31 1 0 0 0 0 6 32 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 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 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 23 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 24 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 26 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 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 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 M END $$$$ E0EO5N -OEChem-05082103142D 7 3 0 0 0 0 0 0 0999 V2000 3.4030 0.4050 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E0EW4S -OEChem-05082103052D 23 23 0 0 0 0 0 0 0999 V2000 3.7320 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0EZ1L -OEChem-05082103072D 25 24 0 0 0 0 0 0 0999 V2000 2.5369 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0F2PK -OEChem-05082103092D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0F6AN -OEChem-05082103042D 21 20 0 0 0 0 0 0 0999 V2000 4.7690 -1.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.7422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0F7XM -OEChem-05082103092D 29 29 0 1 0 0 0 0 0999 V2000 3.0000 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0F7YE -OEChem-05272104372D 81 80 0 1 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 7.1962 0.0000 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 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 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 3 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0000 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 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 6.3301 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0000 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 2.8660 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 21.9186 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 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 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 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 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 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 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 6.0747 -0.8923 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 3.3335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 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 2.3100 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0946 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 70 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 27 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 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 39 1 0 0 0 0 9 40 1 0 0 0 0 10 13 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 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 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 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 17 55 1 0 0 0 0 18 25 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 24 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 26 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 28 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 29 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 29 81 1 0 0 0 0 M END $$$$ E0F9IA -OEChem-05082103162D 43 42 0 1 0 0 0 0 0999 V2000 10.6603 0.5000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 O 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 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 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 7.1962 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 O 0 5 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 2.8660 -1.0000 0.0000 O 0 5 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 7.1962 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 1 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 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 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 6.3301 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6200 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 8.5991 1.3100 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 6.3301 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3800 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 4.9272 0.8100 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 6.0010 -3.8100 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 5.4641 3.1200 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 16 3 1 1 0 0 0 17 3 1 1 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 18 6 1 6 0 0 0 6 38 1 0 0 0 0 19 7 1 1 0 0 0 7 39 1 0 0 0 0 20 8 1 1 0 0 0 8 40 1 0 0 0 0 22 9 1 6 0 0 0 9 41 1 0 0 0 0 23 10 1 6 0 0 0 10 42 1 0 0 0 0 25 11 1 6 0 0 0 11 43 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 21 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 23 1 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 22 1 0 0 0 0 20 32 1 0 0 0 0 21 26 1 6 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 27 1 1 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M CHG 4 1 1 2 1 12 -1 14 -1 M END $$$$ E0F9TP -OEChem-05082103132D 43 41 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 2.0000 -0.0000 0.0000 Na 0 3 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 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 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 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 11.5263 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 12.3923 -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 13.2583 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 14.1244 -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 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -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 7.5947 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 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 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 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 15.3004 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6804 1.0369 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 3 17 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 10 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 12 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 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 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 17 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 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0FC7K -OEChem-04012200572D 74 73 0 1 0 0 0 0 0999 V2000 7.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 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 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.0000 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 18.4545 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 3 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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0000 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 -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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -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 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 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 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 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 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.4749 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 6.0747 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3626 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 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 2.3100 -0.5369 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 21 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 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 8 1 0 0 0 0 6 33 1 0 0 0 0 6 34 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 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 11 44 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 17 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 21 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 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 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 60 1 0 0 0 0 20 61 1 0 0 0 0 22 25 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 26 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 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 72 1 0 0 0 0 26 73 1 0 0 0 0 26 74 1 0 0 0 0 M END $$$$ E0FE5M -OEChem-05082103092D 57 55 0 0 0 0 0 0 0999 V2000 6.7821 0.0000 0.0000 Br 0 5 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 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 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 6.5991 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 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 8.3312 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 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 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 4.3996 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 4.8779 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 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 6.2006 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 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 7.9326 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2173 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0643 3.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8373 4.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 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 4 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 22 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 5 25 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 8 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 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 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 14 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 16 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 18 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 19 57 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0FG5H -OEChem-05082103092D 58 57 0 0 0 0 0 0 0999 V2000 10.0021 7.0785 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 6.5991 11.0369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 9.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 11.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 12.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 14.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 14.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 2 17 2 0 0 0 0 2 18 1 0 0 0 0 3 4 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 6 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 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 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 11 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 13 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 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 16 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 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 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 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 M CHG 2 1 -1 2 1 M END $$$$ E0FG5X -OEChem-05082103062D 15 14 0 0 0 0 0 0 0999 V2000 2.0000 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0FH4N -OEChem-05082103152D 66 64 0 1 0 0 0 0 0999 V2000 9.7942 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.2500 0.0000 Na 0 3 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 8.0622 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7500 0.0000 O 0 5 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 10.2942 2.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 4.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 3 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 -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 8.0622 -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 3.7320 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 7.1962 -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 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 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 8.0622 -2.7500 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 8.0622 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 5.4641 -4.2500 0.0000 C 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 6.6592 -0.9400 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 6.1181 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -1.8577 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 8.6728 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.3577 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 2.4675 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.3577 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 4.2881 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -2.7500 0.0000 H 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 8.6822 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.2869 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 2.3100 2.2131 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 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 22 1 0 0 0 0 3 16 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 7 27 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 23 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 24 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 21 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 28 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 29 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 26 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 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 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 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$ E0FJ3L -OEChem-05082103162D 20 10 0 0 0 0 0 0 0999 V2000 5.0311 3.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 5.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 6.3301 7.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 5.8971 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 3.7320 7.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 4.5981 6.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 5.5680 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 9.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 4 14 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 M CHG 5 5 3 6 3 16 -2 17 -2 18 -2 M END $$$$ E0FL9Q -OEChem-05082103092D 48 48 0 0 0 0 0 0 0999 V2000 2.8660 3.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.0242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.0308 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 3.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 3.5275 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6315 2.1601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 3.8882 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 3.7320 -0.5000 0.0000 N 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 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 3.7320 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 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.4792 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 3.7320 -3.5000 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 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 -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 5.4641 -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 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.1671 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 5.1350 -1.6900 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 5.1541 -4.0369 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 5.7741 -2.9631 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 2.8660 0.3800 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 17 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 21 1 0 0 0 0 5 19 1 0 0 0 0 5 48 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 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 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 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 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 38 1 0 0 0 0 29 37 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E0FM1S -OEChem-05082103062D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Zn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0FU3S -OEChem-05082103112D 124129 0 1 0 0 0 0 0999 V2000 7.9805 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2854 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8816 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0054 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0175 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8777 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9055 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7935 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8056 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9897 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8857 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7858 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7898 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1495 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8657 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0358 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8899 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0149 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9180 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4247 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9482 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7459 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5016 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1145 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2484 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3824 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3824 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9805 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5164 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8465 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1145 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9805 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2484 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6449 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4056 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9958 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0213 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4151 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2636 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3970 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4002 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5180 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9757 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4759 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7557 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4334 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7579 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4742 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6076 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1012 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9228 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9132 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8902 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9592 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3436 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0621 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2792 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4297 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0054 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6514 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6699 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7115 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5164 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8465 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7126 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2495 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5174 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7854 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 9.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 1 1 1 0 0 0 48 1 1 6 0 0 0 2 33 2 0 0 0 0 3 48 1 0 0 0 0 3 51 1 0 0 0 0 4 47 1 0 0 0 0 4106 1 0 0 0 0 5 47 2 0 0 0 0 49 6 1 6 0 0 0 53 6 1 1 0 0 0 50 7 1 1 0 0 0 7111 1 0 0 0 0 52 8 1 6 0 0 0 8112 1 0 0 0 0 9 53 1 0 0 0 0 9 57 1 0 0 0 0 10 54 1 0 0 0 0 10116 1 0 0 0 0 11 54 2 0 0 0 0 55 12 1 6 0 0 0 12118 1 0 0 0 0 56 13 1 1 0 0 0 13119 1 0 0 0 0 58 14 1 6 0 0 0 14120 1 0 0 0 0 15 59 1 0 0 0 0 15121 1 0 0 0 0 16 59 2 0 0 0 0 17122 1 0 0 0 0 17123 1 0 0 0 0 17124 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 34 1 1 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 30 1 0 0 0 0 19 36 1 1 0 0 0 20 33 1 0 0 0 0 20 60 1 6 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 21 37 1 6 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 61 1 6 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 32 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 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 38 2 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 66 1 1 0 0 0 28 31 1 0 0 0 0 28 40 1 0 0 0 0 28 45 1 1 0 0 0 29 31 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 35 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 32 35 1 0 0 0 0 32 73 1 0 0 0 0 33 38 1 0 0 0 0 34 74 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 35 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 39 41 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 44 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 44 1 0 0 0 0 41 46 1 6 0 0 0 41 47 1 0 0 0 0 42 90 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 96 1 0 0 0 0 44 97 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 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 48 49 1 0 0 0 0 48104 1 0 0 0 0 49 50 1 0 0 0 0 49105 1 0 0 0 0 50 52 1 0 0 0 0 50107 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 1 0 0 0 51108 1 0 0 0 0 52109 1 0 0 0 0 53 55 1 0 0 0 0 53110 1 0 0 0 0 55 56 1 0 0 0 0 55113 1 0 0 0 0 56 58 1 0 0 0 0 56114 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 1 0 0 0 57115 1 0 0 0 0 58117 1 0 0 0 0 M END $$$$ E0FW3H -OEChem-05082103152D 16 13 0 0 0 0 0 0 0999 V2000 6.0010 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 5.1350 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 M END $$$$ E0FY2S -OEChem-05082103082D 36 33 0 1 0 0 0 0 0999 V2000 9.4651 2.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5991 2.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3100 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 2.1900 0.0000 N 0 0 3 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 6.0010 1.1900 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 5.1350 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 21 2 0 0 0 0 10 22 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 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 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 25 1 0 0 0 0 14 26 1 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 20 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M CHG 4 1 1 2 1 7 -1 8 -1 M END $$$$ E0G0VL -OEChem-05082103122D 12 11 0 0 0 0 0 0 0999 V2000 2.5369 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0G1YW -OEChem-05082103132D 6 4 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0G2XR -OEChem-05082103082D 173172 0 0 0 0 0 0 0999 V2000 20.1865 7.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 5.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 8.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.7500 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 14.1244 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.7500 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 8.0622 7.2500 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 26.2487 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.2500 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 7.1962 6.7500 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 25.3827 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 6.7500 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 11.5263 -7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 7.2500 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 10.6603 -8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -4.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 6.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 2.1423 0.0000 H 0 0 0 0 0 0 0 0 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58 61 1 0 0 0 0 58158 1 0 0 0 0 58159 1 0 0 0 0 59 62 1 0 0 0 0 59160 1 0 0 0 0 59161 1 0 0 0 0 60 63 1 0 0 0 0 60162 1 0 0 0 0 60163 1 0 0 0 0 61 64 1 0 0 0 0 61164 1 0 0 0 0 61165 1 0 0 0 0 62 65 1 0 0 0 0 62166 1 0 0 0 0 62167 1 0 0 0 0 63 66 1 0 0 0 0 63168 1 0 0 0 0 63169 1 0 0 0 0 64 67 1 0 0 0 0 64170 1 0 0 0 0 64171 1 0 0 0 0 65 68 1 0 0 0 0 65172 1 0 0 0 0 65173 1 0 0 0 0 66174 1 0 0 0 0 66175 1 0 0 0 0 66176 1 0 0 0 0 67177 1 0 0 0 0 67178 1 0 0 0 0 67179 1 0 0 0 0 68180 1 0 0 0 0 68181 1 0 0 0 0 68182 1 0 0 0 0 M END $$$$ E0G6FR -OEChem-05082103132D 65 64 0 0 0 0 0 0 0999 V2000 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 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 14.6613 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 13.7953 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.2500 0.0000 C 0 0 0 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 17.2594 -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 18.1254 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 18.9914 -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 19.8574 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 20.7235 -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 21.5895 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 6.0010 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 3.4030 -0.2500 0.0000 C 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 15.1288 -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 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 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 9.0666 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -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 8.9976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8995 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2795 0.7869 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 7.2656 -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 5.6025 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 3.8705 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 3.8015 -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 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 65 1 0 0 0 0 4 5 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 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 7 31 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 12 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 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 16 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 19 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 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 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 23 1 0 0 0 0 22 61 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 M END $$$$ E0G6HN -OEChem-05082103142D 79 78 0 1 0 0 0 0 0999 V2000 21.0526 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.4050 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 14.1244 0.0950 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 14.9904 -0.4050 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 15.8564 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 16.7224 -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 17.5885 0.0950 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 18.4545 -0.4050 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 19.3205 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 20.1865 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.6506 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 0.5699 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 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 0.5699 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 21.5201 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2477 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 -0.2150 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 26 2 0 0 0 0 3 28 1 0 0 0 0 3 78 1 0 0 0 0 4 29 1 0 0 0 0 4 79 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 25 1 0 0 0 0 23 66 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 24 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 25 72 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 M END $$$$ E0G7WT -OEChem-05082103122D 83 82 0 1 0 0 0 0 0999 V2000 14.9904 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 6.3301 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 19.3205 -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 5.4641 -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 18.4545 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -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 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -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 3.7320 -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 16.7224 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 2.8660 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 25.3827 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 15.8564 -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 14.1244 -0.2500 0.0000 C 0 0 3 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 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 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 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 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 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 8.4607 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 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 22.3861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -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 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 17.1899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -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 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 10.1928 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 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 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 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 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 25.6927 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0727 0.7869 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 14.1244 0.3700 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 13.5044 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 29 1 0 0 0 0 2 28 1 0 0 0 0 2 30 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 10 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 11 1 0 0 0 0 7 38 1 0 0 0 0 7 39 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 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 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 16 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 17 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 18 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 19 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 20 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 21 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 22 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 23 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 24 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 27 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 25 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 28 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 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 31 83 1 0 0 0 0 M END $$$$ E0G8XK -OEChem-05272104372D 16 16 0 0 0 0 0 0 0999 V2000 2.0000 0.4400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0G9PF -OEChem-05082103112D 26 27 0 1 0 0 0 0 0999 V2000 5.1844 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4951 1.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 0.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2382 -0.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1844 0.8080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2872 -0.8058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7680 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4736 1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 1.3533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 -1.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 0.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 -0.4115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 0.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 0.4181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 -0.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 2.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 2.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -1.3583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 -2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -2.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 7 3 1 1 0 0 0 3 11 1 0 0 0 0 8 4 1 6 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 1 0 0 0 6 8 1 0 0 0 0 6 14 1 1 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0GG0Q -OEChem-04012200532D 121120 0 0 0 0 0 0 0999 V2000 28.5177 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 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 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 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 35.4459 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5799 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7139 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0440 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8478 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9100 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.7760 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6421 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5081 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3741 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6517 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0536 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 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 -0.2500 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 16.3933 0.2500 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 13.7953 -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 11.1972 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 8.5991 -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 6.0010 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 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8444 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.0474 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.9134 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7105 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1813 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.9784 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.5765 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.7794 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.1124 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.3153 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.6454 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.4425 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.4493 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2464 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3085 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.5115 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3803 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5833 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.3775 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.1746 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.7172 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5143 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.0406 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.2435 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6483 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.8512 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.1096 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.9066 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9852 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7823 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.6841 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.9110 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.0641 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2531 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0502 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1842 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3871 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4521 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6551 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7890 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5861 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 0.7249 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 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 9.0666 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 8.9976 -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 7.2656 -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 5.6025 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 3.8705 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 3.8015 -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 1 26 1 0 0 0 0 1 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11121 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 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 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 18 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 19 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 20 1 0 0 0 0 18 60 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 19 63 1 0 0 0 0 20 22 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 23 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 24 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 70 1 0 0 0 0 23 71 1 0 0 0 0 24 26 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 27 1 0 0 0 0 25 74 1 0 0 0 0 25 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 29 1 0 0 0 0 28 81 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 30 31 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 31 87 1 0 0 0 0 31 88 1 0 0 0 0 32 33 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 34 35 1 0 0 0 0 34 93 1 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 37 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38 39 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 40 41 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 42 43 1 0 0 0 0 42109 1 0 0 0 0 42110 1 0 0 0 0 43111 1 0 0 0 0 43112 1 0 0 0 0 44 45 1 0 0 0 0 44113 1 0 0 0 0 44114 1 0 0 0 0 45115 1 0 0 0 0 45116 1 0 0 0 0 46 47 1 0 0 0 0 46117 1 0 0 0 0 46118 1 0 0 0 0 47119 1 0 0 0 0 47120 1 0 0 0 0 M END $$$$ E0GM2D -OEChem-05082103042D 4 3 0 0 0 0 0 0 0999 V2000 2.0000 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E0GT5A -OEChem-05082103092D 18 18 0 0 0 0 0 0 0999 V2000 4.5981 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0GY0V -OEChem-05082103162D 41 41 0 0 0 0 0 0 0999 V2000 3.7320 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4050 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -2.2710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0950 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 7.1962 1.5950 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 6.3301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 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 4.5981 -1.9050 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 5.4641 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.1297 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 -2.9050 0.0000 C 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 6.3301 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 2.9279 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 5.4641 -5.0250 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 4.0611 4.4050 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 7 2 0 0 0 0 1 17 1 0 0 0 0 4 18 1 0 0 0 0 8 29 1 0 0 0 0 8 41 1 0 0 0 0 9 29 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 30 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 23 1 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 23 33 1 0 0 0 0 24 25 2 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 26 27 2 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0H0HB -OEChem-05082103102D 1 0 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 M END $$$$ E0H0KW -OEChem-05082103042D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END $$$$ E0H0OT -OEChem-05082103072D 13 12 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0H2RX -OEChem-05082103102D 67 66 0 1 0 0 0 0 0999 V2000 17.5885 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4050 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 10.6603 0.0950 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 11.5263 -0.4050 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 12.3923 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 13.2583 -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 14.1244 0.0950 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 14.9904 -0.4050 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 15.8564 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 16.7224 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.1865 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 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 14.5919 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.5699 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 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 66 1 0 0 0 0 4 25 1 0 0 0 0 4 67 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 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 7 31 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 12 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 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 16 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 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 23 24 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 M END $$$$ E0H2SC -OEChem-05082103052D 3 2 0 0 0 0 0 0 0999 V2000 2.5369 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0H4PD -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0H6BT -OEChem-05082103102D 40 41 0 0 0 0 0 0 0999 V2000 4.5981 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2475 0.8552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4806 -2.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5000 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 2.0000 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 -1.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7018 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 -1.7262 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 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0208 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 6.3580 1.5347 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 10.7018 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6951 -2.5942 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 11.1984 -1.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6951 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1628 0.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0138 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -3.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8184 -1.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0030 -3.1361 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 23 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 26 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 13 15 2 0 0 0 0 13 20 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 32 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 23 2 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 33 1 0 0 0 0 23 29 1 0 0 0 0 24 34 1 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 36 1 0 0 0 0 28 31 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 2 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E0HK3J -OEChem-05082103162D 40 41 0 0 0 0 0 0 0999 V2000 6.9641 -2.2710 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 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 4.5981 -1.9050 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 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 4.5981 -2.9050 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 7 28 1 0 0 0 0 7 40 1 0 0 0 0 8 28 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 20 2 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 29 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 22 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 30 1 0 0 0 0 20 26 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 32 1 0 0 0 0 23 24 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0HL7X -OEChem-05082103102D 5 4 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Sn 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 M END $$$$ E0HP7B -OEChem-05082103092D 47 46 0 0 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 N 0 3 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 5.4641 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 4.5981 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 3.7320 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 9.7942 -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 11.5263 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 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 13.2583 -0.0000 0.0000 C 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 6.7287 -0.4749 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 5.0656 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 4.1996 -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 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 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 9.3267 0.9749 0.0000 H 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 9.3957 -0.4749 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 11.0588 0.9749 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 11.1278 -0.4749 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 2.9030 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.5560 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 11.9938 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 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 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 12 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 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 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 16 47 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0HY7L -OEChem-05082103082D 68 66 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 7.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 6.7130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.3660 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 7.4651 7.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 7.2130 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 8.3312 6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 5.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 5.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 7.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 5.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 5.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 6.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 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 7 2 0 0 0 0 1 8 2 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 65 1 0 0 0 0 4 26 1 0 0 0 0 4 66 1 0 0 0 0 5 27 1 0 0 0 0 5 67 1 0 0 0 0 6 68 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 11 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 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 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 18 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 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 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 1 0 0 0 0 22 53 1 0 0 0 0 22 54 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 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 M END $$$$ E0I1VX -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0I3RQ -OEChem-05082103062D 17 16 0 1 0 0 0 0 0999 V2000 6.0010 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 1 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 6 4 1 6 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0I4EJ -OEChem-05082103132D 47 49 0 1 0 0 0 0 0999 V2000 3.7981 -0.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -4.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -1.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -1.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.5635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5301 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7981 1.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6641 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1407 -0.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 0.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 1.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4087 2.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 3.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 1.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.4828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -2.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 4.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 6 0 0 0 1 37 1 0 0 0 0 13 2 1 1 0 0 0 2 38 1 0 0 0 0 14 3 1 6 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 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 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 14 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 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 17 22 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 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 26 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 M END $$$$ E0I4VY -OEChem-05082103142D 167166 0 0 0 0 0 0 0999 V2000 16.7224 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 2.0600 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 12.3923 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 1.5600 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 7.1962 -7.4400 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 8.0622 -6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 6.0600 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 6.3301 -6.9400 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 8.9282 -7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 2.0600 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 11.5263 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.4400 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 9.7942 -6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.9400 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 11.5263 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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9196 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7687 8.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.3702 7.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -7.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.1568 7.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3837 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.5368 8.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -6.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -7.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 55 1 0 0 0 0 1 58 1 0 0 0 0 2 56 1 0 0 0 0 2 59 1 0 0 0 0 3 57 1 0 0 0 0 3 60 1 0 0 0 0 4 58 2 0 0 0 0 5 59 2 0 0 0 0 6 60 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 64 1 0 0 0 0 7 65 1 0 0 0 0 8 16 1 0 0 0 0 8 66 1 0 0 0 0 8 67 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 70 1 0 0 0 0 10 71 1 0 0 0 0 11 31 1 0 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 23 1 0 0 0 0 12 74 1 0 0 0 0 12 75 1 0 0 0 0 13 24 1 0 0 0 0 13 76 1 0 0 0 0 13 77 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 78 1 0 0 0 0 14 79 1 0 0 0 0 15 26 1 0 0 0 0 15 80 1 0 0 0 0 15 81 1 0 0 0 0 16 34 1 0 0 0 0 16 82 1 0 0 0 0 16 83 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 17 84 1 0 0 0 0 17 85 1 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 18 86 1 0 0 0 0 18 87 1 0 0 0 0 19 29 1 0 0 0 0 19 88 1 0 0 0 0 19 89 1 0 0 0 0 20 30 1 0 0 0 0 20 90 1 0 0 0 0 20 91 1 0 0 0 0 21 32 1 0 0 0 0 21 92 1 0 0 0 0 21 93 1 0 0 0 0 22 33 1 0 0 0 0 22 94 1 0 0 0 0 22 95 1 0 0 0 0 23 35 1 0 0 0 0 23 96 1 0 0 0 0 23 97 1 0 0 0 0 24 36 1 0 0 0 0 24 98 1 0 0 0 0 24 99 1 0 0 0 0 25 37 1 0 0 0 0 25100 1 0 0 0 0 25101 1 0 0 0 0 26 38 1 0 0 0 0 26102 1 0 0 0 0 26103 1 0 0 0 0 27 39 1 0 0 0 0 27104 1 0 0 0 0 27105 1 0 0 0 0 28 40 1 0 0 0 0 28106 1 0 0 0 0 28107 1 0 0 0 0 29 41 1 0 0 0 0 29108 1 0 0 0 0 29109 1 0 0 0 0 30 42 1 0 0 0 0 30110 1 0 0 0 0 30111 1 0 0 0 0 31 43 1 0 0 0 0 31112 1 0 0 0 0 31113 1 0 0 0 0 32 44 1 0 0 0 0 32114 1 0 0 0 0 32115 1 0 0 0 0 33 45 1 0 0 0 0 33116 1 0 0 0 0 33117 1 0 0 0 0 34 46 1 0 0 0 0 34118 1 0 0 0 0 34119 1 0 0 0 0 35 51 1 0 0 0 0 35120 1 0 0 0 0 35121 1 0 0 0 0 36 52 1 0 0 0 0 36122 1 0 0 0 0 36123 1 0 0 0 0 37 47 1 0 0 0 0 37124 1 0 0 0 0 37125 1 0 0 0 0 38 48 1 0 0 0 0 38126 1 0 0 0 0 38127 1 0 0 0 0 39 49 1 0 0 0 0 39128 1 0 0 0 0 39129 1 0 0 0 0 40 50 1 0 0 0 0 40130 1 0 0 0 0 40131 1 0 0 0 0 41 53 1 0 0 0 0 41132 1 0 0 0 0 41133 1 0 0 0 0 42 54 1 0 0 0 0 42134 1 0 0 0 0 42135 1 0 0 0 0 43 58 1 0 0 0 0 43136 1 0 0 0 0 43137 1 0 0 0 0 44 59 1 0 0 0 0 44138 1 0 0 0 0 44139 1 0 0 0 0 45 60 1 0 0 0 0 45140 1 0 0 0 0 45141 1 0 0 0 0 46 47 2 0 0 0 0 46142 1 0 0 0 0 47143 1 0 0 0 0 48 61 1 0 0 0 0 48144 1 0 0 0 0 48145 1 0 0 0 0 49 62 1 0 0 0 0 49146 1 0 0 0 0 49147 1 0 0 0 0 50 63 1 0 0 0 0 50148 1 0 0 0 0 50149 1 0 0 0 0 51 53 2 0 0 0 0 51150 1 0 0 0 0 52 54 2 0 0 0 0 52151 1 0 0 0 0 53152 1 0 0 0 0 54153 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 55154 1 0 0 0 0 56155 1 0 0 0 0 56156 1 0 0 0 0 57157 1 0 0 0 0 57158 1 0 0 0 0 61159 1 0 0 0 0 61160 1 0 0 0 0 61161 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 M END $$$$ E0I5TO -OEChem-05082103112D 20 20 0 0 0 0 0 0 0999 V2000 2.8660 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0I5ZK -OEChem-05082103112D 38 39 0 0 0 0 0 0 0999 V2000 2.0000 0.5950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5950 0.0000 N 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 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9050 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 3.7320 0.5950 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 5.4641 -1.4050 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 2.8660 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4050 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 2.8660 -0.9050 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 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.4419 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 4.2690 2.9050 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 1 17 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 16 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 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 16 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 25 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$ E0I6EI -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0I6YD -OEChem-05082103122D 65 64 0 0 0 0 0 0 0999 V2000 16.7224 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.2500 0.0000 O 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 -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 6.3301 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 5.4641 -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 4.5981 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 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -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 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 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 14.9904 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 17.5885 -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 17.5885 -1.2500 0.0000 C 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 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 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 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 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 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 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 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 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 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 11.9938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.7249 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 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 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 3.4860 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 2.2460 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9685 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 -1.2500 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 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 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 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 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 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 15 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 18 1 0 0 0 0 14 46 1 0 0 0 0 15 16 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 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 21 22 1 0 0 0 0 21 23 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 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 M END $$$$ E0I8GZ -OEChem-05082103142D 98 99 0 1 0 0 0 0 0999 V2000 5.8671 0.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 2.8933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.5926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 -0.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.3055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 1.8933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6070 1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5123 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2555 1.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2065 0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9497 1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9007 1.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6439 1.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5949 1.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3381 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2891 1.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0323 2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9833 2.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7265 2.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6775 2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4207 3.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3717 2.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1149 3.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0659 3.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8091 3.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 0.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 -0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 2.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5465 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7669 1.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9154 0.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 0.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2407 1.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4611 1.8165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6097 0.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3893 0.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9349 2.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1553 2.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3039 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0835 1.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6291 2.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8495 2.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9981 1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7777 1.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3233 3.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5437 2.8968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6923 1.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4719 1.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0175 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2379 3.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3865 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1661 2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9321 3.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0807 2.3789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8603 2.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4059 4.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6263 3.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7749 2.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5545 2.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2239 3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2698 4.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3942 4.4163 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 13 2 1 6 0 0 0 17 2 1 6 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 14 4 1 6 0 0 0 4 55 1 0 0 0 0 15 5 1 1 0 0 0 5 56 1 0 0 0 0 6 19 1 0 0 0 0 6 25 1 0 0 0 0 18 7 1 6 0 0 0 7 59 1 0 0 0 0 20 8 1 1 0 0 0 8 60 1 0 0 0 0 21 9 1 6 0 0 0 9 61 1 0 0 0 0 10 23 1 0 0 0 0 10 62 1 0 0 0 0 11 24 1 0 0 0 0 11 65 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 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 16 23 1 6 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 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 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 22 24 1 1 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 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 26 27 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 28 29 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 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 34 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 35 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 37 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 38 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 39 1 0 0 0 0 38 88 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 41 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 42 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 M END $$$$ E0I9BA -OEChem-05082103112D 6 4 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 3 3 -1 4 -1 5 -1 M END $$$$ E0I9JZ -OEChem-05082103062D 39 40 0 0 0 0 0 0 0999 V2000 4.6815 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.9362 5.2019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 5.2261 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4061 5.2261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9362 3.2019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 4.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 3.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 4.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 5.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6022 3.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 3.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3343 4.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 6.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 4.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 6.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 5.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 5.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1380 3.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 3.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8724 4.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6422 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 6.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4601 6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 6.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 4.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 6.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4123 6.8461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7899 6.2285 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 3 10 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 8 2 0 0 0 0 5 9 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 13 1 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 16 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 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 18 29 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 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 M CHG 2 1 -1 3 1 M END $$$$ E0IB8Z -OEChem-05082103112D 85 86 0 1 0 0 0 0 0999 V2000 6.5985 0.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9367 3.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 2.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 3.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3091 3.7377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8358 -2.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 3.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5382 0.5886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1538 1.3766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5946 2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6334 1.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -0.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -2.3511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -1.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3262 -0.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 2.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6831 2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 -1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6825 2.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6359 4.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9022 -1.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 2.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 1.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2100 2.2812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 1.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 -0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6173 0.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3061 2.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 3.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6609 1.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3022 2.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2185 4.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8480 5.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0533 5.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -4.3880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -3.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1345 -1.8332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4771 -1.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 2.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 2.1799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 1.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 2.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 2.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 20 2 1 6 0 0 0 24 2 1 6 0 0 0 3 24 1 0 0 0 0 3 28 1 0 0 0 0 21 4 1 6 0 0 0 4 32 1 0 0 0 0 22 5 1 1 0 0 0 5 33 1 0 0 0 0 25 6 1 6 0 0 0 6 34 1 0 0 0 0 26 7 1 1 0 0 0 7 35 1 0 0 0 0 27 8 1 6 0 0 0 8 36 1 0 0 0 0 9 29 1 0 0 0 0 9 37 1 0 0 0 0 10 30 1 0 0 0 0 10 40 1 0 0 0 0 11 31 1 0 0 0 0 11 43 1 0 0 0 0 12 32 2 0 0 0 0 13 33 2 0 0 0 0 14 34 2 0 0 0 0 15 35 2 0 0 0 0 16 36 2 0 0 0 0 17 37 2 0 0 0 0 18 40 2 0 0 0 0 19 43 2 0 0 0 0 20 21 1 0 0 0 0 20 29 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 30 1 6 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 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 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 28 31 1 1 0 0 0 28 55 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 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 62 1 0 0 0 0 38 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 40 46 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 43 47 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 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 46 81 1 0 0 0 0 46 82 1 0 0 0 0 47 83 1 0 0 0 0 47 84 1 0 0 0 0 47 85 1 0 0 0 0 M END $$$$ E0IC9H -OEChem-05082103092D 87 89 0 1 0 0 0 0 0999 V2000 5.6335 -3.4170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6688 4.1510 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 -1.7015 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 -4.7438 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.9904 -2.2939 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4598 -4.4018 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6487 -3.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 -2.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 5.0907 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7292 4.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6085 3.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 -2.4676 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.1288 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5967 -2.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 0.9132 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.7656 -1.4564 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8263 -2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -1.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -1.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 -1.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -3.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4084 -2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5256 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8828 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1532 -1.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4387 -2.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 -0.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0924 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 2.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0663 -3.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 2.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7352 -1.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 3.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7200 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3504 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -5.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4192 0.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 3.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0620 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 0.4295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 0.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1076 0.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 -0.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 -2.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8069 -1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1362 -0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -2.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 0.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9454 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 -3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7546 -0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8373 -3.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -0.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -3.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 1.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 2.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4837 -2.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 -3.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6489 -3.3742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 2.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 -1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 0.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0359 1.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -4.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8873 -4.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4843 -5.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.9903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6313 1.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 3.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6726 0.1119 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 37 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 46 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 47 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 36 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 37 1 0 0 0 0 24 38 2 0 0 0 0 25 39 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 40 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 33 2 0 0 0 0 31 66 1 0 0 0 0 32 34 2 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 41 2 0 0 0 0 35 43 1 0 0 0 0 36 42 2 0 0 0 0 36 44 1 0 0 0 0 37 45 2 0 0 0 0 38 48 1 0 0 0 0 38 70 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 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 47 1 0 0 0 0 42 78 1 0 0 0 0 43 50 2 0 0 0 0 43 79 1 0 0 0 0 44 51 2 0 0 0 0 44 80 1 0 0 0 0 45 49 1 0 0 0 0 45 81 1 0 0 0 0 46 52 2 0 0 0 0 47 53 2 0 0 0 0 48 49 2 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 53 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 53 87 1 0 0 0 0 M CHG 6 4 1 5 1 6 -1 9 -1 12 -1 16 1 M END $$$$ E0IO1S -OEChem-05082103082D 21 18 0 0 0 0 0 0 0999 V2000 3.0981 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 4 1 1 2 1 6 -1 7 -1 M END $$$$ E0IS1Z -OEChem-05082103052D 16 16 0 0 0 0 0 0 0999 V2000 2.0000 0.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0IV6X -OEChem-05082103082D 6 3 0 0 0 0 0 0 0999 V2000 5.4641 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0IX9P -OEChem-05082103082D 29 29 0 0 0 0 0 0 0999 V2000 3.0680 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 8 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 M END $$$$ E0IZ4S -OEChem-05082103152D 8 5 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 3.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3166 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0J0IH -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0J0LX -OEChem-05082103112D 40 40 0 0 0 0 0 0 0999 V2000 2.8660 0.4330 0.0000 O 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 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0670 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 5.4641 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5670 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 5.5981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5670 0.0000 C 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 4.5981 -2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 1.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 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 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 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 6 1 0 0 0 0 5 8 2 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 15 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 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 15 16 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 END $$$$ E0J4HK -OEChem-05082103092D 83 86 0 1 0 0 0 0 0999 V2000 9.7942 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 8.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7942 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9641 -7.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -5.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 N 0 3 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 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 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 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 8.9282 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 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 6.3301 3.0000 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 5.4641 -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 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 5.4641 -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 3.7320 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 6.3301 -3.0000 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 4.5981 -5.0000 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 2.8660 -5.0000 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 4.5981 -6.0000 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 1.0000 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 2.8660 -6.0000 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 3.7320 -6.5000 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 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 7.8501 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 3.8923 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 9.5388 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.0826 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 5.8626 -3.9750 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 7.7331 1.1900 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 3.1951 -1.8100 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 6.3301 0.3800 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 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.4631 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 5.1350 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.6900 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 0.3800 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 2.3291 -6.3100 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 3.7320 -7.1200 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 1.4631 2.8100 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 38 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 39 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 23 2 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 15 26 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 27 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 33 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 34 2 0 0 0 0 21 36 1 0 0 0 0 22 35 2 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 23 57 1 0 0 0 0 24 28 2 0 0 0 0 24 58 1 0 0 0 0 25 29 2 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 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 40 2 0 0 0 0 31 41 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 34 38 1 0 0 0 0 34 71 1 0 0 0 0 35 39 1 0 0 0 0 35 72 1 0 0 0 0 36 42 2 0 0 0 0 36 73 1 0 0 0 0 37 43 2 0 0 0 0 37 74 1 0 0 0 0 38 44 2 0 0 0 0 39 45 2 0 0 0 0 40 46 1 0 0 0 0 40 75 1 0 0 0 0 41 47 2 0 0 0 0 41 76 1 0 0 0 0 42 44 1 0 0 0 0 42 77 1 0 0 0 0 43 45 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 45 80 1 0 0 0 0 46 48 2 0 0 0 0 46 81 1 0 0 0 0 47 48 1 0 0 0 0 47 82 1 0 0 0 0 48 83 1 0 0 0 0 M CHG 4 3 1 4 -1 7 -1 11 1 M END $$$$ E0JA5E -OEChem-05082103082D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0JB3K -OEChem-05082103052D 15 14 0 0 0 0 0 0 0999 V2000 4.7690 -1.1830 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ E0JB7T -OEChem-05082103152D 74 72 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 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 8.9282 1.2500 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 6.3301 -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 5 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 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 14.9904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 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 14.1244 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 13.2583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 11.5263 -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 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 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 23.6506 -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 7.1962 0.2500 0.0000 C 0 0 3 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 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 3.7320 0.2500 0.0000 C 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 15.4579 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 17.1210 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 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 18.8530 -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 13.7258 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 18.9220 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 13.6569 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 20.6540 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 11.9248 -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 22.3171 -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 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 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 10.1928 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3406 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1876 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9606 0.2869 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 7.8162 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.2500 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 3.9781 -1.2500 0.0000 H 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 5.2181 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 25 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 31 1 0 0 0 0 7 31 2 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 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 13 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 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 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 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 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 26 27 1 0 0 0 0 26 28 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 29 30 1 0 0 0 0 29 31 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 30 74 1 0 0 0 0 M CHG 2 1 1 6 -1 M END $$$$ E0JD3S -OEChem-05082103142D 96 97 0 0 0 0 0 0 0999 V2000 10.7942 7.7500 0.0000 C 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 10.7942 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -9.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -8.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 7.7500 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 9.7942 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 6.8840 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 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 6.2500 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 13.3923 7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -7.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 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 11.6603 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 4.2500 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 9.9282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 1.7500 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 9.9282 1.2500 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 8.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0588 9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -9.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7383 9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -9.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 -8.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7573 7.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9842 6.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 6.5740 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 3.0369 -6.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -6.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -7.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -5.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 6.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 7.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -7.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -6.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -6.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2573 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9703 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.5600 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 10.4651 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6182 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6592 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 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 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 43 1 0 0 0 0 4 44 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 10 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 2 0 0 0 0 17 65 1 0 0 0 0 18 22 2 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 75 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 26 80 1 0 0 0 0 27 29 1 0 0 0 0 27 81 1 0 0 0 0 28 30 1 0 0 0 0 28 82 1 0 0 0 0 29 31 2 0 0 0 0 29 83 1 0 0 0 0 30 32 2 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 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 39 40 2 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 M END $$$$ E0JP9O -OEChem-05082103042D 26 25 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 M END $$$$ E0JV1G -OEChem-05082103162D 20 20 0 1 0 0 0 0 0999 V2000 5.0298 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 1.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 6 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0JW9W -OEChem-05082103052D 29 30 0 0 0 0 0 0 0999 V2000 2.7369 0.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3441 2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -0.2208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.8780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 -0.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -2.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9187 -2.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -1.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 1.9627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7485 2.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 2.3028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0JZ8Z -OEChem-05082103062D 11 10 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 M END $$$$ E0K0OU -OEChem-05082103072D 39 38 0 0 0 0 0 0 0999 V2000 5.9641 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2321 0.0000 C 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 3.9641 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2321 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 3.9641 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8564 0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 -2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -0.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 2.4220 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 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 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 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 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 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 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 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 18 34 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 19 39 1 0 0 0 0 M END $$$$ E0K1RU -OEChem-05082103072D 59 58 0 0 0 0 0 0 0999 V2000 2.8660 0.7500 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 11.5263 0.7500 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 12.3923 0.2500 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 13.2583 0.7500 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 14.1244 0.2500 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 14.9904 0.7500 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 15.8564 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 16.7224 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 17.5885 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 18.4545 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 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7645 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2869 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 20 2 0 0 0 0 3 4 1 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 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 7 31 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 12 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 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 16 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 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 19 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 M END $$$$ E0K2KU -OEChem-05082103082D 24 25 0 1 0 0 0 0 0999 V2000 5.8958 -1.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.7320 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 1.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$ E0K5HA -OEChem-05272104372D 31 29 0 0 0 0 0 0 0999 V2000 4.0010 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4030 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 5.3059 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 5.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 4.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 1.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9641 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 1.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 5 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 M END $$$$ E0K5VH -OEChem-05082103122D 104103 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 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 22.7846 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.7500 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 25.3827 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 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 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 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 9.7942 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 10.6603 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 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 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 5.4641 0.7500 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 28.8468 0.2500 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 4.5981 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 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 14.1244 0.7500 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 30.5788 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 0.7500 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 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.7549 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9818 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1349 1.2869 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 1 31 1 0 0 0 0 1 34 1 0 0 0 0 2 34 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 6 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 8 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 12 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 13 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 15 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 18 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 19 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 17 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 20 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 1 0 0 0 0 17 65 1 0 0 0 0 17 66 1 0 0 0 0 18 22 1 0 0 0 0 18 67 1 0 0 0 0 18 68 1 0 0 0 0 19 23 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 20 24 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 25 1 0 0 0 0 21 73 1 0 0 0 0 21 74 1 0 0 0 0 22 27 1 0 0 0 0 22 75 1 0 0 0 0 22 76 1 0 0 0 0 23 28 1 0 0 0 0 23 77 1 0 0 0 0 23 78 1 0 0 0 0 24 26 1 0 0 0 0 24 79 1 0 0 0 0 24 80 1 0 0 0 0 25 29 1 0 0 0 0 25 81 1 0 0 0 0 25 82 1 0 0 0 0 26 30 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 31 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 28 32 1 0 0 0 0 28 87 1 0 0 0 0 28 88 1 0 0 0 0 29 33 1 0 0 0 0 29 89 1 0 0 0 0 29 90 1 0 0 0 0 30 34 1 0 0 0 0 30 91 1 0 0 0 0 30 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 35 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 36 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 M END $$$$ E0K7ZB -OEChem-05082103052D 6 5 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ E0K9AR -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0KF3M -OEChem-05082103142D 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 $$$$ E0KM8B -OEChem-05082103142D 33 30 0 0 0 0 0 0 0999 V2000 3.4399 6.5749 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 5.2089 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 4.8429 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.7690 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.4030 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.0369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 6.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 5.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 7.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 5.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 4.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 5.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 7.3849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 7.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 6.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6159 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8429 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8429 2.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 6.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 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 5 13 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 11 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 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 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 14 18 1 0 0 0 0 14 19 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 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 17 29 1 0 0 0 0 M END $$$$ E0KP0P -OEChem-05082103072D 25 25 0 0 0 0 0 0 0999 V2000 3.7320 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E0KP1P -OEChem-05082103062D 6 5 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ E0KR6X -OEChem-05082103122D 20 20 0 1 0 0 0 0 0999 V2000 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0KU0Y -OEChem-05082103062D 63 61 0 0 0 0 0 0 0999 V2000 7.6482 0.0000 0.0000 Br 0 5 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 3.1350 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.4030 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 6.5991 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 3.9030 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 9.1972 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 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 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 4.3996 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 4.8779 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 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 6.2006 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 3.4280 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 9.5957 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 4.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 3.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 3.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 4.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 11 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 22 1 0 0 0 0 3 23 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 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 8 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 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 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 41 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 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 16 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 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 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 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 21 63 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0KW7B -OEChem-05082103062D 33 32 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 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 9.4651 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 10.3312 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 11.1972 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 12.0632 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.1972 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3700 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 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 33 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 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 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 24 1 0 0 0 0 7 25 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 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 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ E0L0MR -OEChem-05082103092D 39 39 0 0 0 0 0 0 0999 V2000 7.7991 4.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4441 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 4.0867 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -4.9441 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 4.5834 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3024 3.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4441 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4030 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.4441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 4.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 2.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 4.7105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.2230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.8659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3659 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 18 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 25 1 0 0 0 0 5 22 1 0 0 0 0 5 39 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 22 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 23 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 35 1 0 0 0 0 27 29 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 M CHG 4 3 1 4 1 6 -1 9 -1 M END $$$$ E0L1TV -OEChem-05082103092D 5 0 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 M CHG 5 1 3 2 3 3 -2 4 -2 5 -2 M END $$$$ E0L2PN -OEChem-05082103092D 3 1 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0L2SK -OEChem-05082103112D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Ba 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0L3MB -OEChem-05082103132D 38 39 0 0 0 0 0 0 0999 V2000 3.7320 0.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9879 0.5887 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7199 0.5887 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.5887 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.5870 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 1.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0887 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8539 1.0887 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4879 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4879 1.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.2161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4436 -1.2161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4436 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3898 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -0.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 1.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2558 -2.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6588 -1.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 1.8054 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 25 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 28 1 0 0 0 0 5 19 1 0 0 0 0 5 38 1 0 0 0 0 6 21 2 0 0 0 0 13 15 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 22 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 18 21 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 22 29 1 0 0 0 0 23 25 2 0 0 0 0 23 32 1 0 0 0 0 24 27 2 0 0 0 0 24 33 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$ E0L3OO -OEChem-05082103092D 48 47 0 1 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 11.5263 -1.2500 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 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 4.5981 -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 3.7320 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 2.8660 -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 2.0000 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 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 3 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 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 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 7.6636 -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 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 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 9.3267 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 4.1306 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 9.3957 -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 2.4675 -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 11.0588 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 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 12.8598 -0.7249 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 14.1244 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0600 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 15 2 0 0 0 0 3 17 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 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 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 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 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 14 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 18 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 M END $$$$ E0L5MU -OEChem-05082103052D 29 29 0 0 0 0 0 0 0999 V2000 2.8660 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$ E0L7RZ -OEChem-05082103102D 12 10 0 0 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0L8YB -OEChem-05082103142D 14 9 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4768 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 4 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 M CHG 4 2 1 3 1 5 -1 6 -1 M END $$$$ E0L9VB -OEChem-05082103082D 30 30 0 1 0 0 0 0 0999 V2000 3.7601 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.2463 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5202 -0.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2144 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 -0.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 -1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0087 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5544 0.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 0.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9233 -0.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 -0.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 1.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4689 0.8557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6175 -0.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 -0.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0666 0.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1124 1.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 M END $$$$ E0LA1W -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 M END $$$$ E0LC5O -OEChem-05082103142D 31 32 0 0 0 0 0 0 0999 V2000 6.3626 5.8975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7011 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.6306 2.8975 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4668 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 2.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 4.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 3.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9597 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 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 3 13 1 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 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 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 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 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 26 1 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 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$ E0LC7X -OEChem-05082103102D 8 4 0 0 0 0 0 0 0999 V2000 3.7320 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0LI5P -OEChem-05082103102D 176175 0 1 0 0 0 0 0999 V2000 30.5788 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 7.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 6.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 7.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 6.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 -3.9050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 27.9808 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9090 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -7.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -8.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 6.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 7.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 -4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 -4.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -5.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 1.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -6.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -6.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 2.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 1.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -6.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -7.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 2.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 2.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.1158 8.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 -3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -8.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -7.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 3.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.0850 6.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.3119 7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4650 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 7.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -7.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -8.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -8.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 7.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 5.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 5.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1148 1 0 0 0 0 2 17 1 0 0 0 0 2149 1 0 0 0 0 3 18 1 0 0 0 0 3150 1 0 0 0 0 4 58 1 0 0 0 0 4 62 1 0 0 0 0 5 63 1 0 0 0 0 5 65 1 0 0 0 0 6 64 1 0 0 0 0 6 66 1 0 0 0 0 7 62 2 0 0 0 0 8 63 2 0 0 0 0 9 64 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 67 1 0 0 0 0 10 68 1 0 0 0 0 11 19 1 0 0 0 0 11 69 1 0 0 0 0 11 70 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 71 1 0 0 0 0 12 72 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 20 1 0 0 0 0 14 75 1 0 0 0 0 14 76 1 0 0 0 0 15 21 1 0 0 0 0 15 77 1 0 0 0 0 15 78 1 0 0 0 0 16 25 1 0 0 0 0 16 79 1 0 0 0 0 17 26 1 0 0 0 0 17 80 1 0 0 0 0 18 27 1 0 0 0 0 18 81 1 0 0 0 0 19 22 1 0 0 0 0 19 82 1 0 0 0 0 19 83 1 0 0 0 0 20 23 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 21 24 1 0 0 0 0 21 86 1 0 0 0 0 21 87 1 0 0 0 0 22 28 1 0 0 0 0 22 88 1 0 0 0 0 22 89 1 0 0 0 0 23 29 1 0 0 0 0 23 90 1 0 0 0 0 23 91 1 0 0 0 0 24 30 1 0 0 0 0 24 92 1 0 0 0 0 24 93 1 0 0 0 0 25 32 1 0 0 0 0 25 94 1 0 0 0 0 25 95 1 0 0 0 0 26 33 1 0 0 0 0 26 96 1 0 0 0 0 26 97 1 0 0 0 0 27 34 1 0 0 0 0 27 98 1 0 0 0 0 27 99 1 0 0 0 0 28 31 1 0 0 0 0 28100 1 0 0 0 0 28101 1 0 0 0 0 29 35 1 0 0 0 0 29102 1 0 0 0 0 29103 1 0 0 0 0 30 36 1 0 0 0 0 30104 1 0 0 0 0 30105 1 0 0 0 0 31 37 1 0 0 0 0 31106 1 0 0 0 0 31107 1 0 0 0 0 32 40 1 0 0 0 0 32108 1 0 0 0 0 32109 1 0 0 0 0 33 41 1 0 0 0 0 33114 1 0 0 0 0 33115 1 0 0 0 0 34 42 1 0 0 0 0 34116 1 0 0 0 0 34117 1 0 0 0 0 35 38 1 0 0 0 0 35110 1 0 0 0 0 35111 1 0 0 0 0 36 39 1 0 0 0 0 36112 1 0 0 0 0 36113 1 0 0 0 0 37 43 1 0 0 0 0 37118 1 0 0 0 0 37119 1 0 0 0 0 38 44 1 0 0 0 0 38120 1 0 0 0 0 38121 1 0 0 0 0 39 45 1 0 0 0 0 39122 1 0 0 0 0 39123 1 0 0 0 0 40 46 1 0 0 0 0 40124 1 0 0 0 0 40125 1 0 0 0 0 41 47 1 0 0 0 0 41126 1 0 0 0 0 41127 1 0 0 0 0 42 48 1 0 0 0 0 42128 1 0 0 0 0 42129 1 0 0 0 0 43 49 1 0 0 0 0 43130 1 0 0 0 0 43131 1 0 0 0 0 44 50 1 0 0 0 0 44132 1 0 0 0 0 44133 1 0 0 0 0 45 51 1 0 0 0 0 45134 1 0 0 0 0 45135 1 0 0 0 0 46 52 1 0 0 0 0 46136 1 0 0 0 0 46137 1 0 0 0 0 47 53 1 0 0 0 0 47138 1 0 0 0 0 47139 1 0 0 0 0 48 54 1 0 0 0 0 48140 1 0 0 0 0 48141 1 0 0 0 0 49 55 1 0 0 0 0 49142 1 0 0 0 0 49143 1 0 0 0 0 50 56 1 0 0 0 0 50144 1 0 0 0 0 50145 1 0 0 0 0 51 57 1 0 0 0 0 51146 1 0 0 0 0 51147 1 0 0 0 0 52 59 1 0 0 0 0 52151 1 0 0 0 0 52152 1 0 0 0 0 53 60 1 0 0 0 0 53153 1 0 0 0 0 53154 1 0 0 0 0 54 61 1 0 0 0 0 54155 1 0 0 0 0 54156 1 0 0 0 0 55 62 1 0 0 0 0 55157 1 0 0 0 0 55158 1 0 0 0 0 56 63 1 0 0 0 0 56159 1 0 0 0 0 56160 1 0 0 0 0 57 64 1 0 0 0 0 57161 1 0 0 0 0 57162 1 0 0 0 0 58 65 1 0 0 0 0 58 66 1 0 0 0 0 58163 1 0 0 0 0 59164 1 0 0 0 0 59165 1 0 0 0 0 59166 1 0 0 0 0 60167 1 0 0 0 0 60168 1 0 0 0 0 60169 1 0 0 0 0 61170 1 0 0 0 0 61171 1 0 0 0 0 61172 1 0 0 0 0 65173 1 0 0 0 0 65174 1 0 0 0 0 66175 1 0 0 0 0 66176 1 0 0 0 0 M END $$$$ E0LI6F -OEChem-05082103132D 7 5 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0LJ1H -OEChem-05082103062D 23 23 0 1 0 0 0 0 0999 V2000 4.5981 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 5 3 1 1 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0LN0E -OEChem-05082103062D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0LQ1C -OEChem-05082103122D 45 45 0 0 0 0 0 0 0999 V2000 4.5981 -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 1.2500 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 6.3301 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 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 7.1962 -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 7.1962 -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 6.3301 -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 -1.2500 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 4.1996 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 5.8626 2.2250 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 4.1306 2.2250 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 6.9407 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.8326 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 5.7196 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7751 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 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 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 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 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 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 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 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 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 M END $$$$ E0LR5E -OEChem-05082103062D 19 18 0 0 0 0 0 0 0999 V2000 5.1350 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3779 -0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0LT2O -OEChem-05082103092D 81 82 0 1 0 0 0 0 0999 V2000 6.0290 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9350 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4383 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.1659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4450 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4516 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8383 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0334 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 6 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 6 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 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0 0 9.7942 4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 2.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -1.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -2.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -4.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3300 0.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1971 -7.6707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2741 9.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6383 0.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2583 -4.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4483 2.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8554 -3.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -6.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9254 0.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4381 -8.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 9.3491 0.0000 H 0 0 0 0 0 0 0 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1 0 0 0 0 40 70 1 0 0 0 0 41 56 1 0 0 0 0 41 62 1 0 0 0 0 41 71 1 0 0 0 0 42 57 2 0 0 0 0 42 63 1 0 0 0 0 42 72 1 0 0 0 0 43 58 2 0 0 0 0 43 64 1 0 0 0 0 43 73 1 0 0 0 0 44 59 2 0 0 0 0 44 65 1 0 0 0 0 44 74 1 0 0 0 0 45 48 1 0 0 0 0 45 51 2 0 0 0 0 45 66 1 0 0 0 0 46 49 1 0 0 0 0 46 52 2 0 0 0 0 46 67 1 0 0 0 0 47 50 1 0 0 0 0 47 53 2 0 0 0 0 47 68 1 0 0 0 0 48 75 2 0 0 0 0 48 78 1 0 0 0 0 49 76 2 0 0 0 0 49 79 1 0 0 0 0 50 77 2 0 0 0 0 50 80 1 0 0 0 0 51 81 1 0 0 0 0 51 82 1 0 0 0 0 52 83 1 0 0 0 0 52 84 1 0 0 0 0 53 85 1 0 0 0 0 53 86 1 0 0 0 0 54 87 2 0 0 0 0 54 90 1 0 0 0 0 55 88 2 0 0 0 0 55 91 1 0 0 0 0 56 89 2 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 57 94 1 0 0 0 0 58 95 1 0 0 0 0 58 96 1 0 0 0 0 59 97 1 0 0 0 0 59 98 1 0 0 0 0 60 99 1 0 0 0 0 60156 1 0 0 0 0 60157 1 0 0 0 0 61100 1 0 0 0 0 61158 1 0 0 0 0 61159 1 0 0 0 0 62101 1 0 0 0 0 62160 1 0 0 0 0 62161 1 0 0 0 0 63102 1 0 0 0 0 63162 1 0 0 0 0 63163 1 0 0 0 0 64103 1 0 0 0 0 64164 1 0 0 0 0 64165 1 0 0 0 0 65104 1 0 0 0 0 65166 1 0 0 0 0 65167 1 0 0 0 0 66105 1 0 0 0 0 66108 2 0 0 0 0 67106 1 0 0 0 0 67109 2 0 0 0 0 68107 1 0 0 0 0 68110 2 0 0 0 0 69111 1 0 0 0 0 69168 1 0 0 0 0 69169 1 0 0 0 0 70112 1 0 0 0 0 70170 1 0 0 0 0 70171 1 0 0 0 0 71113 1 0 0 0 0 71172 1 0 0 0 0 71173 1 0 0 0 0 72114 1 0 0 0 0 72174 1 0 0 0 0 72175 1 0 0 0 0 73115 1 0 0 0 0 73176 1 0 0 0 0 73177 1 0 0 0 0 74116 1 0 0 0 0 74178 1 0 0 0 0 74179 1 0 0 0 0 75 87 1 0 0 0 0 75180 1 0 0 0 0 76 88 1 0 0 0 0 76181 1 0 0 0 0 77 89 1 0 0 0 0 77182 1 0 0 0 0 78 90 2 0 0 0 0 78183 1 0 0 0 0 79 91 2 0 0 0 0 79184 1 0 0 0 0 80 92 2 0 0 0 0 80185 1 0 0 0 0 81 93 2 0 0 0 0 81186 1 0 0 0 0 82 94 2 0 0 0 0 82187 1 0 0 0 0 83 95 2 0 0 0 0 83188 1 0 0 0 0 84 96 2 0 0 0 0 84189 1 0 0 0 0 85 97 2 0 0 0 0 85190 1 0 0 0 0 86 98 2 0 0 0 0 86191 1 0 0 0 0 87192 1 0 0 0 0 88193 1 0 0 0 0 89194 1 0 0 0 0 90195 1 0 0 0 0 91196 1 0 0 0 0 92197 1 0 0 0 0 93198 1 0 0 0 0 94199 1 0 0 0 0 95200 1 0 0 0 0 96201 1 0 0 0 0 97202 1 0 0 0 0 98203 1 0 0 0 0 99117 2 0 0 0 0 99126 1 0 0 0 0 100118 2 0 0 0 0 100127 1 0 0 0 0 101119 2 0 0 0 0 101128 1 0 0 0 0 102120 2 0 0 0 0 102129 1 0 0 0 0 103121 2 0 0 0 0 103130 1 0 0 0 0 104122 2 0 0 0 0 104131 1 0 0 0 0 105123 2 0 0 0 0 106124 2 0 0 0 0 107125 2 0 0 0 0 108132 1 0 0 0 0 108204 1 0 0 0 0 109133 1 0 0 0 0 109205 1 0 0 0 0 110134 1 0 0 0 0 110206 1 0 0 0 0 111207 1 0 0 0 0 111208 1 0 0 0 0 111209 1 0 0 0 0 112210 1 0 0 0 0 112211 1 0 0 0 0 112212 1 0 0 0 0 113213 1 0 0 0 0 113214 1 0 0 0 0 113215 1 0 0 0 0 114216 1 0 0 0 0 114217 1 0 0 0 0 114218 1 0 0 0 0 115219 1 0 0 0 0 115220 1 0 0 0 0 115221 1 0 0 0 0 116222 1 0 0 0 0 116223 1 0 0 0 0 116224 1 0 0 0 0 117135 1 0 0 0 0 117225 1 0 0 0 0 118136 1 0 0 0 0 118226 1 0 0 0 0 119137 1 0 0 0 0 119227 1 0 0 0 0 120138 1 0 0 0 0 120228 1 0 0 0 0 121139 1 0 0 0 0 121229 1 0 0 0 0 122140 1 0 0 0 0 122230 1 0 0 0 0 123141 1 0 0 0 0 123231 1 0 0 0 0 124142 1 0 0 0 0 124232 1 0 0 0 0 125143 1 0 0 0 0 125233 1 0 0 0 0 126144 2 0 0 0 0 126234 1 0 0 0 0 127145 2 0 0 0 0 127235 1 0 0 0 0 128146 2 0 0 0 0 128236 1 0 0 0 0 129147 2 0 0 0 0 129237 1 0 0 0 0 130148 2 0 0 0 0 130238 1 0 0 0 0 131149 2 0 0 0 0 131239 1 0 0 0 0 132141 2 0 0 0 0 132240 1 0 0 0 0 133142 2 0 0 0 0 133241 1 0 0 0 0 134143 2 0 0 0 0 134242 1 0 0 0 0 135150 2 0 0 0 0 136151 2 0 0 0 0 137152 2 0 0 0 0 138153 2 0 0 0 0 139154 2 0 0 0 0 140155 2 0 0 0 0 141243 1 0 0 0 0 142244 1 0 0 0 0 143245 1 0 0 0 0 144150 1 0 0 0 0 144246 1 0 0 0 0 145151 1 0 0 0 0 145247 1 0 0 0 0 146152 1 0 0 0 0 146248 1 0 0 0 0 147153 1 0 0 0 0 147249 1 0 0 0 0 148154 1 0 0 0 0 148250 1 0 0 0 0 149155 1 0 0 0 0 149251 1 0 0 0 0 150252 1 0 0 0 0 151253 1 0 0 0 0 152254 1 0 0 0 0 153255 1 0 0 0 0 154256 1 0 0 0 0 155257 1 0 0 0 0 M CHG 8 10 3 11 3 12 -1 13 -1 14 -1 21 -1 22 -1 23 -1 M CHG 6 30 -1 31 -1 32 -1 42 1 43 1 44 1 M END $$$$ E0M0IE -OEChem-05082103152D 7 3 0 0 0 0 0 0 0999 V2000 1.4030 0.0000 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 1.1345 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 0.5000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 1.6714 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M CHG 3 1 3 3 -1 4 -2 M END $$$$ E0M1JK -OEChem-05082103052D 13 12 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E0M1QY -OEChem-05082103052D 24 25 0 0 0 0 0 0 0999 V2000 3.7320 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.9479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0M2LZ -OEChem-05082103062D 16 15 0 1 0 0 0 0 0999 V2000 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 6 5 1 1 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0M3BD -OEChem-05082103112D 6 4 0 0 0 0 0 0 0999 V2000 0.2869 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 3.0369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0739 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.5739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0M5SQ -OEChem-05082103062D 21 17 0 0 0 0 0 0 0999 V2000 2.0000 -1.7990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.2010 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0981 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0981 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2990 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5981 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E0M7DO -OEChem-05082103112D 47 47 0 1 0 0 0 0 0999 V2000 5.5696 -3.9991 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0872 -1.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0694 4.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7424 3.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -2.2920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.3470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 2.2789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -3.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -4.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -3.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -1.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4142 -0.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4483 -0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.0200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5176 2.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 3.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8069 -2.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -3.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1896 -2.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5696 -2.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 -1.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 -1.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -1.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9496 -4.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5696 -5.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 -4.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -3.3791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9496 -3.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -4.6191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 -2.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 -0.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 -0.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 0.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 1.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 2.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 2.2193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 2.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 1.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 4.9991 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 16 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 47 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 17 7 1 1 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 20 8 1 6 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 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 15 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 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 17 1 0 0 0 0 17 18 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 20 21 1 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 21 44 1 0 0 0 0 M END $$$$ E0M9RK -OEChem-05082103152D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 2.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0MC8B -OEChem-05082103122D 32 30 0 1 0 0 0 0 0999 V2000 4.0747 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6106 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 9.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9028 9.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 8.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 9.0000 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 12 2 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 14 2 0 0 0 0 10 5 1 6 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 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 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 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 11 22 1 0 0 0 0 11 23 1 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 13 31 1 0 0 0 0 M END $$$$ E0ME2Y -OEChem-05082103072D 23 22 0 0 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E0MF5O -OEChem-05082103082D 15 14 0 0 0 0 0 0 0999 V2000 4.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0MG7O -OEChem-05082103122D 5 2 0 0 0 0 0 0 0999 V2000 3.4030 -0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0MH5E -OEChem-05082103122D 38 39 0 1 0 0 0 0 0999 V2000 4.5981 -1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 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 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.7500 0.0000 O 0 5 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 4.5981 0.2500 0.0000 N 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 8.0622 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 N 0 3 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 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 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 9.7942 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 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 8.9282 -1.2500 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 -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 9.7942 -1.7500 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 10.6603 -1.2500 0.0000 C 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 4.5981 0.8700 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 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 8.3913 -1.5600 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 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3700 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 1 17 1 0 0 0 0 2 26 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 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 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 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 24 2 0 0 0 0 20 33 1 0 0 0 0 21 26 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 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 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$ E0MU5Y -OEChem-05082103102D 33 33 0 0 0 0 0 0 0999 V2000 3.0000 -3.0000 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 3.0000 -4.0000 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 4.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 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 4.7320 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 4.7320 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 3.8660 2.5000 0.0000 C 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 4.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 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 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 6 8 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 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 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 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 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 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 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ E0MV7N -OEChem-05082103112D 44 28 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7320 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 7.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 7.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 7.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6857 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 9.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6118 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 5.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1090 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 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 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 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 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 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 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0MY1V -OEChem-05082103152D 16 15 0 0 0 0 0 0 0999 V2000 5.1350 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0N0NF -OEChem-05082103142D 3 0 0 0 0 0 0 0 0999 V2000 2.8660 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0N1TT -OEChem-05082103062D 36 35 0 0 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 2.8660 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 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 3.7320 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 6.3301 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 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 6.3301 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 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 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 2.8660 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 7.1962 -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 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 5.0656 -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 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 7.8067 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.1423 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 2.3291 -3.0600 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 7.7331 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 11 1 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 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 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 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 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 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0N2PK -OEChem-05082103052D 12 11 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E0N2RU -OEChem-05082103072D 25 25 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END $$$$ E0N3AB -OEChem-05082103152D 27 25 0 1 0 0 0 0 0999 V2000 7.1486 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6286 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2214 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 11 2 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 9 4 1 6 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$ E0N3XA -OEChem-05082103162D 16 14 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E0N6BJ -OEChem-05082103072D 30 30 0 0 0 0 0 0 0999 V2000 3.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ E0N7PI -OEChem-05082103152D 3 1 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0N9WU -OEChem-04012201012D 14 11 0 0 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0ND5Z -OEChem-05082103092D 3 1 0 0 0 0 0 0 0999 V2000 3.4030 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0NF3V -OEChem-05082103062D 14 13 0 1 0 0 0 0 0999 V2000 2.5369 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 5 4 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0NG2J -OEChem-05082103092D 31 31 0 1 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 1 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 6 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 1 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0NN1T -OEChem-05082103072D 62 61 0 0 0 0 0 0 0999 V2000 8.5622 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5710 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8282 1.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -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 8.0622 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8660 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 6.5622 1.7320 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 6.0622 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5981 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 5.0622 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.4641 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 4.5622 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9796 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 1.1215 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 4.1306 -1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6448 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9545 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5683 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -3.1541 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 1.4631 -1.6760 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 5.0991 3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2522 4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0252 3.1541 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 12 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 22 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 29 1 0 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 15 16 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 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 20 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 24 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 23 27 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 28 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 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 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END $$$$ E0NN4I -OEChem-05082103112D 66 68 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 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 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 7.7331 -1.0000 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 2.5369 -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 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.0000 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 7.7331 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5000 0.0000 O 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 6.0010 -1.0000 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 1 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 C 0 0 1 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 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.5000 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 7.7331 4.0000 0.0000 C 0 0 2 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 6.0010 -4.0000 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 5.4641 -1.3100 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 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6900 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 3.4030 -1.8800 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 3.4030 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.1900 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 3.6584 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.4174 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 5.6025 1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.5250 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 8.2700 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -4.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.3100 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 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6200 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 7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -3.8100 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 17 2 1 6 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 22 3 1 6 0 0 0 4 23 1 0 0 0 0 4 29 1 0 0 0 0 5 26 1 0 0 0 0 5 32 1 0 0 0 0 18 6 1 1 0 0 0 6 54 1 0 0 0 0 19 7 1 6 0 0 0 7 55 1 0 0 0 0 24 8 1 1 0 0 0 8 58 1 0 0 0 0 25 9 1 1 0 0 0 9 59 1 0 0 0 0 27 10 1 6 0 0 0 10 60 1 0 0 0 0 28 11 1 1 0 0 0 11 61 1 0 0 0 0 30 12 1 6 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 32 14 1 6 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 20 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 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 1 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 26 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 30 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 33 1 1 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 29 1 0 0 0 0 28 46 1 0 0 0 0 29 34 1 6 0 0 0 29 47 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$ E0NO1Z -OEChem-05082103042D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0NO4B -OEChem-05082103162D 127 12 0 0 0 0 0 0 0999 V2000 0.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 17.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 18.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 20.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 24.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 21.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 23.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 22.5000 0.0000 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 26.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 25.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 33.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 27.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 28.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 29.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 30.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 31.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 32.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 35.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 36.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 37.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 38.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 39.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 40.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 34.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 42.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 41.5000 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 47.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 44.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 45.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 65.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 50.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 51.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 52.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 53.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 54.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 55.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 81.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 57.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 58.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 59.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 60.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 61.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 62.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 64.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 73.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 85.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 74.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 66.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 68.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 69.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 70.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 71.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 72.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 67.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 75.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 76.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 77.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 78.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 79.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 80.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 82.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 92.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 107.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 84.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 86.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 87.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 88.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 89.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 90.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 91.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 100.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 93.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 94.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 95.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 96.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 97.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 83.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 98.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 114.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 56.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 101.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 102.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 103.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 104.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 105.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 106.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 108.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 109.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 110.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 111.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 112.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 113.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 63.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 99.5000 0.0000 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 81.4583 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 91.0417 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3750 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9583 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5417 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2917 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 71.8750 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 100.6250 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 110.2080 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1250 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.7083 -2.1500 0.0000 H 0 0 0 0 0 0 0 0 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 46120 1 0 0 0 0 46121 1 0 0 0 0 47122 1 0 0 0 0 47123 1 0 0 0 0 48124 1 0 0 0 0 48125 1 0 0 0 0 49126 1 0 0 0 0 49127 1 0 0 0 0 M CHG 8 1 4 2 4 3 4 4 4 5 4 6 4 7 4 8 4 M CHG 8 9 4 10 4 11 4 12 4 13 4 14 4 15 4 16 4 M CHG 8 17 4 18 4 19 4 20 4 21 4 22 3 23 3 24 3 M CHG 8 25 3 26 2 27 2 28 2 29 2 30 2 31 2 32 2 M CHG 8 33 2 34 2 35 2 36 2 37 2 38 2 39 2 40 2 M CHG 8 41 2 42 2 43 2 50 -2 51 -2 52 -2 53 -2 54 -2 M CHG 8 55 -2 56 -2 57 -2 58 -2 59 -2 60 -2 61 -2 62 -2 M CHG 8 63 -2 64 -2 65 -2 66 -2 67 -2 68 -2 69 -2 70 -2 M CHG 8 71 -2 72 -2 73 -2 74 -2 75 -2 76 -2 77 -2 78 -2 M CHG 8 79 -2 80 -2 81 -2 82 -2 83 -2 84 -2 85 -2 86 -2 M CHG 8 87 -2 88 -2 89 -2 90 -2 91 -2 92 -2 93 -2 94 -2 M CHG 8 95 -2 96 -2 97 -2 98 -2 99 -2 100 -2 101 -2 102 -2 M CHG 8 103 -2 104 -2 105 -2 106 -2 107 -2 108 -2 109 -2 110 -2 M CHG 5 111 -2 112 -2 113 -2 114 -2 115 -2 M END $$$$ E0NV2K -OEChem-05082103052D 7 6 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0NV8K -OEChem-05082103152D 23 22 0 0 0 0 0 0 0999 V2000 3.7320 -0.7500 0.0000 Hg 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M CHG 2 3 1 4 -1 M END $$$$ E0NY1O -OEChem-05082103042D 16 16 0 0 0 0 0 0 0999 V2000 3.7320 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0NY5F -OEChem-05082103112D 27 21 0 0 0 0 0 0 0999 V2000 3.0739 0.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.2700 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.1720 4.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.1720 1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5380 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6720 3.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6720 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 6.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 2.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5939 2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 3.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 0.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 6.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 6.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 13 1 0 0 0 0 4 23 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 10 18 2 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 5 -1 7 -1 8 -1 M END $$$$ E0NZ2T -OEChem-05082103152D 8 7 0 0 0 0 0 0 0999 V2000 6.3301 0.2500 0.0000 Bi 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 Bi 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 7 2 0 0 0 0 3 8 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 M END $$$$ E0NZ3E -OEChem-05082103122D 248256 0 1 0 0 0 0 0999 V2000 6.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 0.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -0.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3805 -1.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4198 5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9265 2.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0407 2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7747 -0.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5145 0.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2465 -2.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8805 -3.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8805 -5.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6485 3.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 2.9955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 -1.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3805 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0097 -1.6273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -3.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8694 -3.6910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 2.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 2.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 2.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4767 -2.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -2.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3704 -3.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0470 -2.8753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 7.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3742 5.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 1.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1485 1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1499 -1.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8805 -3.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9203 -5.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8805 -7.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8964 9.9315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2498 7.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1485 -0.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -3.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3805 -4.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -7.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -9.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9164 4.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9164 3.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4164 2.1295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 0.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -0.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8805 -2.1384 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3805 -3.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 3.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9164 2.9955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7747 -0.7791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 0.7635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8738 -2.1307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -3.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8839 -3.8608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9164 4.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9164 1.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4130 5.6033 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0407 3.2310 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4231 2.1218 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7824 0.7635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5145 -0.7724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6485 0.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6465 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3805 -1.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8805 -3.8705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3805 -3.0045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2465 -3.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8805 -5.6025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4164 3.8616 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7824 2.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6485 1.2635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6465 -1.2825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5145 -2.2365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3704 -3.0025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8772 -3.8608 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9097 6.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8709 4.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1485 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 -1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3805 -3.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 -4.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -6.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9030 8.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 6.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6299 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6485 0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6533 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8805 -3.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 -6.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -8.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 9.0674 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.2460 6.5772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6458 1.6418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6485 0.7276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6532 -2.4902 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3805 -4.7365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0542 -6.5873 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8805 -9.0666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3997 9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1101 6.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3076 2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1485 1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1499 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8805 -5.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1881 -6.0873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8805 -9.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5364 4.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 4.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7285 2.6652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3182 -0.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5169 -0.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5005 -2.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 -4.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 -5.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 3.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3194 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 2.9955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7735 -1.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 1.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0377 -1.5327 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1 0 0 0 0 106210 1 0 0 0 0 107115 1 0 0 0 0 107211 1 0 0 0 0 108116 1 0 0 0 0 108212 1 0 0 0 0 109117 1 0 0 0 0 109213 1 0 0 0 0 110118 1 0 0 0 0 110214 1 0 0 0 0 111119 1 0 0 0 0 111215 1 0 0 0 0 112120 1 0 0 0 0 112216 1 0 0 0 0 113217 1 0 0 0 0 113218 1 0 0 0 0 113219 1 0 0 0 0 114220 1 0 0 0 0 114221 1 0 0 0 0 114222 1 0 0 0 0 115223 1 0 0 0 0 115224 1 0 0 0 0 115225 1 0 0 0 0 116226 1 0 0 0 0 116227 1 0 0 0 0 116228 1 0 0 0 0 117229 1 0 0 0 0 117230 1 0 0 0 0 117231 1 0 0 0 0 118232 1 0 0 0 0 118233 1 0 0 0 0 118234 1 0 0 0 0 119235 1 0 0 0 0 119236 1 0 0 0 0 119237 1 0 0 0 0 120238 1 0 0 0 0 120239 1 0 0 0 0 120240 1 0 0 0 0 M END $$$$ E0O1IF -OEChem-05082103102D 11 8 0 0 0 0 0 0 0999 V2000 2.0000 -1.6160 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.1340 1.6160 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 -0.6160 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.6160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6340 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0000 1.1160 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 2 0 0 0 0 M CHG 6 1 2 2 2 6 -1 7 -1 8 -1 9 -1 M END $$$$ E0O1YN -OEChem-05082103052D 16 16 0 0 0 0 0 0 0999 V2000 2.8660 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0O5AE -OEChem-05082103162D 139139 0 1 0 0 0 0 0999 V2000 4.8671 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 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 1.4030 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 9.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2279 9.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 11.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 19.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 8.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3414 10.1367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8920 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9040 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7920 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6801 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7722 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6723 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0361 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 16.0083 0.0000 C 0 0 0 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 1 0 0 0 0 0 0 0 0 0 3.1350 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 2 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 4.8671 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 14.5147 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 4.5380 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 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 19.8783 10.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8044 10.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3414 9.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7649 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6910 10.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6514 11.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 11.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2492 19.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 19.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6514 8.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 8.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37 1 1 1 0 0 0 53 1 1 6 0 0 0 2 38 2 0 0 0 0 3 53 1 0 0 0 0 3 56 1 0 0 0 0 4 52 1 0 0 0 0 4111 1 0 0 0 0 5 52 2 0 0 0 0 54 6 1 6 0 0 0 58 6 1 1 0 0 0 55 7 1 1 0 0 0 7116 1 0 0 0 0 57 8 1 6 0 0 0 8117 1 0 0 0 0 9 58 1 0 0 0 0 9 62 1 0 0 0 0 10 59 1 0 0 0 0 10120 1 0 0 0 0 11 59 2 0 0 0 0 60 12 1 6 0 0 0 12123 1 0 0 0 0 61 13 1 1 0 0 0 13124 1 0 0 0 0 63 14 1 6 0 0 0 14125 1 0 0 0 0 15 64 1 0 0 0 0 15126 1 0 0 0 0 16 64 2 0 0 0 0 17130 1 0 0 0 0 17131 1 0 0 0 0 18132 1 0 0 0 0 18133 1 0 0 0 0 19134 1 0 0 0 0 19135 1 0 0 0 0 20136 1 0 0 0 0 20137 1 0 0 0 0 21138 1 0 0 0 0 21139 1 0 0 0 0 22127 1 0 0 0 0 22128 1 0 0 0 0 22129 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 0 0 0 0 23 39 1 1 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 35 1 0 0 0 0 24 41 1 1 0 0 0 25 38 1 0 0 0 0 25 65 1 6 0 0 0 26 31 1 0 0 0 0 26 34 1 0 0 0 0 26 42 1 6 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 66 1 6 0 0 0 28 30 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 37 1 0 0 0 0 29 47 1 0 0 0 0 29 48 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 43 2 0 0 0 0 32 33 1 0 0 0 0 32 44 1 0 0 0 0 32 71 1 1 0 0 0 33 36 1 0 0 0 0 33 45 1 0 0 0 0 33 50 1 1 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 40 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 37 40 1 0 0 0 0 37 78 1 0 0 0 0 38 43 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 42 89 1 0 0 0 0 43 90 1 0 0 0 0 44 46 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 49 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 46 49 1 0 0 0 0 46 51 1 6 0 0 0 46 52 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 48100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50103 1 0 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 51106 1 0 0 0 0 51107 1 0 0 0 0 51108 1 0 0 0 0 53 54 1 0 0 0 0 53109 1 0 0 0 0 54 55 1 0 0 0 0 54110 1 0 0 0 0 55 57 1 0 0 0 0 55112 1 0 0 0 0 56 57 1 0 0 0 0 56 59 1 1 0 0 0 56113 1 0 0 0 0 57114 1 0 0 0 0 58 60 1 0 0 0 0 58115 1 0 0 0 0 60 61 1 0 0 0 0 60118 1 0 0 0 0 61 63 1 0 0 0 0 61119 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 1 0 0 0 62121 1 0 0 0 0 63122 1 0 0 0 0 M END $$$$ E0O5FX -OEChem-05082103062D 7 7 0 0 0 0 0 0 0999 V2000 2.5000 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 0.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0O7JW -OEChem-05082103112D 72 71 0 1 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 4.2690 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 4.4400 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.9400 0.0000 N 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 4.2690 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4400 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 6.0010 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4400 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 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 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 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 3.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 3.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 5.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 4.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 5.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 60 1 0 0 0 0 2 25 2 0 0 0 0 3 26 2 0 0 0 0 4 27 2 0 0 0 0 5 28 1 0 0 0 0 5 65 1 0 0 0 0 6 29 1 0 0 0 0 6 66 1 0 0 0 0 7 28 2 0 0 0 0 8 29 2 0 0 0 0 9 32 1 0 0 0 0 9 34 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 20 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 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 0 0 0 0 14 30 1 0 0 0 0 14 54 1 0 0 0 0 15 27 1 0 0 0 0 15 31 1 0 0 0 0 15 55 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 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 42 1 0 0 0 0 19 43 1 0 0 0 0 20 25 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 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 27 1 0 0 0 0 22 48 1 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 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 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 $$$$ E0OC0E -OEChem-05082103052D 27 28 0 1 0 0 0 0 0999 V2000 5.6137 -2.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7147 -0.7841 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9735 0.1818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3420 -1.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3415 2.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 1.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 -1.5994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 -1.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4142 -0.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 0.2616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9581 2.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 2.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 2.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 1.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -1.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 -2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$ E0OC2E -OEChem-05082103072D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0OF1T -OEChem-05082103042D 15 14 0 1 0 0 0 0 0999 V2000 5.1350 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0OO9B -OEChem-05082103082D 24 24 0 0 0 0 0 0 0999 V2000 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0OS5H -OEChem-05082103052D 11 10 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0OV4T -OEChem-05082103112D 101100 0 0 0 0 0 0 0999 V2000 13.2583 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 4.2500 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 9.7942 -1.7500 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 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.7500 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 9.7942 -0.7500 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 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.7500 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 10.6603 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 4.2500 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 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.2500 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 10.6603 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 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 8.0622 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.7500 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 12.3923 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.2500 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 21.9186 4.2500 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 7.1962 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 4.7250 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 8.6728 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 4.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -4.7131 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 7.5062 -5.7869 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 32 1 0 0 0 0 2 35 1 0 0 0 0 3 33 1 0 0 0 0 3 36 1 0 0 0 0 4 34 2 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 14 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 17 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 18 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 19 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 22 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 20 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 21 1 0 0 0 0 16 58 1 0 0 0 0 16 59 1 0 0 0 0 17 23 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 24 1 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 25 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 26 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 27 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 28 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 29 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 30 1 0 0 0 0 24 74 1 0 0 0 0 24 75 1 0 0 0 0 25 34 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 35 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 27 36 1 0 0 0 0 27 80 1 0 0 0 0 27 81 1 0 0 0 0 28 37 1 0 0 0 0 28 82 1 0 0 0 0 28 83 1 0 0 0 0 29 38 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 39 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 88 1 0 0 0 0 32 89 1 0 0 0 0 32 90 1 0 0 0 0 33 91 1 0 0 0 0 33 92 1 0 0 0 0 37 93 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 38 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 M END $$$$ E0OY4C -OEChem-05082103132D 22 22 0 0 0 0 0 0 0999 V2000 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0P0SJ -OEChem-05082103042D 10 9 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0P0TF -OEChem-05082103162D 21 11 0 0 0 0 0 0 0999 V2000 3.3801 2.1554 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7071 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.7262 3.0520 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.6037 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.2836 5.7591 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 5.0157 5.7591 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.0872 2.8625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4142 2.4142 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7071 0.7071 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7071 1.7071 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7603 3.3108 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3120 1.6378 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6390 1.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4333 3.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 8.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 6.2591 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 2.4176 6.2591 0.0000 O 0 6 0 0 0 0 0 0 0 0 0 0 4.2536 8.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1797 8.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 14 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 15 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 16 2 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 M CHG 8 4 3 5 3 6 2 7 2 8 -1 9 -1 10 -1 11 -1 M CHG 4 12 -1 13 -1 18 -2 19 -2 M END $$$$ E0P1KX -OEChem-05082103112D 50 49 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 -0.7500 0.0000 O 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 9.7942 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 8.9282 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 8.0622 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 7.1962 0.7500 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 6.3301 0.2500 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 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 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 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 1.2869 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 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 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 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 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 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 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 16 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 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 18 50 1 0 0 0 0 M END $$$$ E0P1PI -OEChem-05082103102D 18 12 0 0 0 0 0 0 0999 V2000 5.4641 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7320 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.6962 0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 -0.8660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6962 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 17 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 18 2 0 0 0 0 M CHG 8 4 1 5 1 6 1 7 1 8 1 11 -1 13 -1 14 -1 M CHG 2 15 -1 16 -1 M END $$$$ E0P4FL -OEChem-05082103122D 66 68 0 1 0 0 0 0 0999 V2000 7.7331 2.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 4.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 3.6733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4023 4.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 1.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.8369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1979 3.5801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2844 3.1733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.3369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3889 2.1788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 0.8369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -0.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6102 3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -3.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6458 1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7968 3.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3168 3.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 1.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9388 2.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1851 3.7383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3547 0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 1.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 4.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 4.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 4.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.4038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 6 0 0 0 20 1 1 6 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 28 4 1 6 0 0 0 18 5 1 6 0 0 0 5 54 1 0 0 0 0 6 28 1 0 0 0 0 6 33 1 0 0 0 0 19 7 1 1 0 0 0 7 55 1 0 0 0 0 22 8 1 6 0 0 0 8 56 1 0 0 0 0 24 9 1 1 0 0 0 9 58 1 0 0 0 0 25 10 1 6 0 0 0 10 57 1 0 0 0 0 11 26 1 0 0 0 0 11 61 1 0 0 0 0 29 12 1 6 0 0 0 12 62 1 0 0 0 0 30 13 1 1 0 0 0 13 63 1 0 0 0 0 14 31 1 0 0 0 0 14 65 1 0 0 0 0 32 15 1 1 0 0 0 15 64 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 31 1 6 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 1 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 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 27 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 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 32 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 1 0 0 0 33 53 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ E0P5KD -OEChem-05082103082D 8 7 0 0 0 0 0 0 0999 V2000 2.0000 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ E0P9YZ -OEChem-05082103102D 3 2 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E0PC8F -OEChem-05082103102D 8 5 0 1 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 2 6 1 0 0 0 0 2 8 2 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0PJ5J -OEChem-05082103052D 17 18 0 0 0 0 0 0 0999 V2000 4.6783 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 -1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 0.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ E0PJ6D -OEChem-04012200592D 55 55 0 1 0 0 0 0 0999 V2000 6.8671 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 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 8.5991 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 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 2.5369 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -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 6.8671 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 3 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 7.7331 0.5000 0.0000 C 0 0 1 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 6.0010 -2.5000 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 9.4651 -0.5000 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 6.0010 -3.5000 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 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 6.1309 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 2.0000 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 7.9791 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4750 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 9.9326 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 4.0826 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 2.0000 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.8100 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 1 14 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 12 1 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 19 1 0 0 0 0 15 5 1 1 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 21 1 0 0 0 0 7 52 1 0 0 0 0 8 22 1 0 0 0 0 8 53 1 0 0 0 0 9 24 1 0 0 0 0 9 54 1 0 0 0 0 10 25 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 26 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 1 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 17 21 1 0 0 0 0 17 33 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 24 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 20 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 23 25 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 50 1 0 0 0 0 25 51 1 0 0 0 0 M END $$$$ E0PJ6I -OEChem-05082103162D 107117 0 0 0 0 0 0 0999 V2000 24.8935 2.8343 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 21.3967 2.8343 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12.6124 2.8817 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 16.1091 2.8547 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.3251 2.9428 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8287 2.9967 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 26.6753 -0.2244 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 19.6150 -0.2244 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 -0.1632 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 17.8672 -0.2177 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.0594 -0.1430 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0342 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 9.9512 1.3950 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 18.7471 1.3272 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 22.3361 -0.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 -0.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1451 1.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3528 1.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0573 -2.5481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4070 -2.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5815 -2.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6753 1.8239 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.6150 1.8239 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8229 1.8850 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.8830 1.8306 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0910 1.9050 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0316 2.0139 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 23.1451 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3373 -0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9542 -0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5238 -0.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0112 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2791 0.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4752 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2072 0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 0.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6451 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8255 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0064 -1.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0112 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2791 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2149 1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4191 1.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6873 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6451 -1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8255 -1.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0063 -1.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9496 -1.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9051 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3852 -0.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5772 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0970 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2893 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8460 -2.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6168 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7899 -2.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9051 1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3852 1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5931 1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1129 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3212 1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 1.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3188 -2.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1483 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8112 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4791 0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6751 0.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 0.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2032 0.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6894 -2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 -2.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8112 1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4791 1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6831 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0150 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 1.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3832 -0.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0959 -0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8979 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3923 -0.8549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5796 -0.8074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0850 -0.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -0.6920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3907 -3.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 -3.1462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 -3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9292 -2.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5370 -2.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 -2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8804 -3.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5760 -3.5391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7428 -3.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 66 1 0 0 0 0 2 67 1 0 0 0 0 3 68 1 0 0 0 0 4 69 1 0 0 0 0 5 70 1 0 0 0 0 6 71 1 0 0 0 0 7 75 1 0 0 0 0 8 76 1 0 0 0 0 9 77 1 0 0 0 0 10 78 1 0 0 0 0 11 79 1 0 0 0 0 12 80 1 0 0 0 0 15 30 1 0 0 0 0 15 51 1 0 0 0 0 16 31 1 0 0 0 0 16 52 1 0 0 0 0 17 32 1 0 0 0 0 17 53 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 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 2 0 0 0 0 22 52 2 0 0 0 0 23 53 2 0 0 0 0 24 84 1 0 0 0 0 25 85 1 0 0 0 0 26 86 1 0 0 0 0 27 87 1 0 0 0 0 28 88 1 0 0 0 0 29 89 1 0 0 0 0 30 33 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 31 34 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 35 1 0 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 33 54 2 0 0 0 0 34 43 1 0 0 0 0 34 55 2 0 0 0 0 35 44 1 0 0 0 0 35 56 2 0 0 0 0 36 45 1 0 0 0 0 36 57 2 0 0 0 0 37 46 1 0 0 0 0 37 58 2 0 0 0 0 38 47 1 0 0 0 0 38 59 2 0 0 0 0 39 48 1 0 0 0 0 39 60 2 0 0 0 0 40 49 1 0 0 0 0 40 61 2 0 0 0 0 41 50 1 0 0 0 0 41 62 2 0 0 0 0 42 51 1 0 0 0 0 42 63 2 0 0 0 0 43 52 1 0 0 0 0 43 64 2 0 0 0 0 44 53 1 0 0 0 0 44 65 2 0 0 0 0 45 66 2 0 0 0 0 46 67 2 0 0 0 0 47 68 2 0 0 0 0 48 69 2 0 0 0 0 49 70 2 0 0 0 0 50 71 2 0 0 0 0 54 72 1 0 0 0 0 54 90 1 0 0 0 0 55 73 1 0 0 0 0 55 91 1 0 0 0 0 56 74 1 0 0 0 0 56 92 1 0 0 0 0 57 75 1 0 0 0 0 57 93 1 0 0 0 0 58 76 1 0 0 0 0 58 94 1 0 0 0 0 59 77 1 0 0 0 0 59 95 1 0 0 0 0 60 78 1 0 0 0 0 60 96 1 0 0 0 0 61 79 1 0 0 0 0 61 97 1 0 0 0 0 62 80 1 0 0 0 0 62 98 1 0 0 0 0 63 81 1 0 0 0 0 63 99 1 0 0 0 0 64 82 1 0 0 0 0 64100 1 0 0 0 0 65 83 1 0 0 0 0 65101 1 0 0 0 0 66 84 1 0 0 0 0 67 85 1 0 0 0 0 68 86 1 0 0 0 0 69 87 1 0 0 0 0 70 88 1 0 0 0 0 71 89 1 0 0 0 0 72 81 2 0 0 0 0 72102 1 0 0 0 0 73 82 2 0 0 0 0 73103 1 0 0 0 0 74 83 2 0 0 0 0 74104 1 0 0 0 0 75 84 2 0 0 0 0 76 85 2 0 0 0 0 77 86 2 0 0 0 0 78 87 2 0 0 0 0 79 88 2 0 0 0 0 80 89 2 0 0 0 0 81105 1 0 0 0 0 82106 1 0 0 0 0 83107 1 0 0 0 0 M CHG 8 13 3 14 3 24 -1 25 -1 26 -1 27 -1 28 -1 29 -1 M END $$$$ E0PP0G -OEChem-05082103162D 24 15 0 0 0 0 0 0 0999 V2000 1.4030 3.2975 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 6.6419 1.3100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 5.3429 5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 3.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.7975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 3.7975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 2.2975 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5079 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7759 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6419 0.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9409 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 5.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4779 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0449 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 13 2 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 M CHG 8 1 3 2 3 5 -1 6 -1 7 -1 8 -1 9 -1 10 -1 M END $$$$ E0PV4P -OEChem-05082103092D 26 26 0 1 0 0 0 0 0999 V2000 6.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0PZ2V -OEChem-05082103142D 84 83 0 0 0 0 0 0 0999 V2000 14.1244 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -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 8.9282 -2.2500 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 3.7320 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 21.0526 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.2500 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 3.7320 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 11.5263 -2.7500 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 2.8660 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 21.9186 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.7500 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 2.8660 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 5.4641 -2.2500 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 22.7846 -2.2500 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 18.0560 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -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 10.2617 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -3.2250 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 3.9441 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.7750 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 3.0781 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3700 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 23.0946 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -1.7131 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 1.4631 4.0600 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 23 1 0 0 0 0 1 28 1 0 0 0 0 2 28 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 6 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 13 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 14 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 15 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 18 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 17 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 22 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 23 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 19 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 20 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 21 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 24 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 26 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 25 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 27 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 22 29 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 28 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 30 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 27 2 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 29 79 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 30 84 1 0 0 0 0 M END $$$$ E0Q0RB -OEChem-05082103112D 54 53 0 1 0 0 0 0 0999 V2000 14.1244 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.2500 0.0000 O 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 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 6.3301 -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 5.4641 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 4.5981 -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 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.9904 -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 3 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 C 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 8.4607 -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 9.3267 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 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 9.3957 -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 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 11.0588 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 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 11.1278 -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 4.1306 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 3.2646 -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 13.6569 -0.7249 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 16.3933 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2364 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.0600 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 19 1 0 0 0 0 2 54 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 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 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 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 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 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 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 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 M END $$$$ E0Q1LD -OEChem-05082103092D 24 24 0 1 0 0 0 0 0999 V2000 4.2690 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 6 0 0 0 2 20 1 0 0 0 0 8 3 1 1 0 0 0 3 21 1 0 0 0 0 10 4 1 1 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 1 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0Q2ZN -OEChem-05082103042D 17 17 0 1 0 0 0 0 0999 V2000 4.2920 1.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -0.0877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.3665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -0.0877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 1.1723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -1.3749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 0.2213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8798 1.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 0.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3798 -0.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2442 1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -1.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0Q3JF -OEChem-05272104372D 10 6 0 0 0 0 0 0 0999 V2000 2.7071 -0.7241 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.3801 0.7241 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 0.2759 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 7.0532 1.1724 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7071 -0.7241 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7071 0.2759 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4142 0.9830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0872 1.4312 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6390 -0.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 10 2 0 0 0 0 M CHG 6 3 3 4 1 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0Q3PU -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 5.8671 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1271 1.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5613 1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1761 1.6816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3671 2.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5580 1.6816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -1.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8181 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9195 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 1.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 -0.1259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3067 0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 1.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5207 1.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2560 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1509 0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8094 3.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4594 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 12 2 1 6 0 0 0 16 2 1 6 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 6 0 0 0 4 38 1 0 0 0 0 14 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 6 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 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 6 0 0 0 15 26 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 $$$$ E0Q3SU -OEChem-05082103162D 32 33 0 1 0 0 0 0 0999 V2000 5.4071 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.5199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0981 2.5199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 3.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 2.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 2.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 0.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1874 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 3.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 3.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0559 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 6 1 0 0 0 0 2 7 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 6 0 0 0 5 17 1 0 0 0 0 6 9 1 6 0 0 0 6 18 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 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 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 28 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 M END $$$$ E0Q3UJ -OEChem-05082103072D 9 8 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0Q4LO -OEChem-05082103072D 7 6 0 0 0 0 0 0 0999 V2000 4.2690 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0Q5PL -OEChem-05082103142D 31 32 0 0 0 0 0 0 0999 V2000 4.6306 5.8975 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7011 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.6306 2.8975 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4668 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 1.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 1.0141 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4668 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7944 2.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 0.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 3.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 4.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 5.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.9973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 2.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5959 2.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 1.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0006 0.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3703 0.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 4.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 3.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 4.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 5.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 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 3 13 1 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 8 1 0 0 0 0 5 10 1 0 0 0 0 5 12 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 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 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 26 1 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 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$ E0Q6DQ -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 21 1 0 0 0 0 8 2 1 6 0 0 0 2 22 1 0 0 0 0 9 3 1 1 0 0 0 3 23 1 0 0 0 0 10 4 1 1 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0Q7OI -OEChem-05082103092D 61 61 0 0 0 0 0 0 0999 V2000 2.8660 -5.8730 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -6.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -5.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 5.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1270 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 8.0622 2.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1270 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 6.3301 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 6.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 5.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 5.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 4.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 6.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 7.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 7.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 7.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 6.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 4.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 4.7240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 5.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9930 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 7 2 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 22 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 26 1 0 0 0 0 5 61 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 13 1 0 0 0 0 9 10 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 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 11 18 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 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 21 2 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 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 24 25 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 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 M END $$$$ E0Q8ZK -OEChem-05082103102D 7 5 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0Q9JT -OEChem-05082103082D 22 18 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M CHG 4 1 3 2 -1 3 -1 4 -1 M END $$$$ E0Q9KG -OEChem-05082103092D 87 89 0 1 0 0 0 0 0999 V2000 16.7224 4.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.5885 6.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.7224 5.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7224 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7224 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5263 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 N 0 3 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 14.1244 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 14.9904 1.7500 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 7.1962 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 8.0622 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 13.2583 0.7500 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 15.8564 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 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 8.9282 -0.7500 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 9.7942 -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 15.8564 -0.7500 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 15.8564 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 12.3923 -2.7500 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 16.7224 1.7500 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 16.7224 3.7500 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 11.5263 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 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 17.5885 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 17.5885 3.2500 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 14.7783 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8554 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2364 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4764 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 3.5600 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 12.9292 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.9400 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 18.1254 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.0600 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 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 46 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 3 47 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 23 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 17 26 1 0 0 0 0 18 27 2 0 0 0 0 18 28 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 29 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 30 2 0 0 0 0 21 31 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 56 1 0 0 0 0 23 57 1 0 0 0 0 24 37 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 38 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 41 2 0 0 0 0 26 42 1 0 0 0 0 27 30 1 0 0 0 0 27 62 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 39 2 0 0 0 0 29 43 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 2 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 68 1 0 0 0 0 35 69 1 0 0 0 0 36 40 2 0 0 0 0 36 44 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 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 45 1 0 0 0 0 39 76 1 0 0 0 0 40 46 1 0 0 0 0 40 77 1 0 0 0 0 41 48 1 0 0 0 0 41 78 1 0 0 0 0 42 49 2 0 0 0 0 42 79 1 0 0 0 0 43 50 2 0 0 0 0 43 80 1 0 0 0 0 44 51 2 0 0 0 0 44 81 1 0 0 0 0 45 52 2 0 0 0 0 46 53 2 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 82 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 53 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 53 87 1 0 0 0 0 M CHG 6 4 1 5 1 6 -1 9 -1 12 -1 16 1 M END $$$$ E0QA5A -OEChem-04012200562D 26 26 0 1 0 0 0 0 0999 V2000 2.8660 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 M END $$$$ E0QA6Q -OEChem-05082103092D 63 62 0 1 0 0 0 0 0999 V2000 8.0622 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 C 0 0 3 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 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 11.5263 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 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8100 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 13.2583 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 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 14.9904 1.3100 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 15.8564 0.8100 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 16.7224 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 17.5885 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 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 5.9316 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 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 17.1210 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 1.7850 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 17.2785 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 53 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 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 6 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 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 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 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 12 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 11 40 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 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 18 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 20 1 0 0 0 0 18 54 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 58 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 21 63 1 0 0 0 0 M END $$$$ E0QA6S -OEChem-05082103162D 88 91 0 1 0 0 0 0 0999 V2000 4.2441 2.2936 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3718 7.4207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 9.8617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 12.8014 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 4.0704 1.3089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 2.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7138 8.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3115 7.0786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 7.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 10.8014 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3397 10.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 9.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 6.6239 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.3762 4.2543 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4369 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 4.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4217 3.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5086 5.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3913 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 6.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 7.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0189 3.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1362 5.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 4.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7638 4.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4934 6.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1665 4.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 4.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7030 5.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 7.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1926 7.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 6.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 8.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 4.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 7.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2289 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0298 6.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 8.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 4.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 7.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 5.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9526 8.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7182 5.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 5.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 6.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 5.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 8.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 7.6712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5559 3.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 3.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7467 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 3.5695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8525 2.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3652 5.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7054 6.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4479 2.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9606 5.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 7.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8032 7.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 8.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0943 2.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4649 1.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 2.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6465 6.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1908 8.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 4.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0413 6.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6919 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4979 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7291 4.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 5.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5541 9.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3244 8.4680 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 7 2 0 0 0 0 1 36 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 45 1 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 3 13 2 0 0 0 0 3 46 1 0 0 0 0 5 87 1 0 0 0 0 8 88 1 0 0 0 0 14 19 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 26 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 2 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 21 34 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 35 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 36 1 0 0 0 0 23 37 2 0 0 0 0 24 38 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 39 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 30 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 63 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 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 40 2 0 0 0 0 34 42 1 0 0 0 0 35 41 2 0 0 0 0 35 43 1 0 0 0 0 36 44 2 0 0 0 0 37 47 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 45 1 0 0 0 0 40 76 1 0 0 0 0 41 46 1 0 0 0 0 41 77 1 0 0 0 0 42 49 2 0 0 0 0 42 78 1 0 0 0 0 43 50 2 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 45 51 2 0 0 0 0 46 52 2 0 0 0 0 47 48 2 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 49 51 1 0 0 0 0 49 83 1 0 0 0 0 50 52 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 52 86 1 0 0 0 0 M CHG 2 11 -1 15 1 M END $$$$ E0QG8L -OEChem-05082103072D 20 19 0 0 0 0 0 0 0999 V2000 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 M END $$$$ E0QK1M -OEChem-05082103062D 9 8 0 0 0 0 0 0 0999 V2000 2.8660 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0QK2X -OEChem-05082103102D 5 3 0 0 0 0 0 0 0999 V2000 0.6160 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 4.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 4 1 1 2 -1 3 -1 5 1 M END $$$$ E0QQ5H -OEChem-05082103142D 131119 0 1 0 0 0 0 0999 V2000 10.1060 5.8100 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 10.5390 17.5500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 1.4030 9.8350 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 9.2400 6.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.4050 17.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1060 7.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 18.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 6.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1060 4.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.6730 17.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.8380 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 18.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 10.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 14.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 14.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 8.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 16.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 16.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 18.5500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 10.3350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 10.3350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4030 8.8350 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5079 7.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 17.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 5.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 17.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 10.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 14.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 9.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 14.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 16.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 16.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 7.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1371 17.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7041 6.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2400 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9409 17.0500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5079 9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1060 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 10.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 14.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 8.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 14.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 17.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 17.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7759 7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7352 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3021 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 17.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 8.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 9.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5265 16.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9250 15.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4920 7.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0935 7.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3181 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 15.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 16.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6740 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2400 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 16.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 9.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2959 8.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 15.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 16.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7822 7.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 7.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8939 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 16.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4643 15.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 18.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5701 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8370 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 18.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4659 7.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2389 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0859 6.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0452 17.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2721 17.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4252 18.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9921 5.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8391 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6122 6.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1979 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8179 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 18.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 17.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0329 17.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 11.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 10.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8691 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4061 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4361 9.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9731 9.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5090 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4351 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 13.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 14.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 18.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 10.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 53 1 0 0 0 0 5 54 1 0 0 0 0 6 53 2 0 0 0 0 7 54 2 0 0 0 0 8 55 1 0 0 0 0 9 56 1 0 0 0 0 10 57 1 0 0 0 0 11 55 2 0 0 0 0 12 56 2 0 0 0 0 13 57 2 0 0 0 0 14 58 2 0 0 0 0 15 59 2 0 0 0 0 16 60 2 0 0 0 0 17 61 2 0 0 0 0 18 62 2 0 0 0 0 19 63 2 0 0 0 0 20 64 2 0 0 0 0 21 65 2 0 0 0 0 22 66 2 0 0 0 0 23 67 2 0 0 0 0 24128 1 0 0 0 0 25129 1 0 0 0 0 26130 1 0 0 0 0 27131 1 0 0 0 0 43 28 1 1 0 0 0 28 63 1 0 0 0 0 28 98 1 0 0 0 0 44 29 1 1 0 0 0 29 64 1 0 0 0 0 29 99 1 0 0 0 0 45 30 1 6 0 0 0 30 65 1 0 0 0 0 30100 1 0 0 0 0 46 31 1 6 0 0 0 31 66 1 0 0 0 0 31101 1 0 0 0 0 47 32 1 6 0 0 0 32 67 1 0 0 0 0 32102 1 0 0 0 0 33 58 1 0 0 0 0 33118 1 0 0 0 0 33119 1 0 0 0 0 34 59 1 0 0 0 0 34120 1 0 0 0 0 34121 1 0 0 0 0 35 60 1 0 0 0 0 35122 1 0 0 0 0 35123 1 0 0 0 0 36 61 1 0 0 0 0 36124 1 0 0 0 0 36125 1 0 0 0 0 37 62 1 0 0 0 0 37126 1 0 0 0 0 37127 1 0 0 0 0 38 43 1 0 0 0 0 38 48 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 39 44 1 0 0 0 0 39 49 1 0 0 0 0 39 75 1 0 0 0 0 39 76 1 0 0 0 0 40 45 1 0 0 0 0 40 50 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 41 46 1 0 0 0 0 41 51 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 42 47 1 0 0 0 0 42 52 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 43 53 1 0 0 0 0 43 83 1 0 0 0 0 44 54 1 0 0 0 0 44 84 1 0 0 0 0 45 55 1 0 0 0 0 45 85 1 0 0 0 0 46 56 1 0 0 0 0 46 86 1 0 0 0 0 47 57 1 0 0 0 0 47 87 1 0 0 0 0 48 58 1 0 0 0 0 48 88 1 0 0 0 0 48 89 1 0 0 0 0 49 59 1 0 0 0 0 49 90 1 0 0 0 0 49 91 1 0 0 0 0 50 60 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 51 61 1 0 0 0 0 51 94 1 0 0 0 0 51 95 1 0 0 0 0 52 62 1 0 0 0 0 52 96 1 0 0 0 0 52 97 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68103 1 0 0 0 0 68104 1 0 0 0 0 68105 1 0 0 0 0 69106 1 0 0 0 0 69107 1 0 0 0 0 69108 1 0 0 0 0 70109 1 0 0 0 0 70110 1 0 0 0 0 70111 1 0 0 0 0 71112 1 0 0 0 0 71113 1 0 0 0 0 71114 1 0 0 0 0 72115 1 0 0 0 0 72116 1 0 0 0 0 72117 1 0 0 0 0 M CHG 8 1 3 2 3 3 3 4 -1 5 -1 8 -1 9 -1 10 -1 M CHG 4 24 -1 25 -1 26 -1 27 -1 M END $$$$ E0QU2K -OEChem-05082103072D 65 67 0 0 0 0 0 0 0999 V2000 5.5450 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 5.7979 4.5921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 9.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 7.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 4.5680 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2678 4.5680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 6.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 5.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 5.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 5.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 7.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 4.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 4.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 6.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 6.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4639 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1960 5.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3242 3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 5.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 3.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 8.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0601 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 3.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6639 9.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9319 9.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 9.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6487 8.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 3.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 3.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 7.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0451 7.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 6.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 6.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5963 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7993 5.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1099 2.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7965 5.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9995 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 2.9862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 3.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 7.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3721 5.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 5.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 4.0256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8718 2.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 2.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2009 9.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3949 9.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7979 10.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 9.6804 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 34 1 0 0 0 0 3 65 1 0 0 0 0 4 34 2 0 0 0 0 5 12 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 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 7 14 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 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 25 1 0 0 0 0 14 26 2 0 0 0 0 15 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 27 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 29 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 30 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 31 2 0 0 0 0 25 34 1 0 0 0 0 26 32 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 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 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 33 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 M CHG 2 1 -1 5 1 M END $$$$ E0QV0V -OEChem-05082103122D 120117 0 0 0 0 0 0 0999 V2000 0.5369 5.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1254 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2594 9.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8608 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6579 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9948 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7919 8.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 6.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 10.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 6.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8154 6.3219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5694 9.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7963 10.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9494 10.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6002 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1111 1 0 0 0 0 2 41 1 0 0 0 0 2112 1 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 42 1 0 0 0 0 5118 1 0 0 0 0 6 43 1 0 0 0 0 6119 1 0 0 0 0 7 44 1 0 0 0 0 7120 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 12 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 18 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 21 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 19 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 20 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 23 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 22 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 26 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 25 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 28 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 27 1 0 0 0 0 24 77 1 0 0 0 0 24 78 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 30 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 31 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 32 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 33 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 34 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 91 1 0 0 0 0 31 92 1 0 0 0 0 32 36 1 0 0 0 0 32 93 1 0 0 0 0 32 94 1 0 0 0 0 33 37 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 34 38 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 39 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 36 40 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37 41 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 42 43 1 0 0 0 0 42 44 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 M END $$$$ E0QV6C -OEChem-05082103102D 58 58 0 0 0 0 0 0 0999 V2000 1.4030 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 10.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 8.8600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.6200 0.0000 O 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 2.3920 11.8600 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 2.3920 10.8600 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 4.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 12.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 11.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 11.8600 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 4.0010 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 10.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 10.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 9.3600 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 4.0010 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 9.3600 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 2.3920 8.8600 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 4.1241 7.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7550 4.6200 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 2.5150 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 12.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 13.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 12.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 11.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 12.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 12.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 11.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 11.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7950 10.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 9.0500 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 2.3920 8.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 10.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 2.6569 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 0.8469 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 7.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1241 7.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 7.8600 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 2 17 1 0 0 0 0 2 51 1 0 0 0 0 3 19 1 0 0 0 0 3 26 1 0 0 0 0 4 21 1 0 0 0 0 4 55 1 0 0 0 0 5 7 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 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 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 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 33 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 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 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 45 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 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 25 54 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 $$$$ E0QX7O -OEChem-05082103082D 73 73 0 0 0 0 0 0 0999 V2000 10.0021 7.2615 0.0000 Cl 0 5 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 5.7331 8.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 14.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0991 12.7540 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 3.1350 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.1200 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 4.8671 6.6200 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 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 5.5210 13.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 13.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3531 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 12.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 12.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 12.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 11.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 13.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 14.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1551 14.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 14.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 15.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 14.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5622 12.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 12.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 13.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 2.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 4.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 9.3100 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 5.0791 6.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 6.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.5123 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 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 24 1 0 0 0 0 3 28 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 4 19 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 10 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 13 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 34 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 10 39 1 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 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 20 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 21 1 0 0 0 0 15 51 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 23 2 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 58 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 64 1 0 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 26 30 2 0 0 0 0 26 66 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 31 2 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$ E0QY1F -OEChem-05082103152D 21 13 0 0 0 0 0 0 0999 V2000 0.8660 7.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 5.5000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 4.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 8.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 M END $$$$ E0R0WE -OEChem-05082103132D 54 53 0 0 0 0 0 0 0999 V2000 2.5369 -2.2500 0.0000 O 0 0 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 12.9292 0.7500 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 12.9292 1.7500 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 6.8671 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -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 6.0010 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -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 5.1350 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -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 14.6613 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3187 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4058 2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1847 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 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 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 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 7 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 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 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 10 14 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 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 17 2 0 0 0 0 16 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 19 53 1 0 0 0 0 M END $$$$ E0R2GM -OEChem-05082103132D 47 47 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 6.0010 -0.5000 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 4.2690 -3.5000 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 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 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 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 2 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 3.4030 -1.0000 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 6.8671 1.0000 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 2.5369 -0.5000 0.0000 C 0 0 0 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 2.0000 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 -2.6200 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 5.1350 -0.3800 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 3.4030 -0.3800 0.0000 H 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 7.4040 1.3100 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 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 6.3301 1.6900 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 3.7320 -3.8100 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 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.6077 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 3.7320 0.8100 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 6.0010 3.1200 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 8.2700 3.8100 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 14 2 1 6 0 0 0 17 2 1 6 0 0 0 12 3 1 6 0 0 0 3 35 1 0 0 0 0 13 4 1 1 0 0 0 4 36 1 0 0 0 0 15 5 1 6 0 0 0 5 37 1 0 0 0 0 18 6 1 1 0 0 0 6 42 1 0 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 21 9 1 1 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 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 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 1 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 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 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0R3DX -OEChem-05082103092D 61 60 0 1 0 0 0 0 0999 V2000 15.8564 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0950 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 9.7942 -0.4050 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 6.3301 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 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 11.5263 -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 12.3923 0.0950 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 13.2583 -0.4050 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 14.1244 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 14.9904 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4545 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.5699 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 12.8598 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 0.5699 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 16.3239 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.2150 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 20 2 0 0 0 0 3 22 1 0 0 0 0 3 60 1 0 0 0 0 4 23 1 0 0 0 0 4 61 1 0 0 0 0 5 6 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 10 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 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 16 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 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 20 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 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 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 M END $$$$ E0R3FK -OEChem-05082103072D 46 46 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 6.0010 -0.5000 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 6.0010 -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 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 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 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 2 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 3.4030 -1.0000 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 6.8671 1.0000 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 2.5369 -0.5000 0.0000 C 0 0 0 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 2.0000 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 3.7320 -2.8100 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 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 3.4030 -0.3800 0.0000 H 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 7.4040 1.3100 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 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 6.3301 1.6900 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 3.7320 -3.8100 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 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 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 3.7320 0.8100 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 6.0010 3.1200 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 8.2700 3.8100 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 16 2 1 1 0 0 0 18 2 1 6 0 0 0 13 3 1 1 0 0 0 3 37 1 0 0 0 0 14 4 1 6 0 0 0 4 36 1 0 0 0 0 15 5 1 1 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 41 1 0 0 0 0 20 7 1 6 0 0 0 7 42 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 22 9 1 1 0 0 0 9 44 1 0 0 0 0 10 23 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 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 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 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ E0R5ZD -OEChem-05082103152D 16 14 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$ E0R7KQ -OEChem-05082103042D 3 2 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 M END $$$$ E0R8DK -OEChem-05082103142D 13 10 0 0 0 0 0 0 0999 V2000 4.3066 -0.5995 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7071 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3066 -2.0137 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 4.3066 2.0137 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 5.2304 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3827 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -1.3066 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0137 -1.3066 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2304 1.6310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3827 1.6310 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.6131 0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 2 0 0 0 0 M CHG 6 4 2 5 2 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0R8WC -OEChem-05082103072D 70 69 0 0 0 0 0 0 0999 V2000 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 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 16.3933 0.7500 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 17.2594 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.7500 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 18.9914 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.7500 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 20.7235 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 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 22.4555 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 23.3215 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 6.8671 0.2500 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 4.2690 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 16.7919 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0570 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8540 -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 23.6315 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8585 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0115 1.2869 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 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 4.6675 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 3.0044 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.2249 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 70 1 0 0 0 0 5 6 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 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 11 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 13 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 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 18 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 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 22 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 21 61 1 0 0 0 0 23 24 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 25 26 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 M END $$$$ E0R9NS -OEChem-05082103052D 2 1 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M END $$$$ E0RE5T -OEChem-05082103142D 58 58 0 1 0 0 0 0 0999 V2000 5.0298 -4.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -4.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -6.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -2.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -4.8807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -5.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -3.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -5.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -3.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -4.2683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -5.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -2.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -6.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -5.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -3.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -2.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 7.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6630 7.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 39 1 0 0 0 0 9 3 1 6 0 0 0 3 44 1 0 0 0 0 10 4 1 6 0 0 0 4 49 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 6 0 0 0 8 9 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 10 12 1 0 0 0 0 10 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 13 14 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 17 1 0 0 0 0 14 35 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 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 40 1 0 0 0 0 17 41 1 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 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 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 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$ E0RF4X -OEChem-05082103122D 57 54 0 1 0 0 0 0 0999 V2000 2.8660 -2.3100 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.9282 3.1900 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 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 8.0622 3.6900 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.3100 0.0000 O 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 5.4641 3.1900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 N 0 0 3 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 -3.8100 0.0000 N 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 5.4641 0.1900 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 5.4641 -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 4.5981 3.6900 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 6.3301 3.6900 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 3.7320 -0.8100 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 5.4641 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 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 2.0000 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.2977 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 3.5200 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.3351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.3351 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 6.0010 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 0 0 0 4 25 2 0 0 0 0 5 26 2 0 0 0 0 6 27 2 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 28 2 0 0 0 0 10 29 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 20 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 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 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 27 1 0 0 0 0 15 31 1 0 0 0 0 15 51 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 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 25 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 26 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 22 45 1 0 0 0 0 23 28 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 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 M CHG 5 1 2 2 1 3 -1 7 -1 8 -1 M END $$$$ E0RL2A -OEChem-05082103072D 18 17 0 1 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M END $$$$ E0RN8T -OEChem-05082103142D 3 0 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 M CHG 3 1 -1 2 -1 3 2 M END $$$$ E0RS6F -OEChem-05082103152D 66 64 0 0 0 0 0 0 0999 V2000 22.7846 0.2500 0.0000 Na 0 3 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 18.4545 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.0526 1.2500 0.0000 O 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 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 8.0622 -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 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 16.7224 -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 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 20.1865 -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 9.3957 -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 9.3267 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 11.0588 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 7.6636 -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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 14.5229 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 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.3335 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 15.4579 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 3.2646 -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 17.1210 -0.7249 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 19.3205 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 27 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 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 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 12 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 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 16 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 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 62 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 25 26 2 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 M CHG 2 1 1 4 -1 M END $$$$ E0RW1K -OEChem-05082103092D 39 34 0 0 0 0 0 0 0999 V2000 4.8301 1.4232 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6748 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6748 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 6.8301 -2.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 0.5572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 2.2893 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1748 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 1.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3982 4.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 -0.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 3.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7415 0.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0843 -2.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9447 -1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6657 5.2341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 4.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5201 -2.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 0.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 19 1 0 0 0 0 5 39 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 26 1 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 26 2 0 0 0 0 15 27 2 0 0 0 0 16 28 2 0 0 0 0 17 29 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 21 27 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 28 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 29 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M CHG 8 1 2 2 2 3 2 6 -1 7 -1 10 -1 11 -1 12 -1 M CHG 1 13 -1 M END $$$$ E0S1ZN -OEChem-05082103062D 74 77 0 1 0 0 0 0 0999 V2000 2.5357 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8750 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5179 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1832 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4739 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0672 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1781 2.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22 1 1 1 0 0 0 1 65 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 2 14 1 1 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 6 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 1 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 6 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 6 0 0 0 7 10 1 0 0 0 0 7 33 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 18 1 1 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 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 6 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 17 2 0 0 0 0 15 19 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 49 1 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 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 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 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 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 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 28 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 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 M END $$$$ E0S4FH -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 M CHG 3 2 2 3 -1 4 -1 M END $$$$ E0S6MC -OEChem-05082103112D 12 12 0 0 0 0 0 0 0999 V2000 4.8479 1.6739 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.0861 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1401 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -1.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8956 1.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0S7FK -OEChem-05082103162D 20 20 0 1 0 0 0 0 0999 V2000 5.0298 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 1.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -2.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 1.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4118 -0.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 -1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 2.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6238 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 1 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0S8LC -OEChem-05082103152D 11 6 0 0 0 0 0 0 0999 V2000 1.7320 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 0.8660 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.7320 2.5981 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5981 1.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 0.3660 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2320 1.7320 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1951 4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 M CHG 6 2 1 3 1 4 1 5 -1 6 -1 7 -1 M END $$$$ E0SA9J -OEChem-05082103132D 16 15 0 0 0 0 0 0 0999 V2000 2.5369 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0SF4Y -OEChem-05082103042D 9 8 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0SG3E -OEChem-05082103122D 74 77 0 0 0 0 0 0 0999 V2000 2.0000 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 -5.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 -3.3840 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 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 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 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 8.9282 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.2500 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 7.1962 -2.7500 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 10.6603 -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 6.3301 -2.2500 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 8.0622 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 5.4641 -3.7500 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 1.7500 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 7.1962 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.2847 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 9.8622 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7708 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 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 3.7320 5.2500 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 2.8660 3.7500 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 2.0000 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -5.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -6.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -6.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -5.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8700 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 7.1962 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.0829 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 5.4641 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.2131 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 4.0420 -3.2869 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 6.0841 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 28 1 0 0 0 0 6 63 1 0 0 0 0 7 32 2 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 9 40 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 26 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 62 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 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 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 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 25 2 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 32 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 31 34 1 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 37 41 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 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 41 2 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 M END $$$$ E0SJ4H -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 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 8.5991 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 2 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 7.7331 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 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 7.4040 0.1900 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 6.0010 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 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 4.5981 -2.8100 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 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 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 3.4030 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 14 1 1 1 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 13 4 1 1 0 0 0 4 38 1 0 0 0 0 16 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 1 0 0 0 6 40 1 0 0 0 0 18 7 1 1 0 0 0 7 41 1 0 0 0 0 20 8 1 6 0 0 0 8 42 1 0 0 0 0 21 9 1 1 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 15 1 0 0 0 0 12 24 1 0 0 0 0 13 20 1 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 15 22 1 1 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 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 1 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 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 $$$$ E0SK6B -OEChem-05082103142D 22 17 0 1 0 0 0 0 0999 V2000 6.0622 1.3100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 1.8100 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4641 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8660 1.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3301 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0311 7.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5981 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 7.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 3 1 1 0 0 0 3 17 1 0 0 0 0 12 4 1 1 0 0 0 4 18 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0SL8I -OEChem-05082103112D 79 78 0 0 0 0 0 0 0999 V2000 12.6832 8.8700 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.1350 5.6200 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 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.8671 7.6200 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 5.7331 9.1200 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 5.7331 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 12.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 13.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.6200 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 2.2690 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 15.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 16.1200 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 2.2690 1.1200 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 10.0632 16.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 17.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 7.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 7.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 8.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 9.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 10.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 10.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 12.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 11.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 11.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 12.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 13.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8546 13.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5432 13.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 13.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 15.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 14.5123 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 2.8059 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 14.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8078 15.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9851 16.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 16.0123 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 2.8059 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 16.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 16.7277 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 10.6832 17.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 18.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4432 17.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 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 9 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 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 12 14 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 54 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 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 23 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 1 0 0 0 0 21 66 1 0 0 0 0 22 26 2 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 28 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 27 2 0 0 0 0 25 72 1 0 0 0 0 26 27 1 0 0 0 0 26 73 1 0 0 0 0 27 76 1 0 0 0 0 28 29 1 0 0 0 0 28 74 1 0 0 0 0 28 75 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 M CHG 2 1 -1 2 1 M END $$$$ E0SM9B -OEChem-05082103052D 8 7 0 0 0 0 0 0 0999 V2000 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0SZ4A -OEChem-05082103102D 25 25 0 0 0 0 0 0 0999 V2000 2.6723 2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 1.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 1.2264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.7759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 -0.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 -0.8981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -1.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 2.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2906 2.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$ E0T0AE -OEChem-05082103082D 98 97 0 0 0 0 0 0 0999 V2000 15.8564 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.7500 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 21.0526 0.7500 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 24.5167 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 9.7942 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 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 6.3301 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 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 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 12.3923 0.7500 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 27.1147 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 13.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 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 14.1244 0.7500 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 28.8468 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 0.7500 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 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 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 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0228 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4028 1.2869 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 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 32 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 6 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 13 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 14 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 15 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 17 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 18 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 16 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 19 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 20 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 21 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 22 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 23 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 24 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 25 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 28 1 0 0 0 0 24 77 1 0 0 0 0 24 78 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 30 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 31 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 32 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 33 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 34 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 M END $$$$ E0T0EN -OEChem-05082103112D 19 19 0 1 0 0 0 0 0999 V2000 2.0000 0.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -0.8649 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5691 0.0861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9511 0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 -1.4815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 -0.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 -0.7679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 0.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -1.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -2.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -2.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7117 -0.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 0.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 0.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0T0VW -OEChem-05082103092D 49 49 0 0 0 0 0 0 0999 V2000 3.8000 3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.7742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.7942 3.7808 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.9340 5.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 4.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3000 4.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9263 4.2775 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5655 2.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5588 4.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6660 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 1.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1300 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 22 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 2 28 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 30 1 0 0 0 0 7 24 1 0 0 0 0 7 49 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 35 2 0 0 0 0 27 31 1 0 0 0 0 27 36 2 0 0 0 0 28 32 1 0 0 0 0 29 32 2 0 0 0 0 29 41 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 32 42 1 0 0 0 0 33 34 1 0 0 0 0 33 43 1 0 0 0 0 34 44 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 38 2 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 8 -1 11 -1 14 -1 M END $$$$ E0T1GY -OEChem-05082103082D 14 13 0 0 0 0 0 0 0999 V2000 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0T1JI -OEChem-05082103162D 61 60 0 0 0 0 0 0 0999 V2000 2.8660 -5.6830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.1830 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1830 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 -6.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 7.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 5.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8170 0.0000 C 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 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 6.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 5.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8162 4.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 4.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 4.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 6.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 7.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 7.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 7.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 7.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 6.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0252 5.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8722 4.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 5.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 0.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -2.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -5.0754 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 28 1 0 0 0 0 3 22 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 26 1 0 0 0 0 5 27 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 14 1 0 0 0 0 10 11 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 29 1 0 0 0 0 11 30 1 0 0 0 0 12 18 2 0 0 0 0 12 19 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 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 43 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 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 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 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 27 28 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 M CHG 2 2 1 6 -1 M END $$$$ E0T1MM -OEChem-05082103132D 8 7 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0T1XN -OEChem-05082103082D 69 68 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 12.0632 -0.2500 0.0000 C 0 0 0 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 11.1972 0.2500 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 10.3312 -0.2500 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 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 8.5991 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 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 17.2594 -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 18.1254 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 18.9914 -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 19.8574 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 20.7235 -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 21.5895 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.7249 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 9.8637 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 15.1288 -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 8.2006 -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 16.7919 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 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 7.3346 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 -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 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 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 5.6025 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 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 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -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 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8995 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2795 0.7869 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 22 1 0 0 0 0 1 69 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 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 12 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 11 43 1 0 0 0 0 12 14 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 16 1 0 0 0 0 14 48 1 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 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 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 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 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 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 23 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 M END $$$$ E0T2AJ -OEChem-05082103062D 29 28 0 0 0 0 0 0 0999 V2000 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$ E0T2PX -OEChem-05082103082D 43 42 0 0 0 0 0 0 0999 V2000 3.4030 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 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 2.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 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 12.0632 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.5000 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 13.7953 -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 14.6613 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.4749 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 14.9713 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 1.0369 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 1 2 1 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 2 16 1 0 0 0 0 3 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 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 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 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 14 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 13 33 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 17 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 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END $$$$ E0T2WF -OEChem-05082103152D 7 5 0 0 0 0 0 0 0999 V2000 2.5981 0.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 2.5000 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 M END $$$$ E0T3DO -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0T3FM -OEChem-05082103142D 74 74 0 1 0 0 0 0 0999 V2000 5.0298 -7.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -5.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -4.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -6.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -7.1307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -8.0817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -5.5429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -8.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -5.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -0.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -2.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 6.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -3.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 6.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 4.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 7.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 3.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 8.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 9.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -6.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -6.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -8.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -8.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -8.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -5.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.2365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -1.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -2.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 0.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -2.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 0.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 6.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 7.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 5.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 4.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 7.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 6.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 4.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 5.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 2.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 1.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 7.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 8.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 4.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.3745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 8.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 7.8745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9539 3.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5729 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 10.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 9.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 39 1 0 0 0 0 9 3 1 6 0 0 0 3 40 1 0 0 0 0 10 4 1 6 0 0 0 4 41 1 0 0 0 0 5 12 1 0 0 0 0 5 21 1 0 0 0 0 6 21 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 6 0 0 0 8 9 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 12 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 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 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 50 1 0 0 0 0 17 51 1 0 0 0 0 18 24 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 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 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 25 1 0 0 0 0 22 58 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 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 28 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 29 2 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 68 1 0 0 0 0 28 69 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 30 74 1 0 0 0 0 M END $$$$ E0T3HF -OEChem-05082103102D 6 3 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0T3JQ -OEChem-05082103112D 9 6 0 1 0 0 0 0 0999 V2000 2.0000 -0.3170 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.8170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 9 2 0 0 0 0 M CHG 4 1 1 2 1 5 -1 8 -1 M END $$$$ E0T4TW -OEChem-05082103052D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0T5CX -OEChem-05082103122D 54 52 0 0 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 5.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 4.5230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 5.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 4.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1938 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9713 0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3513 1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4307 5.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 5.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7676 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 4.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8982 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7631 4.7130 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 2 0 0 0 0 1 5 2 0 0 0 0 2 18 1 0 0 0 0 3 47 1 0 0 0 0 6 21 1 0 0 0 0 6 54 1 0 0 0 0 7 20 1 0 0 0 0 7 52 1 0 0 0 0 7 53 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 14 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 13 33 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 17 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 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 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 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 M END $$$$ E0T6IU -OEChem-04012200582D 139138 0 1 0 0 0 0 0999 V2000 6.3301 -6.5670 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -7.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -5.7010 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 -7.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.4545 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 6.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.0670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -6.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 7.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 2.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 1.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 0.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 0.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -0.6746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 3.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 4.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -2.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -1.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 6.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 5.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -5.5920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -7.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -7.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 -1.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 -2.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 5.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 6.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -7.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -7.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -7.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -6.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -5.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -5.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -6.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -6.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -2.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 7.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 6.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5587 -6.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7856 -5.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9387 -5.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 6.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 7.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 7.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -4.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -5.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -7.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -7.0419 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 8 1 0 0 0 0 1 9 2 0 0 0 0 2 44 1 0 0 0 0 47 3 1 1 0 0 0 3 48 1 0 0 0 0 4 50 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 0 0 0 0 6 48 2 0 0 0 0 7 50 2 0 0 0 0 10 36 1 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 13 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 14 1 0 0 0 0 12 56 1 0 0 0 0 12 57 1 0 0 0 0 13 15 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 16 1 0 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 17 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 18 1 0 0 0 0 16 64 1 0 0 0 0 16 65 1 0 0 0 0 17 19 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 18 24 1 0 0 0 0 18 68 1 0 0 0 0 18 69 1 0 0 0 0 19 25 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 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 26 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 27 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 31 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 84 1 0 0 0 0 26 85 1 0 0 0 0 27 29 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 32 1 0 0 0 0 28 88 1 0 0 0 0 28 89 1 0 0 0 0 29 33 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 34 1 0 0 0 0 30 92 1 0 0 0 0 30 93 1 0 0 0 0 31 35 1 0 0 0 0 31 94 1 0 0 0 0 31 95 1 0 0 0 0 32 37 1 0 0 0 0 32 96 1 0 0 0 0 32 97 1 0 0 0 0 33 38 1 0 0 0 0 33 98 1 0 0 0 0 33 99 1 0 0 0 0 34 42 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35 43 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 44 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 37 45 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38 46 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 39112 1 0 0 0 0 40113 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41116 1 0 0 0 0 41117 1 0 0 0 0 41118 1 0 0 0 0 42 48 1 0 0 0 0 42119 1 0 0 0 0 42120 1 0 0 0 0 43 49 1 0 0 0 0 43121 1 0 0 0 0 43122 1 0 0 0 0 44123 1 0 0 0 0 44124 1 0 0 0 0 45 50 1 0 0 0 0 45125 1 0 0 0 0 45126 1 0 0 0 0 46 51 1 0 0 0 0 46127 1 0 0 0 0 46128 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 47129 1 0 0 0 0 49130 1 0 0 0 0 49131 1 0 0 0 0 49132 1 0 0 0 0 51133 1 0 0 0 0 51134 1 0 0 0 0 51135 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 53138 1 0 0 0 0 53139 1 0 0 0 0 M CHG 2 8 -1 10 1 M END $$$$ E0T6SJ -OEChem-05082103152D 64 62 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 2.0000 -0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0000 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 -0.0000 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 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 17.5885 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.5000 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 19.3205 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.0000 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 -0.0000 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 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3215 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0946 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.9749 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 5.0656 -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 1 6 1 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 3 20 1 0 0 0 0 3 22 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 27 1 0 0 0 0 10 11 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 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 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 18 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 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 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 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 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 27 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 M CHG 2 2 1 7 -1 M END $$$$ E0T6UJ -OEChem-05082103102D 8 5 0 0 0 0 0 0 0999 V2000 5.1350 -0.4330 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 1.2990 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9030 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9030 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0T9HR -OEChem-05082103132D 5 4 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0TB1K -OEChem-05082103112D 26 24 0 1 0 0 0 0 0999 V2000 6.6116 2.6550 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 4.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6106 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5547 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3985 1.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 9 4 1 6 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$ E0TB6W -OEChem-05082103152D 12 10 0 1 0 0 0 0 0999 V2000 2.0000 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0TD8C -OEChem-05082103062D 14 13 0 1 0 0 0 0 0999 V2000 2.5369 -1.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 5 4 1 6 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0TF8N -OEChem-05082103152D 48 46 0 0 0 0 0 0 0999 V2000 3.7320 0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0670 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5670 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 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0324 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4124 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0419 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 7 2 0 0 0 0 1 21 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 20 2 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 14 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 13 33 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 17 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 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 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 21 47 1 0 0 0 0 21 48 1 0 0 0 0 M CHG 2 2 1 5 -1 M END $$$$ E0TH0K -OEChem-05082103062D 27 28 0 1 0 0 0 0 0999 V2000 7.2566 1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 0.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 2.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 8 4 1 1 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$ E0TI0V -OEChem-05082103162D 52 53 0 1 0 0 0 0 0999 V2000 4.2838 -0.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2838 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -2.4237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 -3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 2.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 -1.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 -3.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 3.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 0.7024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2838 -1.1636 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9178 1.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9748 -2.1146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7838 -2.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9178 2.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5929 -2.1146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7838 2.7024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6499 2.2024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2838 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5439 -2.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5159 2.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2838 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7838 0.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 -2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9178 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0313 -1.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 3.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1868 1.8924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7012 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3915 -0.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -0.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 -2.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6302 -1.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7280 2.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1265 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5149 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 -3.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 -0.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3415 -3.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4038 0.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4738 1.2394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 14 4 1 6 0 0 0 4 42 1 0 0 0 0 15 5 1 6 0 0 0 5 43 1 0 0 0 0 16 6 1 1 0 0 0 6 44 1 0 0 0 0 17 7 1 1 0 0 0 7 45 1 0 0 0 0 19 8 1 6 0 0 0 8 47 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 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 27 1 0 0 0 0 15 16 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 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 6 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 24 1 1 0 0 0 20 33 1 0 0 0 0 21 25 1 0 0 0 0 21 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 23 38 1 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 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$ E0TK4J -OEChem-05082103092D 49 49 0 0 0 0 0 0 0999 V2000 4.5981 0.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1604 -3.7772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7329 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 5.2671 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2771 -5.2671 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.1282 1.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2329 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5981 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3660 4.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1488 -4.7771 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1605 -3.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1604 -3.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 0.7325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 0.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 -2.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9314 -2.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 -0.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8434 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8554 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 4.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 -2.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -0.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 -3.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9553 -0.1431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3755 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3947 -0.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 2.0509 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 21 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 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 3 16 2 0 0 0 0 3 30 1 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 29 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 32 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 35 2 0 0 0 0 28 31 1 0 0 0 0 28 36 2 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 31 34 2 0 0 0 0 32 42 1 0 0 0 0 33 34 1 0 0 0 0 33 43 1 0 0 0 0 34 44 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 36 38 1 0 0 0 0 36 46 1 0 0 0 0 37 38 2 0 0 0 0 37 47 1 0 0 0 0 38 48 1 0 0 0 0 M CHG 6 4 1 5 1 6 1 8 -1 11 -1 14 -1 M END $$$$ E0TR1W -OEChem-05082103082D 15 12 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0TR9B -OEChem-05082103132D 7 4 0 0 0 0 0 0 0999 V2000 3.0000 -0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 Al 0 1 0 0 0 0 0 0 0 0 0 0 3.8660 1.2500 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 M CHG 6 2 3 3 2 4 -1 5 -1 6 -1 7 -1 M END $$$$ E0TU6R -OEChem-05082103112D 15 15 0 0 0 0 0 0 0999 V2000 3.7320 -0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E0TZ9C -OEChem-05082103132D 12 10 0 0 0 0 0 0 0999 V2000 0.0000 2.1200 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7320 2.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.6569 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8660 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 4.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 5.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$ E0U0XD -OEChem-05082103142D 15 13 0 1 0 0 0 0 0999 V2000 5.5006 -0.7886 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1204 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 -1.4121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5006 0.2114 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1204 -1.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 1.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.2886 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 0.6124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7439 -1.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.8135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 1.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 1.9714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0U1SV -OEChem-04012200502D 120119 0 0 0 0 0 0 0999 V2000 17.5885 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 0.4050 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 30.5788 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -0.0950 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 31.4449 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 0.4050 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 32.3109 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -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 33.1769 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 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 34.0429 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -0.0950 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 34.9090 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 0.4050 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 35.7750 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -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 36.6410 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -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 4.1306 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5104 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3075 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.1735 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.3765 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -0.5699 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 1.4631 -0.4050 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 36.3310 -0.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1780 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.9510 0.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7836 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 43 1 0 0 0 0 2 41 1 0 0 0 0 2 44 1 0 0 0 0 3 40 2 0 0 0 0 4 41 2 0 0 0 0 5 42 1 0 0 0 0 5120 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 13 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 17 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 18 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 19 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 20 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 21 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 22 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 25 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 26 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 27 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 28 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 29 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 30 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 31 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 32 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 33 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 34 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 35 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 36 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 37 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 38 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 39 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36 40 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 37 41 1 0 0 0 0 37107 1 0 0 0 0 37108 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 38111 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 39114 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 43116 1 0 0 0 0 43117 1 0 0 0 0 44118 1 0 0 0 0 44119 1 0 0 0 0 M END $$$$ E0U2AB -OEChem-05082103112D 54 58 0 0 0 0 0 0 0999 V2000 4.6660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 2.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 2.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -3.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 3.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 3.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -4.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -2.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 4.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 4.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 2.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -3.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 -1.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 3.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -4.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 2.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -2.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 4.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -4.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 -4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 -3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 4.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 4.6078 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 7 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 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 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 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 16 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 34 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 21 2 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 24 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 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 45 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 31 50 1 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 32 54 1 0 0 0 0 M END $$$$ E0U2CF -OEChem-05082103122D 127130 0 1 0 0 0 0 0999 V2000 17.5883 -3.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7281 -2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 -0.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9814 -1.6074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1154 -2.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2494 -1.6074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9276 -0.3027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1154 -0.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3394 -2.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.9276 -1.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 -0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5113 -1.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1315 -3.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2383 0.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9814 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3313 -3.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4125 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2334 -3.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3471 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3959 -3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4647 -2.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2168 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4563 -3.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5705 1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5275 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5060 2.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8166 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7242 -3.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8563 -3.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7952 3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1488 3.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9922 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1243 -3.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2602 -3.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3922 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5281 -3.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 -3.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7961 -3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -3.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -3.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0714 -2.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8548 -2.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9855 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7674 -0.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5139 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7169 0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6766 -2.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4650 -2.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0373 -0.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6388 -0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -1.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9721 -0.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3495 -3.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7406 -3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6316 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6014 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9814 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3614 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8207 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0226 -1.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2358 -4.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9671 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3519 -0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7271 -1.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9986 -4.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7969 -4.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2601 -1.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8530 -2.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2374 0.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8306 0.7667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4551 -3.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0319 1.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1564 1.8536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1090 0.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5069 2.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9137 1.8919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5265 1.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1198 1.9234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0093 3.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4559 -4.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2530 -4.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9230 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4018 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.6673 3.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6103 4.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7347 4.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.6873 3.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3926 -2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5955 -2.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7239 -4.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5210 -4.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6605 -2.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8635 -2.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9919 -4.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7889 -4.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9285 -2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 -2.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2598 -4.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0569 -4.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1965 -2.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3994 -2.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -4.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4644 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6674 -2.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -4.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 -4.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -4.0864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -4.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -2.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -2.6332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -4.0798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -4.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -2.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -3.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.9076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -4.1378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 1 0 0 0 1 28 1 0 0 0 0 2 28 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 15 1 1 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 48 1 6 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 49 1 1 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 50 1 6 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 51 1 6 0 0 0 8 11 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 16 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 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 18 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 22 1 0 0 0 0 14 24 1 6 0 0 0 14 62 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 66 1 0 0 0 0 17 67 1 0 0 0 0 18 68 1 0 0 0 0 19 69 1 0 0 0 0 19 70 1 0 0 0 0 19 71 1 0 0 0 0 20 23 1 0 0 0 0 20 72 1 0 0 0 0 20 73 1 0 0 0 0 21 23 1 0 0 0 0 21 74 1 0 0 0 0 21 75 1 0 0 0 0 22 25 1 0 0 0 0 22 76 1 0 0 0 0 22 77 1 0 0 0 0 23 78 1 0 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 26 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 26 27 1 0 0 0 0 26 84 1 0 0 0 0 26 85 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 86 1 0 0 0 0 28 29 1 0 0 0 0 29 32 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 31 94 1 0 0 0 0 32 33 1 0 0 0 0 32 95 1 0 0 0 0 32 96 1 0 0 0 0 33 34 1 0 0 0 0 33 97 1 0 0 0 0 33 98 1 0 0 0 0 34 35 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 35 36 1 0 0 0 0 35101 1 0 0 0 0 35102 1 0 0 0 0 36 37 1 0 0 0 0 36103 1 0 0 0 0 36104 1 0 0 0 0 37 38 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 38 39 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39 40 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 40 41 1 0 0 0 0 40111 1 0 0 0 0 40112 1 0 0 0 0 41 42 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42115 1 0 0 0 0 42116 1 0 0 0 0 43 44 1 0 0 0 0 43117 1 0 0 0 0 43118 1 0 0 0 0 44 45 1 0 0 0 0 44119 1 0 0 0 0 44120 1 0 0 0 0 45 46 1 0 0 0 0 45121 1 0 0 0 0 45122 1 0 0 0 0 46 47 1 0 0 0 0 46123 1 0 0 0 0 46124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 47127 1 0 0 0 0 M END $$$$ E0U2IQ -OEChem-05082103092D 110109 0 0 0 0 0 0 0999 V2000 17.5885 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 0.7500 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 9.7942 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 8.9282 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 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 0.7500 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 7.1962 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 21.9186 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 6.3301 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 21.0526 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 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 14.1244 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 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 14.9904 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 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 15.8564 0.7500 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 32.3109 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 16.7224 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 0.7500 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 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.4869 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.7138 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.8669 1.2869 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 1 33 1 0 0 0 0 1 36 1 0 0 0 0 2 36 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 8 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 12 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 13 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 17 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 18 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 16 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 19 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 20 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 21 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 22 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 23 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 24 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 25 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 26 1 0 0 0 0 22 77 1 0 0 0 0 22 78 1 0 0 0 0 23 27 1 0 0 0 0 23 79 1 0 0 0 0 23 80 1 0 0 0 0 24 28 1 0 0 0 0 24 81 1 0 0 0 0 24 82 1 0 0 0 0 25 29 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 30 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 31 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 32 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 33 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 34 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 35 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 36 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 37 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35 38 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 37105 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 38110 1 0 0 0 0 M END $$$$ E0U2KA -OEChem-05082103152D 62 59 0 0 0 0 0 0 0999 V2000 18.4545 0.0950 0.0000 Al 0 0 0 0 0 1 0 0 0 0 0 0 17.5885 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.0950 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 12.3923 0.5950 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 13.2583 0.0950 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 14.1244 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 14.9904 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 15.8564 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9175 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 23 1 0 0 0 0 3 23 2 0 0 0 0 4 59 1 0 0 0 0 4 60 1 0 0 0 0 5 61 1 0 0 0 0 5 62 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 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 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 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 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 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 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 22 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 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 22 58 1 0 0 0 0 M END $$$$ E0U3AI -OEChem-05082103082D 111108 0 0 0 0 0 0 0999 V2000 18.4545 0.2500 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 17.5885 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.3205 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.7224 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.7500 0.0000 O 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 27.9808 0.7500 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 27.1147 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 28.8468 0.2500 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 26.2487 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 29.7128 0.7500 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 25.3827 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 30.5788 0.2500 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 24.5167 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 31.4449 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 23.6506 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 32.3109 0.2500 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 22.7846 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 33.1769 0.7500 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 21.9186 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 34.0429 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.7500 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 34.9090 0.7500 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 20.1865 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -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 6.7287 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1803 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9774 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8434 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.0463 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -0.2249 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 31.9124 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5229 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7258 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -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 3.2646 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 1.2250 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 35.2190 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.4459 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5990 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 4 40 2 0 0 0 0 5 41 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 12 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 13 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 11 15 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 12 16 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 17 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 18 1 0 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 29 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 30 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 88 1 0 0 0 0 29 89 1 0 0 0 0 30 34 1 0 0 0 0 30 90 1 0 0 0 0 30 91 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 38108 1 0 0 0 0 39109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0U3EK -OEChem-05082103112D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0U4QR -OEChem-05082103092D 43 45 0 0 0 0 0 0 0999 V2000 7.6378 -4.4892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 4.9902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 -0.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 2.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6378 -4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 -4.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7201 1.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 5.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 4.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 5.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -0.4892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4468 0.0986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 1.8586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5555 1.7541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -1.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8288 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1378 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6378 -3.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5039 -2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 -2.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7256 1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 4.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 2.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0365 -0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 -3.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -3.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 3.2028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0389 4.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 3.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1748 -5.7992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 3.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 26 1 0 0 0 0 3 17 2 0 0 0 0 4 41 1 0 0 0 0 5 25 1 0 0 0 0 5 42 1 0 0 0 0 8 25 2 0 0 0 0 9 43 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 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 27 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 19 2 0 0 0 0 18 25 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 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 37 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M END $$$$ E0U6KS -OEChem-05082103102D 16 14 0 1 0 0 0 0 0999 V2000 1.3360 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.6200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 3.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 3.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0U7LV -OEChem-05082103142D 41 42 0 1 0 0 0 0 0999 V2000 4.2690 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -2.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -0.5950 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 6.8671 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9050 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 1.9050 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 9.4651 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.4750 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 1.9264 -0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 0.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.7150 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 11 2 1 1 0 0 0 2 13 1 0 0 0 0 7 3 1 1 0 0 0 3 29 1 0 0 0 0 8 4 1 6 0 0 0 4 30 1 0 0 0 0 9 5 1 6 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 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 8 10 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 10 12 1 1 0 0 0 10 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 14 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 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 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 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ E0U9HW -OEChem-05082103122D 24 24 0 1 0 0 0 0 0999 V2000 5.1350 -0.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.5205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 0.9795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 1.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 1.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -1.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -1.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 7 2 1 1 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 9 4 1 1 0 0 0 4 22 1 0 0 0 0 10 5 1 6 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0U9NK -OEChem-05082103052D 27 27 0 0 0 0 0 0 0999 V2000 3.4030 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0UO2K -OEChem-05082103152D 70 70 0 1 0 0 0 0 0999 V2000 5.0298 -6.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 -6.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -8.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -4.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -3.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -5.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 -6.3807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7208 -7.3317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2208 -4.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7208 -7.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 -4.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 2.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 3.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4170 4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 4.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2830 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 6.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -1.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1490 7.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 -2.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 7.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 8.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -5.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -5.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -7.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -4.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -7.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3273 -7.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -4.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 -4.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3389 3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9404 2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6290 2.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0276 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 1.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 4.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8064 4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4729 1.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 4.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8936 4.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8970 -0.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2955 0.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6068 0.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 6.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 5.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 -8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -1.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4295 -1.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3611 5.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 6.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 -3.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7408 -1.2103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3423 -1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9370 7.7897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5384 7.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2271 7.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6256 7.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6351 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0151 9.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3951 8.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 8 2 1 1 0 0 0 2 51 1 0 0 0 0 9 3 1 6 0 0 0 3 56 1 0 0 0 0 10 4 1 6 0 0 0 4 61 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 26 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 6 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 10 12 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 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 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 21 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 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 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 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 22 58 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 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 25 65 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 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 M END $$$$ E0US2M -OEChem-05082103102D 6 4 0 0 0 0 0 0 0999 V2000 2.0000 -1.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0UT5F -OEChem-05082103072D 40 40 0 1 0 0 0 0 0999 V2000 5.1350 -0.5000 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 2.5369 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 3 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 0.5000 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 5.1350 0.5000 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 7.7331 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 4.2690 -1.0000 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 3.4030 -2.5000 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 3.4030 -3.5000 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 -4.0000 0.0000 C 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 5.7890 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.0251 0.0000 H 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 4.9230 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 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 -4.6200 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 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 40 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 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 10 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 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 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 11 35 1 0 0 0 0 12 13 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 15 17 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 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ E0V3GR -OEChem-05082103152D 21 19 0 1 0 0 0 0 0999 V2000 2.7690 2.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.7690 -1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -0.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -1.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 7 13 2 0 0 0 0 8 14 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 2 1 1 5 -1 M END $$$$ E0V3RU -OEChem-05082103062D 26 25 0 1 0 0 0 0 0999 V2000 6.8671 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 9 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0V4HH -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 5.1350 -0.2685 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2685 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2315 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0V5AX -OEChem-05082103072D 22 21 0 1 0 0 0 0 0999 V2000 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 7 2 1 1 0 0 0 2 19 1 0 0 0 0 8 3 1 1 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0V6KE -OEChem-05082103052D 14 13 0 0 0 0 0 0 0999 V2000 3.4030 -0.1270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0V6QI -OEChem-05082103072D 19 19 0 0 0 0 0 0 0999 V2000 3.7320 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0V9NU -OEChem-05082103122D 81 84 0 1 0 0 0 0 0999 V2000 2.5357 -3.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.1735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.1735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.1313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2868 -1.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0628 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -1.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 -0.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.7291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 -4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -4.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1642 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7425 3.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0962 4.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 0.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -2.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.1735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 -3.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -4.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -4.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -4.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.6715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -3.8236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8674 1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 2.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3492 3.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6147 4.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5577 4.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6821 4.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6347 3.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 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 10 1 0 0 0 0 2 18 1 1 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 6 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 6 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 1 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 6 0 0 0 8 12 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 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 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 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 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 6 0 0 0 17 48 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 52 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 55 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 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 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 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 2 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 M END $$$$ E0VB2Y -OEChem-05082103102D 48 47 0 1 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 13.2583 -1.2500 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 3 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 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 14.1244 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7444 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0600 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 2 17 1 0 0 0 0 2 48 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 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 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 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 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 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 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 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 M END $$$$ E0VD9B -OEChem-05082103122D 126132 0 1 0 0 0 0 0999 V2000 8.5991 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.0000 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 10.3312 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5000 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 8.4991 -1.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5099 1.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0034 1.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0751 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2051 -0.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9157 0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8352 1.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -5.0000 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 14.6613 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5000 0.0000 O 0 0 0 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 5.1350 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -2.0000 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 11.1972 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 -1.0000 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 11.1972 2.5000 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 9.4651 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1972 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 2.0000 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 6.8671 -4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 4.0000 0.0000 C 0 0 1 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 6.8671 -5.0000 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 12.0632 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 5.0000 0.0000 C 0 0 0 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 7.7331 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 -2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7993 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3302 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9152 2.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2649 -2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7993 -1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3989 1.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9333 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0916 -2.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1193 -1.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8695 1.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0676 1.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 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 13.4662 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 4.3100 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 7.4776 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8091 -2.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2486 -0.9218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6146 0.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 0.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 1.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5802 -1.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -0.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 -0.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9822 1.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2996 0.8193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1255 1.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.3100 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 15.1982 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 43 1 0 0 0 0 2 32 1 0 0 0 0 2 44 1 0 0 0 0 3 33 1 0 0 0 0 3 45 1 0 0 0 0 4 34 1 0 0 0 0 4 46 1 0 0 0 0 5 35 1 0 0 0 0 5 47 1 0 0 0 0 6 36 1 0 0 0 0 6 48 1 0 0 0 0 7 43 1 0 0 0 0 7 56 1 0 0 0 0 8 44 1 0 0 0 0 8 55 1 0 0 0 0 9 45 1 0 0 0 0 9 57 1 0 0 0 0 10 46 1 0 0 0 0 10 60 1 0 0 0 0 11 47 1 0 0 0 0 11 59 1 0 0 0 0 12 48 1 0 0 0 0 12 58 1 0 0 0 0 37 13 1 1 0 0 0 13109 1 0 0 0 0 38 14 1 1 0 0 0 14110 1 0 0 0 0 39 15 1 1 0 0 0 15111 1 0 0 0 0 40 16 1 1 0 0 0 16112 1 0 0 0 0 41 17 1 1 0 0 0 17113 1 0 0 0 0 42 18 1 1 0 0 0 18114 1 0 0 0 0 49 19 1 6 0 0 0 19115 1 0 0 0 0 54 20 1 6 0 0 0 20116 1 0 0 0 0 50 21 1 6 0 0 0 21117 1 0 0 0 0 52 22 1 6 0 0 0 22118 1 0 0 0 0 53 23 1 6 0 0 0 23119 1 0 0 0 0 51 24 1 6 0 0 0 24120 1 0 0 0 0 25 61 1 0 0 0 0 25121 1 0 0 0 0 26 63 1 0 0 0 0 26122 1 0 0 0 0 27 62 1 0 0 0 0 27123 1 0 0 0 0 28 64 1 0 0 0 0 28124 1 0 0 0 0 29 66 1 0 0 0 0 29125 1 0 0 0 0 30 65 1 0 0 0 0 30126 1 0 0 0 0 31 37 1 0 0 0 0 31 55 1 0 0 0 0 31 67 1 1 0 0 0 32 39 1 0 0 0 0 32 60 1 0 0 0 0 32 68 1 1 0 0 0 33 38 1 0 0 0 0 33 56 1 0 0 0 0 33 69 1 1 0 0 0 34 41 1 0 0 0 0 34 58 1 0 0 0 0 34 70 1 1 0 0 0 35 40 1 0 0 0 0 35 57 1 0 0 0 0 35 71 1 1 0 0 0 36 42 1 0 0 0 0 36 59 1 0 0 0 0 36 72 1 1 0 0 0 37 54 1 0 0 0 0 37 73 1 0 0 0 0 38 49 1 0 0 0 0 38 74 1 0 0 0 0 39 52 1 0 0 0 0 39 75 1 0 0 0 0 40 50 1 0 0 0 0 40 76 1 0 0 0 0 41 51 1 0 0 0 0 41 77 1 0 0 0 0 42 53 1 0 0 0 0 42 78 1 0 0 0 0 43 49 1 0 0 0 0 43 79 1 1 0 0 0 44 54 1 0 0 0 0 44 80 1 1 0 0 0 45 50 1 0 0 0 0 45 81 1 1 0 0 0 46 52 1 0 0 0 0 46 82 1 1 0 0 0 47 53 1 0 0 0 0 47 83 1 1 0 0 0 48 51 1 0 0 0 0 48 84 1 1 0 0 0 49 85 1 0 0 0 0 50 86 1 0 0 0 0 51 87 1 0 0 0 0 52 89 1 0 0 0 0 53 88 1 0 0 0 0 54 90 1 0 0 0 0 55 61 1 1 0 0 0 55 91 1 0 0 0 0 56 63 1 1 0 0 0 56 94 1 0 0 0 0 57 64 1 1 0 0 0 57 92 1 0 0 0 0 58 66 1 1 0 0 0 58 93 1 0 0 0 0 59 65 1 1 0 0 0 59 95 1 0 0 0 0 60 62 1 1 0 0 0 60 96 1 0 0 0 0 61 97 1 0 0 0 0 61 98 1 0 0 0 0 62 99 1 0 0 0 0 62100 1 0 0 0 0 63107 1 0 0 0 0 63108 1 0 0 0 0 64101 1 0 0 0 0 64102 1 0 0 0 0 65103 1 0 0 0 0 65104 1 0 0 0 0 66105 1 0 0 0 0 66106 1 0 0 0 0 M END $$$$ E0VM7C -OEChem-05082103092D 16 16 0 0 0 0 0 0 0999 V2000 4.5691 0.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 0.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 1.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -1.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0VN9W -OEChem-05082103132D 8 6 0 0 0 0 0 0 0999 V2000 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0VQ2W -OEChem-05082103162D 41 41 0 0 0 0 0 0 0999 V2000 2.0000 -3.4050 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5950 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.9641 -2.2710 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 -2.2710 0.0000 O 0 5 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 4.9641 -0.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4050 0.0000 N 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 5.4641 2.5950 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 -1.9050 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 -1.4050 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 3.7320 1.5950 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 6.3580 1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.1297 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 2.8660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.6158 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 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 3.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 2.9279 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 3.7320 -5.0250 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 2.3291 4.4050 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 7 2 0 0 0 0 2 8 2 0 0 0 0 2 16 1 0 0 0 0 5 20 1 0 0 0 0 9 30 1 0 0 0 0 9 41 1 0 0 0 0 10 30 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 2 0 0 0 0 14 17 1 0 0 0 0 14 24 2 0 0 0 0 15 20 2 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 21 29 1 0 0 0 0 22 27 1 0 0 0 0 22 33 1 0 0 0 0 23 32 1 0 0 0 0 24 28 1 0 0 0 0 24 34 1 0 0 0 0 25 26 2 0 0 0 0 25 35 1 0 0 0 0 27 28 2 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 29 38 1 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 M CHG 4 3 1 4 1 5 -1 6 -1 M END $$$$ E0VR2M -OEChem-05082103052D 50 49 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 10.3312 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 11.1972 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 12.0632 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 12.9292 0.7500 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 13.7953 0.2500 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 14.6613 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 15.5273 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 16.3933 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 9.9326 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -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 11.5957 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 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 11.6647 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -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 13.3278 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 1.2250 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 13.3967 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -0.2249 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 15.0598 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 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 15.1288 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -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 16.7033 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0833 1.2869 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 18 1 0 0 0 0 1 50 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 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 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 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 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 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 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 18 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 17 49 1 0 0 0 0 M END $$$$ E0VT1H -OEChem-05082103142D 75 74 0 1 0 0 0 0 0999 V2000 6.8671 -0.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 1.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8175 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1910 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9880 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -1.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 -0.8544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 -0.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1455 0.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -2.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 28 1 0 0 0 0 2 26 1 0 0 0 0 2 73 1 0 0 0 0 3 28 2 0 0 0 0 4 30 1 0 0 0 0 4 74 1 0 0 0 0 5 30 2 0 0 0 0 6 31 1 0 0 0 0 6 75 1 0 0 0 0 7 31 2 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 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 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 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 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 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 21 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 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 25 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 29 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 M END $$$$ E0VT4B -OEChem-05082103062D 8 7 0 0 0 0 0 0 0999 V2000 2.0000 -0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ E0VW7D -OEChem-05082103092D 23 20 0 1 0 0 0 0 0999 V2000 6.0010 -0.2500 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0VW7Y -OEChem-05082103162D 17 14 0 0 0 0 0 0 0999 V2000 2.5981 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.0000 0.0000 Al 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 M END $$$$ E0VX5C -OEChem-05082103052D 81 82 0 1 0 0 0 0 0999 V2000 6.0290 -2.7889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -2.2751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9350 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4384 -1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9417 -0.5546 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4383 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 -0.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4317 -3.1430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4450 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9483 1.1659 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4450 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9483 1.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4517 2.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4517 2.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4516 2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9550 2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9550 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 3.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -2.8891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5168 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5484 -0.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 -1.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3217 -0.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3283 -2.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0201 -1.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 -0.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 -0.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 -1.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5235 -0.7728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8936 -3.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 -3.6812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 0.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3350 -0.3084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 0.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2604 1.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 0.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1371 0.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9069 0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8383 0.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5301 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5617 2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9898 2.3417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1437 2.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9135 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3416 1.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0334 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2629 2.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 0.2457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9526 2.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5750 2.8801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 3.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9965 4.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 4.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 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 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 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 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 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 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 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 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 29 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 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 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 28 71 1 0 0 0 0 29 72 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 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 M END $$$$ E0VY6L -OEChem-05082103132D 200199 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 38.3731 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9711 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.5692 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 46.1673 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 48.7654 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.3634 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.9615 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.5596 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 59.1577 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.7558 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 64.3538 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 66.9519 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 69.5500 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 72.1481 -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 36.6410 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5070 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2391 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1051 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8372 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7032 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4352 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3013 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0333 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8993 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6314 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4974 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.2295 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.0955 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.8275 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.6936 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.4256 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.2917 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.0237 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.8897 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.6218 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 63.4878 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 65.2199 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 66.0859 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 67.8179 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 68.6840 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 70.4160 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 71.2820 0.2500 0.0000 C 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 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 7.6636 -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 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 9.3267 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 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 9.3957 -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 4.1306 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 11.0588 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 2.4675 -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 11.1278 -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 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 12.8598 -0.7249 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 14.5229 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 16.2549 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 16.3239 -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 18.0560 -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 19.7190 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 21.4511 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 21.5201 -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 23.2521 -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 24.9152 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 26.6472 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 26.7162 -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 28.4483 -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 30.1113 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 31.8434 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 31.9124 -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 33.6444 -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 35.3075 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 37.0395 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.2425 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1085 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9056 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.8406 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.6376 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.5036 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.7066 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.2357 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.4386 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3047 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1017 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0367 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8338 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.6998 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9027 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.4319 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.6348 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.5008 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.2979 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.2329 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.0299 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.8960 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.0989 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.6280 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.8309 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.6970 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.4940 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 54.4290 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.2261 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 56.0921 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 55.2950 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.8242 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.0271 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 57.8931 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 58.6902 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 59.6252 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.4222 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 61.2883 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 60.4912 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.0203 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 62.2232 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.0893 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 63.8863 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 64.8213 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.6184 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 66.4844 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 65.6873 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2165 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 67.4194 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 68.2854 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 69.0825 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.0175 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.8145 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 71.6806 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 70.8835 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 72.6850 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 7 48 1 0 0 0 0 7 49 1 0 0 0 0 8 50 1 0 0 0 0 8 51 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 60 1 0 0 0 0 13 61 1 0 0 0 0 14 62 1 0 0 0 0 14 63 1 0 0 0 0 15 64 1 0 0 0 0 15 65 1 0 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 68 1 0 0 0 0 17 69 1 0 0 0 0 18 70 1 0 0 0 0 18 71 1 0 0 0 0 19 72 1 0 0 0 0 19 73 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 21 77 1 0 0 0 0 22 78 1 0 0 0 0 22 79 1 0 0 0 0 23 80 1 0 0 0 0 23 81 1 0 0 0 0 24 82 1 0 0 0 0 24200 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 28 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 27 29 1 0 0 0 0 27 87 1 0 0 0 0 27 88 1 0 0 0 0 28 30 1 0 0 0 0 28 89 1 0 0 0 0 28 90 1 0 0 0 0 29 31 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 32 1 0 0 0 0 30 93 1 0 0 0 0 30 94 1 0 0 0 0 31 33 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 34 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 33 35 1 0 0 0 0 33 99 1 0 0 0 0 33100 1 0 0 0 0 34 36 1 0 0 0 0 34101 1 0 0 0 0 34102 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36105 1 0 0 0 0 36106 1 0 0 0 0 36107 1 0 0 0 0 37 38 1 0 0 0 0 37108 1 0 0 0 0 37109 1 0 0 0 0 38110 1 0 0 0 0 38111 1 0 0 0 0 39 40 1 0 0 0 0 39112 1 0 0 0 0 39113 1 0 0 0 0 40114 1 0 0 0 0 40115 1 0 0 0 0 41 42 1 0 0 0 0 41116 1 0 0 0 0 41117 1 0 0 0 0 42118 1 0 0 0 0 42119 1 0 0 0 0 43 44 1 0 0 0 0 43120 1 0 0 0 0 43121 1 0 0 0 0 44122 1 0 0 0 0 44123 1 0 0 0 0 45 46 1 0 0 0 0 45124 1 0 0 0 0 45125 1 0 0 0 0 46126 1 0 0 0 0 46127 1 0 0 0 0 47 48 1 0 0 0 0 47128 1 0 0 0 0 47129 1 0 0 0 0 48130 1 0 0 0 0 48131 1 0 0 0 0 49 50 1 0 0 0 0 49132 1 0 0 0 0 49133 1 0 0 0 0 50134 1 0 0 0 0 50135 1 0 0 0 0 51 52 1 0 0 0 0 51136 1 0 0 0 0 51137 1 0 0 0 0 52138 1 0 0 0 0 52139 1 0 0 0 0 53 54 1 0 0 0 0 53140 1 0 0 0 0 53141 1 0 0 0 0 54142 1 0 0 0 0 54143 1 0 0 0 0 55 56 1 0 0 0 0 55144 1 0 0 0 0 55145 1 0 0 0 0 56146 1 0 0 0 0 56147 1 0 0 0 0 57 58 1 0 0 0 0 57148 1 0 0 0 0 57149 1 0 0 0 0 58150 1 0 0 0 0 58151 1 0 0 0 0 59 60 1 0 0 0 0 59152 1 0 0 0 0 59153 1 0 0 0 0 60154 1 0 0 0 0 60155 1 0 0 0 0 61 62 1 0 0 0 0 61156 1 0 0 0 0 61157 1 0 0 0 0 62158 1 0 0 0 0 62159 1 0 0 0 0 63 64 1 0 0 0 0 63160 1 0 0 0 0 63161 1 0 0 0 0 64162 1 0 0 0 0 64163 1 0 0 0 0 65 66 1 0 0 0 0 65164 1 0 0 0 0 65165 1 0 0 0 0 66166 1 0 0 0 0 66167 1 0 0 0 0 67 68 1 0 0 0 0 67168 1 0 0 0 0 67169 1 0 0 0 0 68170 1 0 0 0 0 68171 1 0 0 0 0 69 70 1 0 0 0 0 69172 1 0 0 0 0 69173 1 0 0 0 0 70174 1 0 0 0 0 70175 1 0 0 0 0 71 72 1 0 0 0 0 71176 1 0 0 0 0 71177 1 0 0 0 0 72178 1 0 0 0 0 72179 1 0 0 0 0 73 74 1 0 0 0 0 73180 1 0 0 0 0 73181 1 0 0 0 0 74182 1 0 0 0 0 74183 1 0 0 0 0 75 76 1 0 0 0 0 75184 1 0 0 0 0 75185 1 0 0 0 0 76186 1 0 0 0 0 76187 1 0 0 0 0 77 78 1 0 0 0 0 77188 1 0 0 0 0 77189 1 0 0 0 0 78190 1 0 0 0 0 78191 1 0 0 0 0 79 80 1 0 0 0 0 79192 1 0 0 0 0 79193 1 0 0 0 0 80194 1 0 0 0 0 80195 1 0 0 0 0 81 82 1 0 0 0 0 81196 1 0 0 0 0 81197 1 0 0 0 0 82198 1 0 0 0 0 82199 1 0 0 0 0 M END $$$$ E0W0XS -OEChem-05082103072D 13 13 0 1 0 0 0 0 0999 V2000 3.7601 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -0.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.1816 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2601 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -0.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 1.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 0.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 0.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -1.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END $$$$ E0W0YX -OEChem-05082103162D 9 7 0 1 0 0 0 0 0999 V2000 4.2690 0.2500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0W1BX -OEChem-05082103102D 6 3 0 0 0 0 0 0 0999 V2000 3.7320 0.2500 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 M CHG 4 2 1 3 1 4 -1 5 -1 M END $$$$ E0W2JM -OEChem-05082103102D 7 4 0 0 0 0 0 0 0999 V2000 5.4641 0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0000 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 M CHG 4 1 1 2 1 4 -1 5 -1 M END $$$$ E0W4GY -OEChem-05082103122D 59 58 0 1 0 0 0 0 0999 V2000 11.5263 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 12.3923 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 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 15.8564 -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 4.5981 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 16.7224 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 3.7320 -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 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -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 10.6603 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3923 -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 8.0622 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 2.0000 -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 15.3889 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 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 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 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 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 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 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 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 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 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 17.1899 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -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 11.1972 -0.5600 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 18.7645 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1445 0.7869 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 10.0403 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2803 -1.2500 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 19 1 0 0 0 0 2 20 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 10 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 28 1 0 0 0 0 7 29 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 13 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 14 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 38 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 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 22 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 23 1 0 0 0 0 17 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 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 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 M END $$$$ E0W4KH -OEChem-05082103092D 2 1 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 M END $$$$ E0W5DF -OEChem-05082103142D 57 57 0 1 0 0 0 0 0999 V2000 5.4641 -0.5000 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 4.5981 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 5.4641 1.5000 0.0000 N 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 6.3301 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 5.4641 2.5000 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 7.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 1 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 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 1 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 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 4.5981 -2.0000 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 2.0000 -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 -5.0000 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 6.5422 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 3.3800 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 6.0010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9174 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 3.1951 -0.1900 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 1.4631 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8100 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 2.8660 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.5369 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 6.6401 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 19 1 0 0 0 0 3 53 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 14 6 1 6 0 0 0 6 42 1 0 0 0 0 7 16 1 0 0 0 0 17 7 1 6 0 0 0 7 46 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 8 13 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 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 38 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 16 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 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 26 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 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 $$$$ E0W6SA -OEChem-05082103042D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ E0W7AC -OEChem-05082103062D 2 0 0 0 0 0 0 0 0999 V2000 3.0000 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0WA2U -OEChem-05082103062D 5 4 0 0 0 0 0 0 0999 V2000 3.7320 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.8660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0WJ8R -OEChem-05082103132D 50 49 0 1 0 0 0 0 0999 V2000 5.4165 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4165 1.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5505 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5505 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1486 4.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0146 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6844 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 5.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2825 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5505 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6855 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2825 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 3.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 2.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8931 5.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0927 5.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4912 6.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4165 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8700 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 15 2 1 1 0 0 0 18 2 1 6 0 0 0 13 3 1 6 0 0 0 3 36 1 0 0 0 0 14 4 1 1 0 0 0 4 37 1 0 0 0 0 16 5 1 1 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 43 1 0 0 0 0 20 7 1 6 0 0 0 7 44 1 0 0 0 0 8 21 1 0 0 0 0 8 45 1 0 0 0 0 22 9 1 1 0 0 0 9 46 1 0 0 0 0 10 23 1 0 0 0 0 10 47 1 0 0 0 0 11 24 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 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 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 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 22 24 1 0 0 0 0 22 35 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 M END $$$$ E0WR3V -OEChem-05082103092D 16 13 0 1 0 0 0 0 0999 V2000 2.0000 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 M CHG 4 1 1 2 1 5 -1 6 -1 M END $$$$ E0WT2I -OEChem-05082103162D 179184 0 1 0 0 0 0 0999 V2000 4.5709 4.0648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 -7.1444 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.4986 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.8582 4.3230 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.0565 0.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 -2.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6837 -1.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 4.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0792 -1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8254 -2.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 2.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1660 6.6224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8041 2.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0122 5.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4984 -0.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 5.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3504 5.1696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9117 3.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 0.8815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4839 -0.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7121 0.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 3.1371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7305 6.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8038 2.0059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4638 8.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 4.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9343 0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 7.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 7.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -3.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6581 1.6331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 3.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4945 -0.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 3.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0366 5.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 4.6883 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1944 4.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 3.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 -8.1332 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0911 -6.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 -7.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4034 -1.7262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5530 -0.7334 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7680 -0.1073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0565 1.1311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8334 -0.4742 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4687 -2.0930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1003 -1.6577 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8110 4.7444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1869 1.6331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3684 1.2547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1425 -2.1046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4174 -0.9217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0756 6.3525 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4748 4.7801 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9260 1.6331 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4385 -1.1451 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1869 2.6371 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0565 3.1392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8043 -2.6172 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6614 5.7372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3672 1.1797 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.4971 -0.5545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7585 7.0885 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9092 3.9505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9315 0.2751 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3810 5.9964 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4464 6.3632 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7457 4.3776 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.9340 0.4252 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3461 2.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0334 5.9056 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7374 6.8651 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3449 3.0459 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3715 5.3930 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4761 4.7051 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3197 -3.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 1.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4845 -3.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8947 3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9312 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6914 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0394 5.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3956 1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8739 2.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2398 -4.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3524 3.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -4.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3527 3.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1598 -5.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -6.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 -1.4997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0377 -1.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 0.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 0.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -0.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -2.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5220 -2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9033 4.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 1.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9867 1.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 -1.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 -0.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6395 5.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8176 5.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 1.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8340 -1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 3.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5934 3.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6216 -3.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 5.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7489 1.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8477 -1.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1541 7.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 4.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6625 -0.2835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9582 5.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8692 6.5898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2833 -0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9656 2.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 5.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5547 7.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7266 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5543 4.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0943 4.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 -3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 -3.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3935 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 0.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0362 -3.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8589 -2.8560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 3.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 2.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4964 0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7782 1.1007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 5.1542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1396 4.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1924 6.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4743 5.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2574 0.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 1.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1197 0.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 0.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 2.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9109 2.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9308 1.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 6.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2916 1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 8.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5628 3.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8880 0.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 7.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0220 7.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1633 2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3586 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3387 3.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1950 1.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 -5.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8596 -4.4206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6115 -4.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3103 3.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1128 -0.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5906 3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3858 5.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9296 3.6928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 4.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -4.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 -4.8168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 3.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2827 -6.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 -5.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -5.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -6.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 1 41 2 0 0 0 0 1 42 2 0 0 0 0 1 93 1 0 0 0 0 2 43 1 0 0 0 0 2 44 2 0 0 0 0 2 45 2 0 0 0 0 2 95 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 46 1 0 0 0 0 6 56 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 53 1 0 0 0 0 8 63 1 0 0 0 0 9 52 1 0 0 0 0 9 67 1 0 0 0 0 10 56 1 0 0 0 0 10 64 1 0 0 0 0 11 60 1 0 0 0 0 11 63 1 0 0 0 0 12 58 1 0 0 0 0 12 71 1 0 0 0 0 13 55 1 0 0 0 0 13 75 1 0 0 0 0 14 59 1 0 0 0 0 14 76 1 0 0 0 0 15 67 1 0 0 0 0 15 74 1 0 0 0 0 16 71 1 0 0 0 0 16 73 1 0 0 0 0 17 76 1 0 0 0 0 17 79 1 0 0 0 0 18 75 1 0 0 0 0 18 80 1 0 0 0 0 19 48 1 0 0 0 0 19 88 1 0 0 0 0 20 47 1 0 0 0 0 20145 1 0 0 0 0 21 54 1 0 0 0 0 21146 1 0 0 0 0 22 57 1 0 0 0 0 22147 1 0 0 0 0 23 61 1 0 0 0 0 23148 1 0 0 0 0 24 62 1 0 0 0 0 24149 1 0 0 0 0 25 65 1 0 0 0 0 25152 1 0 0 0 0 26 66 1 0 0 0 0 26153 1 0 0 0 0 27 68 1 0 0 0 0 27154 1 0 0 0 0 28 69 1 0 0 0 0 28155 1 0 0 0 0 29 70 1 0 0 0 0 29156 1 0 0 0 0 30 72 1 0 0 0 0 30157 1 0 0 0 0 31 77 1 0 0 0 0 31158 1 0 0 0 0 32 78 1 0 0 0 0 32159 1 0 0 0 0 33 81 1 0 0 0 0 33 90 1 0 0 0 0 34 82 1 0 0 0 0 34162 1 0 0 0 0 35 83 1 0 0 0 0 35165 1 0 0 0 0 36 84 1 0 0 0 0 36166 1 0 0 0 0 37 85 1 0 0 0 0 37167 1 0 0 0 0 38 86 1 0 0 0 0 38168 1 0 0 0 0 39 87 1 0 0 0 0 39169 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 46 96 1 0 0 0 0 47 48 1 0 0 0 0 47 97 1 0 0 0 0 48 50 1 0 0 0 0 48 98 1 0 0 0 0 49 54 1 0 0 0 0 49 60 1 0 0 0 0 49 99 1 0 0 0 0 50100 1 0 0 0 0 51 81 1 0 0 0 0 51101 1 0 0 0 0 52 57 1 0 0 0 0 52 64 1 0 0 0 0 52102 1 0 0 0 0 53 65 1 0 0 0 0 53 73 1 0 0 0 0 53103 1 0 0 0 0 54 62 1 0 0 0 0 54104 1 0 0 0 0 55 66 1 0 0 0 0 55 74 1 0 0 0 0 55105 1 0 0 0 0 56 61 1 0 0 0 0 56106 1 0 0 0 0 57 61 1 0 0 0 0 57107 1 0 0 0 0 58 68 1 0 0 0 0 58 79 1 0 0 0 0 58108 1 0 0 0 0 59 69 1 0 0 0 0 59 80 1 0 0 0 0 59109 1 0 0 0 0 60 82 1 0 0 0 0 60110 1 0 0 0 0 61111 1 0 0 0 0 62 63 1 0 0 0 0 62112 1 0 0 0 0 63113 1 0 0 0 0 64 83 1 0 0 0 0 64114 1 0 0 0 0 65 72 1 0 0 0 0 65115 1 0 0 0 0 66 70 1 0 0 0 0 66116 1 0 0 0 0 67 70 1 0 0 0 0 67117 1 0 0 0 0 68 77 1 0 0 0 0 68118 1 0 0 0 0 69 78 1 0 0 0 0 69119 1 0 0 0 0 70120 1 0 0 0 0 71 72 1 0 0 0 0 71121 1 0 0 0 0 72122 1 0 0 0 0 73 84 1 0 0 0 0 73123 1 0 0 0 0 74 85 1 0 0 0 0 74124 1 0 0 0 0 75 78 1 0 0 0 0 75125 1 0 0 0 0 76 77 1 0 0 0 0 76126 1 0 0 0 0 77127 1 0 0 0 0 78128 1 0 0 0 0 79 86 1 0 0 0 0 79129 1 0 0 0 0 80 87 1 0 0 0 0 80130 1 0 0 0 0 81131 1 0 0 0 0 81132 1 0 0 0 0 82133 1 0 0 0 0 82134 1 0 0 0 0 83135 1 0 0 0 0 83136 1 0 0 0 0 84137 1 0 0 0 0 84138 1 0 0 0 0 85139 1 0 0 0 0 85140 1 0 0 0 0 86141 1 0 0 0 0 86142 1 0 0 0 0 87143 1 0 0 0 0 87144 1 0 0 0 0 88 89 1 0 0 0 0 88150 1 0 0 0 0 88151 1 0 0 0 0 89 91 1 0 0 0 0 89160 1 0 0 0 0 89161 1 0 0 0 0 90 92 1 0 0 0 0 90163 1 0 0 0 0 90164 1 0 0 0 0 91 93 1 0 0 0 0 91170 1 0 0 0 0 91171 1 0 0 0 0 92 94 1 0 0 0 0 92172 1 0 0 0 0 92173 1 0 0 0 0 93174 1 0 0 0 0 93175 1 0 0 0 0 94 95 1 0 0 0 0 94176 1 0 0 0 0 94177 1 0 0 0 0 95178 1 0 0 0 0 95179 1 0 0 0 0 M CHG 4 3 1 4 1 40 -1 43 -1 M END $$$$ E0WW1J -OEChem-05082103062D 36 31 0 0 0 0 0 0 0999 V2000 3.7320 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 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 5.4641 -2.5000 0.0000 O 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 5.4641 -0.5000 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 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 7.1962 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 6.3301 -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 8.0622 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 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.1077 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 5.8626 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 2.9750 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 6.9407 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 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 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 24 2 0 0 0 0 13 15 1 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 19 1 0 0 0 0 14 20 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 17 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 18 32 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 24 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M CHG 8 1 1 2 1 3 1 4 1 5 -1 6 -1 7 -1 8 -1 M END $$$$ E0WX2E -OEChem-05082103152D 16 14 0 0 0 0 0 0 0999 V2000 2.0000 -0.0600 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.8660 0.4400 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0X0ME -OEChem-05082103162D 55 56 0 0 0 0 0 0 0999 V2000 6.3301 2.2363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.2604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 3.7637 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 3.7363 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.8106 -0.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7363 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8301 3.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 2.7638 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0890 3.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0956 1.3963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7637 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.2121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.7879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7637 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8222 2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 -1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4487 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3128 -2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1846 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 2.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3439 -1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9106 -2.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3229 -0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3104 -3.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -0.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7165 -2.6100 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 23 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 27 1 0 0 0 0 5 24 1 0 0 0 0 5 46 1 0 0 0 0 12 19 1 0 0 0 0 13 19 2 0 0 0 0 14 22 1 0 0 0 0 14 44 1 0 0 0 0 14 45 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 30 1 0 0 0 0 18 31 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 34 1 0 0 0 0 32 47 1 0 0 0 0 33 35 2 0 0 0 0 33 48 1 0 0 0 0 34 36 2 0 0 0 0 34 49 1 0 0 0 0 35 36 1 0 0 0 0 35 50 1 0 0 0 0 37 39 1 0 0 0 0 37 51 1 0 0 0 0 38 40 2 0 0 0 0 38 52 1 0 0 0 0 39 41 2 0 0 0 0 39 53 1 0 0 0 0 40 41 1 0 0 0 0 40 54 1 0 0 0 0 41 55 1 0 0 0 0 M CHG 6 3 1 4 1 6 -1 9 -1 12 -1 19 1 M END $$$$ E0X1KL -OEChem-05082103152D 37 36 0 0 0 0 0 0 0999 V2000 6.6210 3.6200 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 2.2690 4.1200 0.0000 N 0 3 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 3.6200 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 1.7690 4.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 3.2540 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 4.0010 6.1200 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 0.5369 2.1200 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 0.5369 1.1200 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 1.4030 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 4.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 4.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 3.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 6.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 5.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 5.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 2.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 5.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 6.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 7.1200 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 2.8059 2.4300 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 2.8059 0.8100 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 3 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 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 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 9 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 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 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 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 13 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 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 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0X1YN -OEChem-05082103122D 103103 0 0 0 0 0 0 0999 V2000 5.4641 -5.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.3100 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 9.7942 1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 5.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 10.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 12.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 14.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -11.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -12.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -12.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -13.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -14.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -15.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8100 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 8.0622 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3100 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 9.7942 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 8.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 9.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 11.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 11.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 13.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 14.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -10.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -11.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -12.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -12.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -11.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -10.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -12.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -12.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -9.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -9.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -14.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -13.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -9.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -9.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -13.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -14.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -15.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -15.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -5.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -3.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -3.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -1.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -0.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 3.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 4.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 5.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 5.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1803 7.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 6.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4704 6.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8689 7.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3364 8.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7349 8.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 10.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 9.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 11.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 11.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 11.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 11.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 12.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 13.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 14.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 14.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 15.3100 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 27 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 33 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 10103 1 0 0 0 0 11 12 1 0 0 0 0 11 13 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 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 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 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 19 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 20 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 23 1 0 0 0 0 21 63 1 0 0 0 0 22 24 2 0 0 0 0 22 64 1 0 0 0 0 23 25 2 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 66 1 0 0 0 0 26 27 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 29 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 30 31 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 32 33 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 35 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 37 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 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 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 40 41 1 0 0 0 0 40 95 1 0 0 0 0 40 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 99 1 0 0 0 0 42100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 M END $$$$ E0X2JN -OEChem-05082103092D 34 36 0 0 0 0 0 0 0999 V2000 2.5369 1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 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 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 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 9 11 1 0 0 0 0 10 13 1 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 25 1 0 0 0 0 13 26 1 0 0 0 0 14 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 16 19 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 29 1 0 0 0 0 18 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 M END $$$$ E0X3GH -OEChem-05082103092D 5 3 0 0 0 0 0 0 0999 V2000 3.7071 -0.8536 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 2.7071 -0.8536 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7071 0.1464 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 3 1 2 2 -1 3 -1 M END $$$$ E0X3TQ -OEChem-05082103082D 36 32 0 1 0 0 0 0 0999 V2000 6.8671 -3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 3.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 Na 0 3 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 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 O 0 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 5.1350 -0.5000 0.0000 N 0 0 3 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 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 4.2690 -1.0000 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 6.8671 2.5000 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 3.4030 -0.5000 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 7.7331 2.0000 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 4.9230 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.3923 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 6.6116 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.4750 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 7.2656 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.9750 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 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 20 2 0 0 0 0 6 21 1 0 0 0 0 7 21 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 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 6 1 1 2 1 3 1 6 -1 8 -1 9 -1 M END $$$$ E0X5RB -OEChem-05082103082D 22 22 0 0 0 0 0 0 0999 V2000 3.0000 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0X6QO -OEChem-05082103162D 25 24 0 0 0 0 0 0 0999 V2000 2.0000 -3.7500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 14 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0X7PA -OEChem-05082103082D 37 38 0 0 0 0 0 0 0999 V2000 7.2785 -3.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.2070 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.1482 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1482 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 3.2070 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9282 -1.6999 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5301 -2.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -2.1965 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 2.4410 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0365 0.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 1.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 2.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 26 1 0 0 0 0 9 27 2 0 0 0 0 10 31 1 0 0 0 0 11 31 2 0 0 0 0 12 13 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 18 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 23 2 0 0 0 0 16 21 2 0 0 0 0 17 22 2 0 0 0 0 18 24 1 0 0 0 0 18 32 1 0 0 0 0 19 25 2 0 0 0 0 19 33 1 0 0 0 0 20 28 2 0 0 0 0 20 31 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 28 30 1 0 0 0 0 28 35 1 0 0 0 0 29 30 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 M CHG 4 5 1 6 1 8 -1 10 -1 M END $$$$ E0X8DD -OEChem-05082103122D 16 15 0 1 0 0 0 0 0999 V2000 4.2690 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 13 1 0 0 0 0 8 2 1 6 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0X8EZ -OEChem-05082103112D 9 6 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Zn 0 2 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 M CHG 3 1 2 3 -1 4 -1 M END $$$$ E0X8PO -OEChem-05082103152D 24 23 0 0 0 0 0 0 0999 V2000 3.7320 1.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0X9CX -OEChem-04012201012D 146144 0 1 0 0 0 0 0999 V2000 10.6603 -7.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -5.2680 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.1244 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1603 -6.1340 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1603 -7.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -7.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -7.0000 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 18.4545 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -7.0000 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 19.3205 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 5.0000 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 18.4545 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 5.5000 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 17.5885 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 7.0000 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 28.8468 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 8.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -6.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3171 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5201 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3861 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1831 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3764 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9779 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6665 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0651 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0492 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2521 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2424 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8439 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1119 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5326 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9311 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7812 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9842 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3330 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1085 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7099 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3986 4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7971 5.6077 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 15.2458 -1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1899 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9870 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9745 7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5760 6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0685 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4670 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5822 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3793 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2646 6.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 7.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3798 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8405 8.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4420 7.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2024 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6010 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.4028 -7.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.2497 -7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0228 -6.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 7.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 9.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -6.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -7.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.5369 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 1 9 1 0 0 0 0 1 10 2 0 0 0 0 3 49 1 0 0 0 0 51 3 1 1 0 0 0 4 50 1 0 0 0 0 4 52 1 0 0 0 0 5 49 2 0 0 0 0 6 50 2 0 0 0 0 7 53 1 0 0 0 0 8 54 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 56 2 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 14139 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 20 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 64 1 0 0 0 0 17 65 1 0 0 0 0 18 22 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 23 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 24 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 21 25 1 0 0 0 0 21 72 1 0 0 0 0 21 73 1 0 0 0 0 22 26 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 23 27 1 0 0 0 0 23 76 1 0 0 0 0 23 77 1 0 0 0 0 24 28 1 0 0 0 0 24 78 1 0 0 0 0 24 79 1 0 0 0 0 25 30 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 29 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 27 31 1 0 0 0 0 27 84 1 0 0 0 0 27 85 1 0 0 0 0 28 32 1 0 0 0 0 28 86 1 0 0 0 0 28 87 1 0 0 0 0 29 33 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 30 34 1 0 0 0 0 30 88 1 0 0 0 0 30 89 1 0 0 0 0 31 35 1 0 0 0 0 31 92 1 0 0 0 0 31 93 1 0 0 0 0 32 36 1 0 0 0 0 32 94 1 0 0 0 0 32 95 1 0 0 0 0 33 37 1 0 0 0 0 33 96 1 0 0 0 0 33 97 1 0 0 0 0 34 38 1 0 0 0 0 34 98 1 0 0 0 0 34 99 1 0 0 0 0 35 39 1 0 0 0 0 35100 1 0 0 0 0 35101 1 0 0 0 0 36 40 1 0 0 0 0 36102 1 0 0 0 0 36103 1 0 0 0 0 37 41 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38 42 1 0 0 0 0 38106 1 0 0 0 0 38107 1 0 0 0 0 39 44 1 0 0 0 0 39108 1 0 0 0 0 39109 1 0 0 0 0 40 43 1 0 0 0 0 40110 1 0 0 0 0 40111 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 46 1 0 0 0 0 42114 1 0 0 0 0 42115 1 0 0 0 0 43 47 1 0 0 0 0 43118 1 0 0 0 0 43119 1 0 0 0 0 44 49 1 0 0 0 0 44116 1 0 0 0 0 44117 1 0 0 0 0 45 48 1 0 0 0 0 45120 1 0 0 0 0 45121 1 0 0 0 0 46 50 1 0 0 0 0 46122 1 0 0 0 0 46123 1 0 0 0 0 47124 1 0 0 0 0 47125 1 0 0 0 0 47126 1 0 0 0 0 48127 1 0 0 0 0 48128 1 0 0 0 0 48129 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51130 1 0 0 0 0 52131 1 0 0 0 0 52132 1 0 0 0 0 53133 1 0 0 0 0 53134 1 0 0 0 0 54 55 1 0 0 0 0 54135 1 0 0 0 0 54136 1 0 0 0 0 55137 1 0 0 0 0 55138 1 0 0 0 0 57 58 1 0 0 0 0 57140 1 0 0 0 0 57141 1 0 0 0 0 58142 1 0 0 0 0 58143 1 0 0 0 0 59144 1 0 0 0 0 59145 1 0 0 0 0 59146 1 0 0 0 0 M CHG 2 2 1 9 -1 M END $$$$ E0X9SR -OEChem-05082103132D 6 4 0 0 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 5 2 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0XB9Z -OEChem-05082103042D 7 6 0 0 0 0 0 0 0999 V2000 3.7320 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0XG3Z -OEChem-05082103062D 24 23 0 1 0 0 0 0 0999 V2000 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -1.7027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 8 3 1 6 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0XH6X -OEChem-05082103162D 52 29 0 0 0 0 0 0 0999 V2000 6.4347 0.0000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 9.5086 2.5000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 0.2869 1.2500 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 3.3608 2.5000 0.0000 Si 0 0 0 0 0 15 0 0 0 0 0 0 12.5824 2.5000 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 0.2869 3.7500 0.0000 Al 0 0 0 0 0 15 0 0 0 0 0 0 3.3608 5.0000 0.0000 Mg 0 0 0 0 0 15 0 0 0 0 0 0 6.4347 2.5000 0.0000 Mg 0 0 0 0 0 15 0 0 0 0 0 0 0.5369 6.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7586 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 11.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8324 10.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 12.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0739 6.5600 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 4.1477 7.8100 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 13.3694 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3694 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2216 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 11.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3694 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2955 10.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1847 12.5000 0.0000 H 0 0 0 0 0 0 0 0 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 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 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 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 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 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 M CHG 1 23 -1 M END $$$$ E0XP0L -OEChem-05082103112D 42 42 0 0 0 0 0 0 0999 V2000 5.4641 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0950 0.0000 O 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 4.5981 -1.9050 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 -0.9050 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 5.4641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4050 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 6.3301 2.0950 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 5.4641 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 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 3.5200 -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 3.9441 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.7973 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 1.6900 -4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.7850 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 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 40 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 20 1 0 0 0 0 5 42 1 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 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 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 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 13 37 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 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ E0XR9O -OEChem-05082103072D 27 27 0 0 0 0 0 0 0999 V2000 3.7320 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0XV1Z -OEChem-05082103072D 57 56 0 0 0 0 0 0 0999 V2000 17.5885 0.2500 0.0000 O 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 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 8.0622 -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 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 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 13.2583 -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 14.1244 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 14.9904 -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 15.8564 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 16.7224 -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 9.3957 -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 9.3267 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 11.0588 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 7.6636 -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 11.1278 -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 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 12.7908 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 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 12.8598 -0.7249 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 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 14.5229 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 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 14.5919 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3889 -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 3.3335 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 15.4579 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 3.2646 -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 17.1210 -0.7249 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 18.1254 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 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 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 7 31 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 12 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 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 16 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 19 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 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 M END $$$$ E0XX6I -OEChem-05082103072D 15 14 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0Y1ZX -OEChem-05082103122D 36 23 0 0 0 0 0 0 0999 V2000 12.6857 6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2216 6.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.8197 6.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0876 6.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9537 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 11.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6847 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9537 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 11.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 8.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2216 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4906 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 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 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 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 M CHG 4 1 1 2 1 3 -1 4 -1 M END $$$$ E0Y4VO -OEChem-05082103052D 42 42 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 8.9282 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 7.1962 0.2500 0.0000 O 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 9.7942 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 9.7942 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 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 8.0622 -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 10.6603 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 8.0622 -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 8.9282 -1.7500 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 8.9282 -2.7500 0.0000 C 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 10.0063 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.8577 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 9.5822 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 2.6423 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 4.1996 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.1423 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 10.9703 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 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 9 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 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 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 12 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 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 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 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ E0Y7PW -OEChem-05082103132D 15 14 0 0 0 0 0 0 0999 V2000 3.7320 2.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M CHG 2 1 1 2 -1 M END $$$$ E0Y7QF -OEChem-05082103072D 22 21 0 1 0 0 0 0 0999 V2000 2.5369 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9030 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 1.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -0.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E0YA3D -OEChem-05082103052D 14 13 0 0 0 0 0 0 0999 V2000 2.5369 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END $$$$ E0YN1W -OEChem-05082103152D 5 3 0 0 0 0 0 0 0999 V2000 2.8660 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 M CHG 2 2 1 3 -1 M END $$$$ E0YU9J -OEChem-05082103142D 1 0 0 0 0 0 0 0 0999 V2000 2.0000 0.0000 0.0000 S 0 0 0 0 0 15 0 0 0 0 0 0 M END $$$$ E0Z0TY -OEChem-05082103062D 45 46 0 1 0 0 0 0 0999 V2000 6.8671 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 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 8.5991 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5000 0.0000 O 0 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 6.8671 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.0000 0.0000 C 0 0 2 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 6.8671 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.5000 0.0000 C 0 0 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 7.4040 0.1900 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 6.0010 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 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 4.5981 -2.8100 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 8.2700 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -0.0251 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 6.8671 -3.1200 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 3.4030 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8100 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 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 14 1 1 6 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 13 4 1 1 0 0 0 4 38 1 0 0 0 0 16 5 1 6 0 0 0 5 39 1 0 0 0 0 17 6 1 1 0 0 0 6 40 1 0 0 0 0 18 7 1 6 0 0 0 7 41 1 0 0 0 0 19 8 1 6 0 0 0 8 42 1 0 0 0 0 21 9 1 1 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 15 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 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 1 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 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 1 0 0 0 20 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 $$$$ E0Z2FF -OEChem-05082103122D 13 9 0 0 0 0 0 0 0999 V2000 3.0739 0.0000 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 4.0739 1.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 1.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0739 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6919 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M CHG 3 1 2 4 -1 5 -1 M END $$$$ E0Z5QF -OEChem-05082103072D 57 56 0 0 0 0 0 0 0999 V2000 7.6962 -2.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.5981 0.0000 O 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 6.3301 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.7321 0.0000 C 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 6.3301 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2788 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 -0.1215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 -3.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -2.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 1.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 2.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -2.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -1.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8862 4.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 32 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 16 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 11 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 10 1 0 0 0 0 8 11 1 0 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 1 0 0 0 0 10 28 1 0 0 0 0 10 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 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 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 1 0 0 0 0 17 37 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 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 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 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 23 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 M END $$$$ E0Z6QA -OEChem-05082103042D 14 14 0 0 0 0 0 0 0999 V2000 3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0Z6YC -OEChem-05272104372D 16 13 0 0 0 0 0 0 0999 V2000 4.4768 0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9768 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9768 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.7545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.8890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8798 1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0138 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 5.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0Z8BA -OEChem-05082103162D 24 22 0 0 0 0 0 0 0999 V2000 3.7320 0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0670 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$ E0ZB1O -OEChem-05082103152D 27 26 0 1 0 0 0 0 0999 V2000 5.1350 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ E0ZC1W -OEChem-05082103062D 17 16 0 1 0 0 0 0 0999 V2000 6.8671 -0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 6 4 1 1 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0ZF9T -OEChem-05082103102D 13 8 0 0 0 0 0 0 0999 V2000 3.7320 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4330 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4330 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 1.2990 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5981 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2320 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9641 0.4330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2320 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 13 2 0 0 0 0 M CHG 8 3 1 4 1 5 1 6 1 8 -1 9 -1 10 -1 11 -1 M END $$$$ E0ZI3K -OEChem-05082103142D 82 78 0 0 0 0 0 0 0999 V2000 7.2151 5.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 2.5000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.2151 0.0000 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 0.5369 10.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 13.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 8.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 12.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 9.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 14.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.7953 11.6350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4651 11.1350 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 10.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 11.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 9.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 12.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2953 10.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2953 12.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 12.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 11.6350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 9.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 13.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 11.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 10.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 12.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 11.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 10.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 11.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 9.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 10.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0598 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2628 12.6100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 10.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 11.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8203 12.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 10.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 12.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 10.0150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 12.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 11.1100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 11.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 12.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 9.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6601 8.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 11.1601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 10.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3203 9.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 12.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2702 13.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 11.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 10.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4282 9.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 9.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 10.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 12.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6551 12.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4282 11.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 13.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 11.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9853 8.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6053 14.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 25 1 0 0 0 0 4 77 1 0 0 0 0 5 26 1 0 0 0 0 5 78 1 0 0 0 0 6 27 1 0 0 0 0 6 79 1 0 0 0 0 7 28 1 0 0 0 0 7 80 1 0 0 0 0 8 29 1 0 0 0 0 8 81 1 0 0 0 0 9 30 1 0 0 0 0 9 82 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 10 17 1 0 0 0 0 11 14 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 21 1 0 0 0 0 12 22 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 23 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 24 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 25 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 27 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 28 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 29 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 30 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 31 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 32 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 31 2 0 0 0 0 23 55 1 0 0 0 0 24 32 2 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 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 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 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 33 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 M CHG 6 1 -1 2 -1 3 -1 10 1 11 1 12 1 M END $$$$ E0ZJ1T -OEChem-05082103112D 61 60 0 0 0 0 0 0 0999 V2000 10.8681 7.3285 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 7.4651 12.5369 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0010 6.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 8.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 8.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 9.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 10.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 11.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 11.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 13.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 14.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 14.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 7.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 6.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 6.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 7.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 5.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 8.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2565 7.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9451 7.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 8.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 4.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 10.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 9.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 4.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 3.4293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 9.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 10.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3871 11.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 10.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6772 10.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0757 11.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 12.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 12.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 14.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8681 14.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 15.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 19 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 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 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 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 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 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 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 15 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 17 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 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 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 20 22 2 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0ZJ4T -OEChem-05082103082D 50 50 0 0 0 0 0 0 0999 V2000 4.7102 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 0.8540 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -0.6460 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 -0.6460 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 1.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7102 -0.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 0.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -1.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3364 -0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 -0.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 -0.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8868 0.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 1.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 1.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 0.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7698 2.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 0.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 1.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 1.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5721 1.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5262 2.0578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6506 2.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1248 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -1.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0756 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -1.7887 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 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 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 7 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 10 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 10 1 0 0 0 0 5 19 1 0 0 0 0 5 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 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 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 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 20 50 1 0 0 0 0 M END $$$$ E0ZK2L -OEChem-05082103142D 181186 0 1 0 0 0 0 0999 V2000 9.5407 4.6907 0.0000 Co 0 1 0 0 0 0 0 0 0 0 0 0 5.7014 -4.1235 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.7119 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6916 0.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 8.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 -0.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 8.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7087 10.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6618 2.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 -3.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 -4.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2892 -4.9325 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1136 -3.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6605 -7.2885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -5.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 -6.9101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 5.0651 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 9.0066 3.7324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 6.3979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3182 3.4039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5434 5.0651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2782 -0.3211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1104 -0.9589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1015 7.6894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9648 5.9221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2897 10.4698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 11.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 4.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3241 -7.9271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 -8.7294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0529 4.3499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9636 4.6106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7869 3.1474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9636 5.5848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4937 2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5194 2.2057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0203 5.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9538 4.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5491 3.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1368 3.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2261 3.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6763 6.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 1.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6239 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6059 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7287 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 3.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4250 7.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3280 3.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 7.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4611 7.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8149 0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6854 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 4.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4868 7.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4636 7.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0494 4.5780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0494 5.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6137 2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1935 7.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4462 8.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9912 5.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4075 8.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1377 7.9558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8941 8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 6.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 3.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7528 5.3064 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 5.0497 5.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7614 6.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2952 9.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3046 9.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 4.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 -1.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7025 10.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5354 3.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 -2.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4924 -2.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9969 -5.7058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8629 -6.2058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2537 -6.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6550 -7.1840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2756 -6.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 -8.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3126 -7.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9835 -9.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 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14.5434 8.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2573 7.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4867 -2.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 -1.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8219 10.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 10.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 -2.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7362 11.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7199 11.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1197 3.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 4.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -1.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.8823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 -2.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 -5.4836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 -6.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8636 -6.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -7.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -5.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 -5.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -6.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6217 -7.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 -9.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 -10.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -10.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 -11.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 -11.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 -11.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 -12.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -11.8982 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 2 12 1 0 0 0 0 2 13 2 0 0 0 0 3 49 2 0 0 0 0 4 53 2 0 0 0 0 5 64 2 0 0 0 0 6 66 2 0 0 0 0 7 73 2 0 0 0 0 8 76 2 0 0 0 0 9 77 2 0 0 0 0 78 10 1 6 0 0 0 80 11 1 1 0 0 0 14 82 1 0 0 0 0 14 83 1 0 0 0 0 81 15 1 1 0 0 0 15171 1 0 0 0 0 16 84 1 0 0 0 0 16173 1 0 0 0 0 17 31 1 0 0 0 0 17 37 1 0 0 0 0 18 33 1 0 0 0 0 18 41 2 0 0 0 0 19 50 2 0 0 0 0 19 60 1 0 0 0 0 20 49 1 0 0 0 0 20131 1 0 0 0 0 20132 1 0 0 0 0 21 54 1 0 0 0 0 21 62 2 0 0 0 0 22 53 1 0 0 0 0 22138 1 0 0 0 0 22139 1 0 0 0 0 23 66 1 0 0 0 0 23 75 1 0 0 0 0 23150 1 0 0 0 0 24 64 1 0 0 0 0 24151 1 0 0 0 0 24152 1 0 0 0 0 25 69 3 0 0 0 0 26 73 1 0 0 0 0 26155 1 0 0 0 0 26156 1 0 0 0 0 27 76 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 0 83 29 1 1 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 86 2 0 0 0 0 30 87 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 39 1 1 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 40 1 1 0 0 0 33 35 1 0 0 0 0 33 94 1 6 0 0 0 34 37 1 0 0 0 0 34 42 1 1 0 0 0 34 95 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 6 0 0 0 35 96 1 0 0 0 0 36 41 1 0 0 0 0 36 44 1 0 0 0 0 36 45 1 6 0 0 0 37 46 2 0 0 0 0 38 49 1 0 0 0 0 38 97 1 0 0 0 0 38 98 1 0 0 0 0 39 99 1 0 0 0 0 39100 1 0 0 0 0 39101 1 0 0 0 0 40102 1 0 0 0 0 40103 1 0 0 0 0 40104 1 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 42105 1 0 0 0 0 42106 1 0 0 0 0 43 53 1 0 0 0 0 43107 1 0 0 0 0 43108 1 0 0 0 0 44 52 1 0 0 0 0 44109 1 0 0 0 0 44110 1 0 0 0 0 45111 1 0 0 0 0 45112 1 0 0 0 0 45113 1 0 0 0 0 46 50 1 0 0 0 0 46 56 1 0 0 0 0 47 54 2 0 0 0 0 47 59 1 0 0 0 0 48 64 1 0 0 0 0 48114 1 0 0 0 0 48115 1 0 0 0 0 50 51 1 0 0 0 0 51 55 1 0 0 0 0 51 61 1 0 0 0 0 51 63 1 1 0 0 0 52 66 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 54 57 1 0 0 0 0 55 60 1 0 0 0 0 55 65 1 1 0 0 0 55118 1 0 0 0 0 56119 1 0 0 0 0 56120 1 0 0 0 0 56121 1 0 0 0 0 57 58 1 0 0 0 0 57 68 1 1 0 0 0 57122 1 0 0 0 0 58 62 1 0 0 0 0 58 70 1 0 0 0 0 58 71 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60 67 2 0 0 0 0 61 73 1 0 0 0 0 61126 1 0 0 0 0 61127 1 0 0 0 0 62 67 1 0 0 0 0 63128 1 0 0 0 0 63129 1 0 0 0 0 63130 1 0 0 0 0 65 72 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 67135 1 0 0 0 0 68 74 1 0 0 0 0 68136 1 0 0 0 0 68137 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 72 76 1 0 0 0 0 72146 1 0 0 0 0 72147 1 0 0 0 0 74 77 1 0 0 0 0 74148 1 0 0 0 0 74149 1 0 0 0 0 75 78 1 0 0 0 0 75153 1 0 0 0 0 75154 1 0 0 0 0 78 79 1 0 0 0 0 78157 1 0 0 0 0 79162 1 0 0 0 0 79163 1 0 0 0 0 79164 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 80165 1 0 0 0 0 81 83 1 0 0 0 0 81166 1 0 0 0 0 82 84 1 6 0 0 0 82167 1 0 0 0 0 83168 1 0 0 0 0 84169 1 0 0 0 0 84170 1 0 0 0 0 85 87 2 0 0 0 0 85 88 1 0 0 0 0 86172 1 0 0 0 0 87 89 1 0 0 0 0 88 90 2 0 0 0 0 88174 1 0 0 0 0 89 91 2 0 0 0 0 89175 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 91 93 1 0 0 0 0 92176 1 0 0 0 0 92177 1 0 0 0 0 92178 1 0 0 0 0 93179 1 0 0 0 0 93180 1 0 0 0 0 93181 1 0 0 0 0 M CHG 4 1 3 12 -1 17 -1 69 -1 M END $$$$ E0ZV3M -OEChem-05082103162D 22 21 0 0 0 0 0 0 0999 V2000 2.0000 -3.2500 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 2 0 0 0 0 7 15 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0ZW5O -OEChem-05082103052D 15 14 0 0 0 0 0 0 0999 V2000 7.1962 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E00ARE -OEChem-05082103092D 54 54 0 0 0 0 0 0 0999 V2000 7.1962 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0950 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 9.7942 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.