D00681 -OEChem-05072121562D 48 52 0 1 0 0 0 0 0999 V2000 10.7889 -0.3868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 -1.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8210 0.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7870 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 1.1671 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3580 -0.7814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6168 0.1845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9853 -1.3735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6433 -0.4338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6297 -1.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 -0.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -0.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 2.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 1.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0799 -0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -0.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 -1.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 0.2086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3687 -1.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2199 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6275 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1858 1.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -1.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 1.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 -1.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -2.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6563 0.1092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 -1.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 2.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 2.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 2.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 2.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 1.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2254 -2.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0324 -2.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0561 0.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7589 -2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9977 2.4033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2063 -0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6677 1.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 25 1 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 10 3 1 1 0 0 0 11 3 1 1 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 1 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 6 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 7 1 M END $$$$