BW8AD9 -OEChem-04022106132D 78 83 0 1 0 0 0 0 0999 V2000 4.7565 3.7788 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -5.5710 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 4.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 3.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.4678 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0468 0.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.1096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.0322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.0322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.5322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 -4.6199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4128 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9128 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.4624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5000 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 4.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 4.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 5.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 5.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1939 4.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 6.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7291 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -4.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5212 7.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6397 -4.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2643 8.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 -5.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 -6.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 -7.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -6.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7175 -8.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 -7.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 -7.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0733 0.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8878 -1.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4954 -0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0205 0.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 1.2402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 1.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.3033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 1.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 2.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 3.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 -2.8422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5796 3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 5.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -2.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 4.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9060 6.7016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0577 5.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 6.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 7.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9463 7.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -4.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 7.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7251 8.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8495 8.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -7.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7832 -5.7091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4654 -8.6690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7354 -7.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0765 -8.4996 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 24 1 0 0 0 0 2 34 1 0 0 0 0 2 36 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 57 1 0 0 0 0 7 20 1 0 0 0 0 7 58 1 0 0 0 0 8 21 1 0 0 0 0 8 22 2 0 0 0 0 9 21 2 0 0 0 0 9 23 1 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 27 1 0 0 0 0 11 59 1 0 0 0 0 12 32 1 0 0 0 0 12 36 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 6 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 19 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 20 55 1 0 0 0 0 20 56 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 30 2 0 0 0 0 26 61 1 0 0 0 0 27 32 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 42 2 0 0 0 0 40 76 1 0 0 0 0 41 42 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 M END $$$$