BS31QE -OEChem-04022112383D 44 45 0 1 0 0 0 0 0999 V2000 -0.4892 2.1554 -1.7094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 2.4591 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -2.7722 -0.3406 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4382 -0.2696 0.6914 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5288 0.2282 -0.2911 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9517 -0.0465 0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7405 -0.4618 0.0756 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0664 0.4107 -0.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8285 -0.4688 1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4627 0.0729 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2136 -0.2017 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 1.7185 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -1.7815 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 -1.1406 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1719 0.9736 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 -1.2636 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6912 1.1063 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3349 -1.4532 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4624 0.6611 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -1.0174 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 1.3526 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0441 -0.5523 0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 0.2907 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.2659 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1023 0.4451 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0675 -1.1241 0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.3303 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -1.1397 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0069 1.4954 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 -0.0332 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6127 0.3004 1.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 -1.4218 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -1.8290 -1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5008 -1.8513 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7286 1.9211 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 -2.2875 0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0756 1.9422 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7875 -2.3982 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0145 1.3622 1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9169 -1.8441 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3415 2.3711 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 3.1167 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0489 -0.7958 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 0.4825 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 42 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 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 13 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$