ZINC01903720 3D Structure written by MMmdl. 34 34 0 0 1 0 999 V2000 -4.1458 0.0371 -0.4701 C 0 0 0 0 0 0 -2.7464 0.5353 -0.1038 C 0 0 0 0 0 0 -2.8627 1.7410 0.8309 C 0 0 0 0 0 0 -2.0020 0.9461 -1.3759 C 0 0 0 0 0 0 -2.0056 -0.5384 0.5719 N 0 0 2 0 0 0 -0.8390 -0.1654 0.7868 C 0 0 0 0 0 0 0.2283 -0.9743 0.4166 C 0 0 0 0 0 0 0.0969 -2.3836 0.4354 C 0 0 0 0 0 0 1.1521 -3.1650 0.0636 C 0 0 0 0 0 0 2.3530 -2.5847 -0.3203 C 0 0 0 0 0 0 2.4986 -1.2049 -0.3382 C 0 0 0 0 0 0 1.4591 -0.3974 0.0228 C 0 0 0 0 0 0 1.6489 1.3542 -0.0009 S 0 0 0 0 0 0 1.1318 1.7970 -1.2482 O 0 0 0 0 0 0 1.1700 1.8267 1.2508 O 0 0 0 0 0 0 -1.9882 -1.7287 -0.2785 O 0 0 0 0 0 0 3.1426 1.6453 -0.0271 O 0 0 0 0 0 0 -4.7048 -0.1780 0.4405 H 0 0 0 0 0 0 -4.6662 0.8044 -1.0432 H 0 0 0 0 0 0 -4.0634 -0.8702 -1.0687 H 0 0 0 0 0 0 -1.8657 2.0960 1.0918 H 0 0 0 0 0 0 -3.4123 2.5377 0.3295 H 0 0 0 0 0 0 -3.3930 1.4484 1.7371 H 0 0 0 0 0 0 -1.9890 0.1101 -2.0752 H 0 0 0 0 0 0 -2.5079 1.7957 -1.8345 H 0 0 0 0 0 0 -0.9789 1.2251 -1.1241 H 0 0 0 0 0 0 -2.4555 -0.7575 1.4481 H 0 0 0 0 0 0 -0.6553 0.7873 1.2611 H 0 0 0 0 0 0 -0.8348 -2.8380 0.7382 H 0 0 0 0 0 0 1.0537 -4.2404 0.0725 H 0 0 0 0 0 0 3.1827 -3.2135 -0.6078 H 0 0 0 0 0 0 3.4393 -0.7678 -0.6389 H 0 0 0 0 0 0 -1.6499 -1.5701 -1.1703 H 0 0 0 0 0 0 3.3595 2.5875 -0.0416 H 0 0 0 0 0 0 1 2 1 0 0 0 1 18 1 0 0 0 1 19 1 0 0 0 1 20 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 3 21 1 0 0 0 3 22 1 0 0 0 3 23 1 0 0 0 4 24 1 0 0 0 4 25 1 0 0 0 4 26 1 0 0 0 5 6 2 0 0 0 5 16 1 0 0 0 5 27 1 0 0 0 6 7 1 0 0 0 6 28 1 0 0 0 7 12 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 8 29 1 0 0 0 9 10 1 0 0 0 9 30 1 0 0 0 10 11 2 0 0 0 10 31 1 0 0 0 11 12 1 0 0 0 11 32 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 15 2 0 0 0 13 17 1 0 0 0 16 33 1 0 0 0 17 34 1 0 0 0 M END > ZINC01903720 > 1 > CORINA 3.44 0027 09.01.2008 > 0.96 > 5_S_16_2_6_27 $$$$