RDKit 3D 36 38 0 0 0 0 0 0 0 0999 V2000 4.2922 1.3776 -1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 0.8792 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -0.3592 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -1.1032 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1987 -0.6051 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 0.6400 -1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9409 -1.2933 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -1.3521 -1.2629 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -2.0562 -0.5315 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -2.3509 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 -1.8903 0.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -3.2233 1.9063 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0235 -3.0052 1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -1.5891 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -1.2755 2.9157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 -0.7561 0.6725 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 0.5969 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3745 1.3306 1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 2.6719 1.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 3.2864 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1011 2.5631 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.2277 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 0.4883 -1.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -2.8118 0.3826 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.2192 2.3399 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 1.4498 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 -0.7421 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 1.0491 -1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 -3.2623 0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6295 -3.6921 2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 -1.1045 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 0.8903 2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 3.2356 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8804 4.3286 0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 3.0496 -1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 1.0676 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 4 24 1 0 6 1 1 0 11 7 1 0 22 17 1 0 1 25 1 0 2 26 1 0 3 27 1 0 6 28 1 0 13 29 1 0 13 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 23 36 1 0 M END