RDKit 3D 52 56 0 0 0 0 0 0 0 0999 V2000 -5.5584 -2.5536 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7168 -1.1277 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1419 -1.0969 -2.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 -0.3039 -0.3649 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.1682 0.0436 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 1.1983 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 0.9988 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 0.0691 -0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 0.0294 -1.6822 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.2731 -0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 1.7020 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2389 2.7538 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9555 3.2121 1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 2.5684 0.1206 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2826 1.8137 -0.9783 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 1.7650 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 1.6404 2.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 0.7188 2.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 0.3270 1.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7251 0.9643 0.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5519 -0.5772 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5845 -1.1354 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5214 -2.0019 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4380 -2.3259 -0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4179 -1.7794 -1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 -0.9117 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 -2.2181 -3.3689 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 3.2899 1.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 -0.8317 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2428 -2.5756 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8376 -3.1274 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5161 -3.0818 -0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4919 -0.6176 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1317 -1.5509 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4525 -1.6552 -2.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2037 -0.0697 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 0.5982 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1145 0.3340 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7864 -0.8653 1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6508 2.1408 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 1.2776 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 3.3878 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 1.2827 -1.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 2.1589 3.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8043 0.3840 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 -0.8970 2.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 -2.4206 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1702 -2.9988 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 -0.4961 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6257 3.9944 2.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4056 -0.8715 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9998 -1.8352 -0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 12 28 1 0 8 29 1 0 29 4 1 0 11 7 1 0 15 10 1 0 20 16 1 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 14 42 1 6 15 43 1 0 17 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 26 49 1 0 28 50 1 0 29 51 1 0 29 52 1 0 M CHG 1 4 1 M END