RDKit 3D 55 57 0 0 0 0 0 0 0 0999 V2000 -3.7869 -5.2226 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8383 -3.8031 -1.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -3.2392 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1165 -3.1671 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1572 -2.4046 1.3439 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0342 -3.1334 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -3.4760 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -2.2815 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 -2.0884 -0.9095 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 -1.5163 0.8911 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 -0.3872 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 0.2240 -0.7856 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 1.3202 -0.9914 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 1.4902 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 0.3154 1.2377 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 2.5528 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 3.4534 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5386 4.4678 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 4.6000 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4412 3.7282 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4754 2.7115 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7748 5.9596 -0.2036 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -1.0058 1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 -0.4277 2.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -0.2435 0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3871 1.1497 1.0655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.9506 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 3.2762 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 4.2006 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 3.8094 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9748 2.4946 -1.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 1.5653 -0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6153 -5.5717 -2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 -5.6609 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8462 -5.5487 -2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8414 -3.8087 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -2.2330 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2088 -4.1862 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -2.7221 0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -2.5430 2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4335 -4.0522 2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.2592 0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -3.8908 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 -1.7917 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8528 3.3694 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5515 5.1421 -2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1652 3.8249 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4912 2.0498 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3669 -0.4551 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 -0.6417 1.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9813 3.5947 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8809 5.2286 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 4.5281 -2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 2.1893 -1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1896 0.5648 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 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 20 21 2 0 19 22 1 0 5 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 15 11 1 0 21 16 1 0 32 27 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 10 44 1 0 17 45 1 0 18 46 1 0 20 47 1 0 21 48 1 0 25 49 1 0 25 50 1 0 28 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 32 55 1 0 M END