RDKit 3D 28 30 0 0 0 0 0 0 0 0999 V2000 5.5453 1.7182 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 0.7226 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -0.3494 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5849 -1.2131 -1.2003 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 -0.1156 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 0.8463 0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 -0.2046 -0.2517 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -1.1415 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7932 -2.0818 -1.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9614 -0.9092 -0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -1.6010 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2038 -0.9322 -0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5981 -1.1156 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3814 -0.2059 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 0.8603 1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 1.0557 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6664 0.1383 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 0.1565 0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2612 -0.4298 0.4460 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 1.7009 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 2.7244 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5902 1.5111 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 -0.6587 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 0.5209 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -2.4843 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0501 -1.9417 -0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4371 1.5536 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9578 1.8756 1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 14 19 1 0 6 2 1 0 18 10 1 0 17 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 7 24 1 0 11 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 M END