RDKit 3D 28 30 0 0 0 0 0 0 0 0999 V2000 5.8467 -0.3416 1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 0.2067 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9565 1.0579 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 1.4155 -1.2806 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6751 0.4285 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -0.1484 0.7487 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 0.2204 -0.0731 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 0.7447 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 1.4993 -1.8483 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 0.3166 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5259 -0.5078 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 -0.5369 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 -1.1630 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 -0.9317 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5229 -0.1044 -0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4505 0.5246 -1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 0.2780 -0.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 0.7916 -1.3492 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7895 -1.7623 1.1917 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8379 0.0128 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -0.0364 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 -1.4351 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8722 1.4753 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 -0.3942 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 -1.0342 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 -1.8073 1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5306 0.0608 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5902 1.1706 -2.2522 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