B4RTA5 -OEChem-04022103433D 32 33 0 0 0 0 0 0 0999 V2000 -7.3444 -2.0713 -0.0672 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -2.5483 -0.1281 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 3.4011 0.1724 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7062 2.1248 0.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -1.4611 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3447 -0.1089 -0.0251 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 -1.8868 -0.0898 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 0.6777 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 2.1712 0.0912 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 1.1055 0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0307 0.4160 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3209 0.8055 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -1.0511 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 0.0388 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 -1.4678 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 1.4244 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 -1.2170 0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 0.6657 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 -1.8459 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4999 0.0368 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6578 -1.2189 -0.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5047 2.0096 0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 0.2440 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -2.8872 -0.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 2.4804 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4874 -1.7158 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 1.6118 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1404 0.0335 0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 -2.8242 1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3339 0.5325 -1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2881 3.0988 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 2.1323 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 22 2 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 14 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 31 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 M END $$$$