RDKit 3D 31 33 0 0 0 0 0 0 0 0999 V2000 0.0775 0.3783 -2.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.0149 -0.5751 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2002 -1.4419 -0.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -2.0274 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1949 -3.2204 -0.5302 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 -1.1297 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -1.6056 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 -0.7400 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1426 0.5884 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 1.0567 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 0.1983 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 0.7205 0.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7647 0.3650 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7897 0.7984 -0.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 1.1147 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 0.9969 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 0.5634 1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 0.2486 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 1.4247 1.5668 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 0.1510 -2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 1.4567 -2.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 -0.1575 -2.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 -2.0493 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 -2.6458 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4648 -1.1036 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 1.2599 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.0905 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 0.9019 -2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8337 1.4508 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 0.4651 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.0939 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 2 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 12 2 1 0 11 6 1 0 18 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 14 28 1 0 15 29 1 0 17 30 1 0 18 31 1 0 M END