B2XVS3 -OEChem-04012112243D 30 32 0 0 0 0 0 0 0999 V2000 -4.6489 3.1465 0.0987 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4298 -2.2990 -0.0752 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8944 2.4080 0.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6628 -1.2314 0.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.7423 -0.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 -1.5102 -0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 0.1373 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.0484 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 0.1920 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 -1.1154 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 -1.1573 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 0.0174 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 1.3635 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.2625 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -0.8111 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 0.5830 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5628 -1.5305 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 -0.0893 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6143 1.2578 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7834 -0.8559 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8093 0.5383 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4789 -2.1392 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 2.3345 0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -2.5171 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 1.1740 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 -2.6169 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7138 -1.4160 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7689 1.0485 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 3.1738 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.2954 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 18 1 0 0 0 0 4 30 1 0 0 0 0 5 18 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 20 2 0 0 0 0 17 26 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 M END $$$$