BS1RQ2 -OEChem-04022117323D 38 41 0 0 0 0 0 0 0999 V2000 5.9064 1.2247 -0.2412 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 4.0489 0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -1.1158 0.2221 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1601 2.3532 0.4327 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 -0.0512 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.0053 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 0.5634 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 -0.7701 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 2.3311 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 -0.0814 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -2.3839 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6487 1.0545 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0544 1.1674 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 -1.5327 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 2.9575 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 -1.3029 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2031 0.4183 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1053 -0.9118 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 0.9149 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 -3.4581 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9064 -1.4115 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6721 -0.3037 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 -4.7161 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 3.0123 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 2.2490 -1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6756 -2.6630 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9893 -2.2523 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1313 2.2056 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8027 -2.5720 0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 2.9495 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 -2.1717 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0002 -1.4918 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6720 1.7702 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2138 -3.2157 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3879 -2.3562 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 -0.3823 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -5.4548 -0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7827 -5.0262 0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 20 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 19 2 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$