BVW4I9 -OEChem-04022102013D 32 32 0 1 0 0 0 0 0999 V2000 -4.7482 -0.5641 -1.8785 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.8174 0.5694 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 0.7020 -1.2001 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 0.9630 0.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2752 2.2131 1.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3348 2.7913 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 -1.8592 -0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -4.2045 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 0.4444 0.2598 N 0 0 1 0 0 0 0 0 0 0 0 0 0.4353 -3.0508 1.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2272 0.1440 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -0.7337 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4739 1.1295 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 0.5570 -2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7091 0.2701 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 0.8577 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5849 -1.9198 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6253 0.2911 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 0.1515 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9758 -0.9151 -0.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2585 -0.5632 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 -0.9545 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 1.6205 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5081 -0.0246 -2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 0.4132 -2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 1.3101 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -0.3517 -1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9021 -0.0319 0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 1.0534 2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5279 0.0035 1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -3.1590 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -4.1656 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 10 17 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 M END $$$$