BEM5R2 -OEChem-04022115413D 40 43 0 0 0 0 0 0 0999 V2000 6.1849 1.7848 -0.2793 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 2.4935 0.3672 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -0.8550 2.9884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 1.4477 0.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5345 -0.5448 0.6819 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 -0.0369 0.2297 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -1.2416 0.1127 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3709 -1.8006 -0.7938 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4534 -2.5354 -0.1969 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 -0.3754 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 -0.1137 -0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3741 -0.2314 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3912 0.0817 2.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.5159 1.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -0.9147 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 0.1622 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 -0.0624 -1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2594 0.3196 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 0.3399 -2.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 0.2271 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 0.8211 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5302 0.5620 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 1.7520 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 -0.8126 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 2.8754 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -2.8266 -0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5525 -1.4500 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 0.1557 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2821 1.1733 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7754 -0.2069 3.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -1.4918 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8016 -1.5636 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6795 0.2341 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7941 -0.1255 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7278 0.5583 -3.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2829 0.3637 -3.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2861 -1.0230 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 3.9049 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -0.7338 0.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 -3.8176 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 14 2 0 0 0 0 4 18 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 39 1 0 0 0 0 8 24 2 0 0 0 0 8 26 1 0 0 0 0 9 26 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 17 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 25 38 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$