B4BEN9 -OEChem-04042106353D 42 45 0 0 0 0 0 0 0999 V2000 5.3027 -0.4628 -1.3038 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 1.3082 -0.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -2.5741 1.1193 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6579 -0.7111 -1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 1.9189 0.3156 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -1.0996 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -1.5863 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 0.0576 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.3214 -0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 1.1912 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7304 -1.8010 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9897 -2.3137 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 1.6711 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 0.1294 -0.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1585 -0.5908 -1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 -2.5313 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0277 -2.7853 1.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0863 -1.5359 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 2.4626 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0857 1.3380 1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 -0.3368 -1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4722 -0.8084 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 2.5876 0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2597 2.9209 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 1.7962 1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 3.0767 1.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3464 -0.8851 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3689 -1.9403 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -0.1803 -2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 -2.9091 2.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -3.3528 2.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 2.8766 0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 -1.9018 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 2.7302 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 0.7262 2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 0.2350 -2.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7733 3.5369 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6713 1.5305 2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -3.0860 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 2.3592 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8309 3.2092 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 4.0349 1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 39 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 15 21 2 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$