B2XOS3 -OEChem-04042104123D 39 41 0 1 0 0 0 0 0999 V2000 -6.5113 -1.1821 -0.8292 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -0.3932 -0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 0.7079 1.8636 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 0.3474 -0.2998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 1.6863 -0.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2561 -2.9034 0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5529 1.1742 -0.4743 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.7980 -0.8418 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9809 -0.3159 -0.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 0.6598 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 1.3464 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.4730 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 1.7679 0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 -1.9752 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 1.1540 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8911 1.1163 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 -0.0768 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 -0.0007 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 2.3285 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0395 -1.3204 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 -1.1861 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 2.3029 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7862 -2.4903 0.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -2.4227 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.0295 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 0.2321 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -1.1192 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1905 0.1082 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 1.3660 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7123 2.2092 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 1.6691 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 2.6172 -0.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0317 1.8748 1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 2.0082 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 3.2713 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0019 -1.4162 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 3.2197 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 -3.4499 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6858 -3.3430 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 15 2 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 34 1 0 0 0 0 6 14 3 0 0 0 0 7 18 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$