B3MWL2 -OEChem-04022108463D 41 44 0 0 0 0 0 0 0999 V2000 -7.4599 0.5269 0.1906 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8996 2.1668 -0.0960 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 -2.3605 2.0246 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 1.8193 -0.6125 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -0.7568 -0.4273 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3789 2.8640 0.4615 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3531 1.4399 0.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 3.5876 1.4373 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 0.6154 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.6191 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1006 0.3177 -1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 1.8377 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 -0.1487 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 0.4433 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -0.3313 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9061 0.4422 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0827 -1.7117 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 2.5730 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6919 -1.1996 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7841 -0.1888 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9605 -2.3425 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 -1.5812 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7391 -0.2799 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -2.5581 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0406 -0.7190 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2471 -2.9972 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2945 -2.0777 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5426 1.2140 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -0.3574 -2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -1.1506 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 2.5773 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7682 -1.4881 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 -2.3148 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 0.4035 1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -3.4283 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5703 0.7778 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1384 -3.2849 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 4.4592 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 3.4289 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 -4.0550 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3027 -2.4365 0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 16 1 0 0 0 0 3 22 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 32 1 0 0 0 0 6 12 1 0 0 0 0 6 18 2 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 33 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END $$$$