B3SP6Q -OEChem-04012114043D 43 45 0 0 0 0 0 0 0999 V2000 1.3266 -3.1652 -0.6427 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 2.3894 0.8065 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 0.8844 -0.6125 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 -0.5593 0.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 -3.0015 -0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -1.0120 1.1133 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7335 2.5230 -0.2519 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 -1.1327 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 0.0881 1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.4594 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 -2.0188 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 0.2117 1.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9597 -0.7771 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 -1.8497 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 1.1304 2.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 0.3615 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 -0.6665 -1.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 0.1928 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1337 0.3796 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6962 0.9863 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 -0.0417 -2.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 0.7847 -2.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7159 1.4855 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9162 -0.5575 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 1.6564 0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 -0.3867 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 0.7203 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8196 1.8338 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5832 -0.7627 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5285 -2.1948 1.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 1.0564 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 1.5809 1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 0.7089 3.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 1.9519 2.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3913 0.5164 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6652 -1.3018 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 1.1754 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 -0.3045 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8068 -0.2000 -3.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 1.2645 -2.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4666 -1.4244 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 2.5180 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9161 -1.1155 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 3 27 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 28 3 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 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 28 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$