BXD1H8 -OEChem-04022113323D 43 44 0 1 0 0 0 0 0999 V2000 -6.5545 -3.8870 -0.4566 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 1.6046 -1.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2380 -0.1292 0.8494 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4197 -0.0247 0.4132 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6252 -2.8138 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9835 -0.5795 -0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 2.1126 0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8687 -1.3673 0.8288 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7242 1.8809 0.5195 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0092 1.1766 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 0.8811 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 3.2260 0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.8563 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 1.1184 -0.0953 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1721 -0.1552 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 1.7818 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -0.3652 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 1.4856 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1202 -0.6615 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 0.2639 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 -1.3902 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1569 -2.1036 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8022 -1.3986 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2443 -1.5117 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 1.2595 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 1.7977 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 0.2352 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5343 2.8052 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 0.1227 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 0.4761 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 3.8849 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 3.1000 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 3.7458 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 1.8796 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1808 2.7354 -1.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -1.0904 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 2.2098 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 -1.6117 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 1.8195 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3344 -1.7183 -1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6857 -1.8358 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 -1.9522 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5643 -2.9167 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 39 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 43 1 0 0 0 0 6 24 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 21 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$