BUIR78 -OEChem-04022114043D 39 41 0 0 0 0 0 0 0999 V2000 7.4089 1.4703 -0.2973 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.5473 2.1426 0.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -0.4135 1.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -2.9095 -0.4775 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 -0.4496 -0.4534 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 -1.7235 0.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8524 0.4129 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 -0.0870 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9334 -0.4062 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2549 -1.7131 -0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 1.7971 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2001 0.1727 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4859 -0.1015 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3271 1.5607 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 2.3566 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4759 -2.9092 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 0.2781 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -4.2788 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3923 0.6363 -0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 0.2751 1.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7307 0.9916 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1218 0.6303 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5954 0.9885 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 1.2790 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9298 -0.7698 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 0.9231 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 2.4226 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0155 -0.4967 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3447 3.4328 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -4.4808 -0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 -4.2749 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -5.0615 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 0.6519 -1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4381 -0.0001 2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 1.2682 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7827 0.6229 2.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8398 0.5701 -0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4846 0.7789 1.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5266 1.9074 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 13 2 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$