B1XB3R -OEChem-04022103413D 40 43 0 1 0 0 0 0 0999 V2000 -4.6132 3.1320 -0.6406 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.4195 0.4888 1.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 -2.0429 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6559 -3.7219 0.2755 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8096 0.4831 0.4533 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6086 0.8269 -0.3647 N 0 0 1 0 0 0 0 0 0 0 0 0 1.7852 -1.8676 -0.5581 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.2609 -0.9724 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 1.0610 1.4221 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2267 0.0541 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 2.2627 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 1.7487 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0951 -0.0177 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -0.5260 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 -0.3764 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 -1.6810 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 0.1382 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.5517 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 -0.9298 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3877 1.3650 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8556 -0.8520 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 0.3786 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7568 1.4675 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1675 0.8996 1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 1.3625 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8098 -0.7972 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4677 -0.3299 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2326 2.6475 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 3.0710 0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2348 2.5629 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4214 1.2311 -1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9085 0.5799 -2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7794 -0.8280 -1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 -0.2882 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6615 -2.3806 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 2.2099 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 -1.7041 0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9451 0.1043 2.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6436 1.8160 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2436 1.0928 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 34 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 18 2 0 0 0 0 5 22 1 0 0 0 0 5 24 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$