B4ADR3 -OEChem-04022113393D 59 63 0 0 0 0 0 0 0999 V2000 -10.5756 3.8550 -0.7628 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 -0.9024 -1.7482 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4611 3.1472 0.4821 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3108 -1.5663 0.1183 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8079 -2.0740 -0.8146 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -2.1131 0.5166 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3419 -0.1236 -0.1662 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 1.9653 0.8559 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 -2.8063 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -3.4174 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1239 -1.8799 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8694 -2.3621 -1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 -0.8791 0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3333 -0.6018 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1747 -0.1598 0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 -1.7729 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2473 0.8184 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9816 2.1878 0.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 0.3544 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7979 -0.9686 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -1.6585 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9736 3.0931 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4970 1.2596 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -0.4473 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4752 -1.8316 1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2314 2.6289 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0535 -0.6325 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7561 -1.3153 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 1.0905 0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 1.5688 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0664 0.9026 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2471 1.6984 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0573 2.9425 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -3.6276 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3289 -4.1458 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -3.9695 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -1.3340 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5609 -2.4918 2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4584 -1.7175 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7266 -2.8911 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -0.3122 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7174 -0.1609 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 0.2604 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0170 -1.0690 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2356 -1.7422 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 0.3093 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6412 -1.0318 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0049 2.5612 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7233 -0.7101 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7502 4.1568 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4715 0.8815 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 0.0856 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -2.3634 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -1.4555 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 2.8954 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 1.7154 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0007 -0.1071 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 1.3750 -1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7798 3.7410 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 16 1 0 0 0 0 2 20 1 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 16 2 0 0 0 0 6 21 1 0 0 0 0 7 27 1 0 0 0 0 7 29 2 0 0 0 0 8 29 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 23 2 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 M END $$$$