BBWU23 -OEChem-04022115413D 37 40 0 0 0 0 0 0 0999 V2000 5.9208 1.2171 1.3247 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 2.5325 0.5899 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 1.9686 -0.4385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8996 0.3251 -0.6089 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4113 -1.2584 2.4994 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 -1.1654 -0.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9854 -1.9124 -0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1174 -2.4608 -0.9183 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7377 0.0323 -1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2879 -0.1402 -1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 -0.4037 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6524 -0.2110 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 0.6482 -2.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3749 0.8585 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 0.9433 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3051 0.4984 0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4582 0.4099 -0.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -1.0243 1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9050 0.8367 -1.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 -0.8474 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1534 -0.6572 1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 1.4751 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.6292 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -1.4260 2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 -2.8679 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 -1.1724 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -0.0074 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 0.9909 -3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -0.6150 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5196 0.5651 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -1.2059 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5332 1.3170 -2.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2030 -0.5397 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 3.5284 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -1.9100 3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8432 -0.5782 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -3.8929 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 23 1 0 0 0 0 3 14 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 21 2 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 36 1 0 0 0 0 7 20 2 0 0 0 0 7 25 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 24 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$