BZRQ29 -OEChem-04022105233D 31 33 0 0 0 0 0 0 0999 V2000 -2.9958 -0.4743 -2.5512 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 1.6371 -0.5215 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 1.6159 -1.9709 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 2.8863 0.2133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -2.5544 -0.7454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 0.7657 0.0335 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 0.6485 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 -0.7387 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1337 -0.6409 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 -1.3998 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 1.2610 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -1.5281 0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3084 -1.2536 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.4674 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.5880 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6911 -0.9233 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 -0.1912 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -0.3583 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 0.4353 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1867 0.2684 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0275 0.6652 0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 1.1974 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 2.3409 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -2.6128 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3751 -2.3385 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7450 0.9317 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5401 -1.5379 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 -0.6609 2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3241 0.7520 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4769 0.4474 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9721 1.1532 1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$