BP32JS -OEChem-04012115253D 29 30 0 0 0 0 0 0 0999 V2000 2.5477 -3.6859 1.2848 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 0.3838 1.2609 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 1.1507 -0.4965 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 1.4588 -1.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8205 -0.3655 -2.0429 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 1.2041 2.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 0.4553 0.0784 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -0.7453 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2235 0.2929 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 0.1447 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 -0.6164 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7013 -1.9314 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -0.1562 -0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.0412 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 -2.0790 0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0229 1.6871 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4889 -0.0513 -0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 3.1396 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 0.7551 1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2224 -0.9314 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -2.7422 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -1.1585 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3267 1.6195 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 1.1185 0.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3009 0.6015 -0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8374 3.5806 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0703 3.2349 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4823 3.7164 0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6205 2.0547 -1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 4 9 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 6 19 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$