BC3AO8 -OEChem-04042106583D 49 53 0 0 0 0 0 0 0999 V2000 -5.9247 -3.4459 1.2225 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 0.1832 2.4234 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -0.0302 -2.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 0.4463 1.4846 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -0.1706 -0.3231 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 0.0789 -0.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 0.3150 1.8026 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 -2.1671 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2468 -3.1533 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -2.8111 -1.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 -0.7007 -0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0342 0.3415 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 1.1943 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 1.5405 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -0.9230 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4522 0.2170 -1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 2.0631 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 -0.8647 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -1.7332 1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 0.2090 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 2.8882 -1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 2.0747 1.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4417 -1.6166 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2526 -2.4850 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8636 0.0744 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2139 0.3353 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 -2.4268 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6928 3.7252 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 2.9116 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 3.7369 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 0.1928 1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -2.5272 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4253 -4.1333 -0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -2.7964 -2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2784 -2.2269 -2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -3.5601 -1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 2.5470 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 0.1321 -2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3647 -0.2544 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2468 -1.7833 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 2.8901 -2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3822 1.4515 1.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3321 -1.5628 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2102 -3.1093 2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0628 4.3672 -1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 2.9230 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 4.3888 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8088 -0.0108 -0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2264 0.3984 2.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 31 2 0 0 0 0 3 25 2 0 0 0 0 4 26 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 25 1 0 0 0 0 6 31 1 0 0 0 0 6 48 1 0 0 0 0 7 26 1 0 0 0 0 7 31 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 39 1 0 0 0 0 19 24 2 0 0 0 0 19 40 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 28 1 0 0 0 0 21 41 1 0 0 0 0 22 29 2 0 0 0 0 22 42 1 0 0 0 0 23 27 2 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 24 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$