B70BNL -OEChem-04042104513D 54 55 0 1 0 0 0 0 0999 V2000 7.8626 -2.4236 -1.3260 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5889 2.7149 0.7591 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 -2.4260 0.6981 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 -2.9759 -0.5929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -3.1994 1.9069 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 0.9464 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2435 -1.0316 0.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 0.4522 -2.6723 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 3.3270 -0.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2294 -0.9000 0.8883 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 3.2772 0.9756 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 0.1901 -2.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 2.8784 1.6654 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 0.1471 -0.1368 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3858 1.3879 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7697 2.3216 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 3.5771 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3866 0.4831 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7886 -2.0093 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -1.9631 1.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 -1.7268 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -1.3517 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -1.6343 1.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 -1.3979 -0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2399 3.1751 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 -0.7550 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 -0.4573 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 0.7719 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -1.4098 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -1.1331 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0345 1.0486 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 0.0961 -0.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -0.2278 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5995 1.0682 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1204 1.9412 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 2.6246 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 1.7778 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5925 -0.6042 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 4.2270 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9223 4.1372 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3305 3.1262 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -2.1717 2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 -1.7641 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6967 -0.0753 -2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -1.5976 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 -1.1878 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 0.1219 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -1.6198 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1037 -0.4289 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 1.5109 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8964 -2.3688 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.7538 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 2.7718 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 0.3121 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 10 1 0 0 0 0 3 19 1 0 0 0 0 6 18 2 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 9 25 2 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 41 1 0 0 0 0 12 18 1 0 0 0 0 12 44 1 0 0 0 0 13 25 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 2 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 54 1 0 0 0 0 M END $$$$