BD21JM -OEChem-04022101273D 51 54 0 1 0 0 0 0 0999 V2000 -5.8387 3.0774 2.0104 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.8918 0.7464 0.0615 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2925 -1.1253 -1.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 -2.2133 -1.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.8418 -2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 -2.0981 -0.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 2.8018 -1.0891 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0753 -2.0158 -0.1764 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4952 -3.3637 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -1.5059 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 -3.1089 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 -1.7379 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1738 -0.1269 -0.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 -0.6959 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 1.2143 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 -0.4658 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 0.5363 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 2.2167 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1012 -0.6959 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 1.8777 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 1.5899 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 0.1846 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6167 0.5041 2.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0795 1.3755 1.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -0.9940 1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7487 1.0238 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -1.3334 1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 0.6846 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 -0.4941 1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3258 3.3002 -1.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 -2.1455 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -4.1243 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 -3.7034 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 -1.9004 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 -0.4171 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -4.0054 -1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9521 -2.6892 -2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 -1.5178 -0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 3.2720 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -1.5162 2.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 2.6919 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6434 0.7076 3.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 -1.6626 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6651 1.9355 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 3.3571 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2420 -2.2475 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8617 1.3342 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -0.7583 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1852 4.2479 -1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9039 3.4764 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 2.5942 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 7 30 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$