B5LAH4 -OEChem-04022105313D 51 55 0 1 0 0 0 0 0999 V2000 4.7653 2.5681 -0.9088 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3447 3.3066 0.9458 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -2.6328 -1.3206 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 -3.8850 1.1869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 1.0445 -0.3008 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0668 1.1286 0.2158 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3316 1.9676 -0.6008 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 -0.1085 -1.1762 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0173 -0.6844 -1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3225 -1.0961 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7592 0.1630 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5055 -1.4367 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 -1.6737 0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -0.1022 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3815 -2.3543 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 2.0115 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 -2.9531 0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 -2.6018 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1531 0.8480 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4779 -1.3562 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 -3.2956 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 -4.4164 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4784 0.5442 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8033 -1.6600 0.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 2.4357 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 -0.7098 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 2.8757 -1.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 2.4574 1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 3.3374 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 2.9191 1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 3.3592 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 0.2389 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.7559 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -0.4658 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7561 -0.9837 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8954 -1.4199 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 -3.0525 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 -2.1070 0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 -3.6961 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9556 -2.5552 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5798 -4.9574 0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3417 -5.1340 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 1.6398 -1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2716 1.2714 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -2.6357 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8353 -0.9465 0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 2.8642 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 2.0786 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5267 3.6796 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 2.9259 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0194 3.7163 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 16 2 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 7 25 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 18 2 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$