B3QGR2 -OEChem-04022118463D 35 35 0 0 0 0 0 0 0999 V2000 3.2933 -0.3857 2.1017 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 -2.8726 -0.8961 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 -0.2627 2.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1235 0.4933 -0.7746 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 -1.2643 -0.0949 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 1.2086 -0.7232 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 2.3915 -1.3479 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1405 2.1399 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 1.6967 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 1.1026 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 -2.6399 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -0.2318 0.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0096 0.9876 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 1.9969 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -3.0316 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 0.5785 0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 1.5882 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 0.8788 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 -4.3741 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 2.3185 1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3383 3.1096 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 -3.2669 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -2.7860 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 -1.0602 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 0.7583 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 2.5474 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 -2.3748 1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 -4.0555 0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5257 1.8291 -2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8358 -4.4960 -2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8113 -4.3074 -2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -5.2526 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3241 0.7931 -1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 2.6179 -1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 2.3260 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$