DR2074 -OEChem-08132116453D 48 48 0 1 0 0 0 0 0999 V2000 -2.6722 -5.1471 0.9425 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3665 1.6675 -2.9494 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 0.8401 -1.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0552 -0.2142 2.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -3.4364 -0.6845 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6055 -1.9388 -2.2866 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 2.6246 -3.5424 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 0.7478 -3.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.9611 2.7510 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6912 0.6976 1.4911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 3.0929 -0.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 -1.4793 -0.1913 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5824 -2.2513 -1.0732 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6524 1.9291 1.5507 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 1.0554 1.8951 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1418 -0.8436 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -0.7075 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 -2.9075 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.1664 1.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 -1.2242 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 -0.0561 -2.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 0.7957 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 -3.2216 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -0.5949 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.4150 1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.5905 1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9048 2.5053 1.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 2.3833 0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4793 2.5500 -1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 0.0466 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8335 -1.3545 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 -3.3851 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 -3.3574 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 0.5000 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -0.8146 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 1.5776 2.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -2.8084 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 -2.8774 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5246 -0.9063 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 2.5343 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 3.5591 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 2.0121 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9132 2.8201 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 1.3391 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 1.8367 -1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 3.2338 -2.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 3.1142 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2722 2.9929 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 29 1 0 0 0 0 3 21 1 0 0 0 0 4 26 2 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 9 15 1 0 0 0 0 10 15 2 0 0 0 0 11 28 1 0 0 0 0 11 48 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 20 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 40 1 0 0 0 0 15 25 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 24 2 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 25 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 4 5 -1 9 -1 13 1 15 1 M END $$$$