D0X8TS -OEChem-04152122393D 20 20 0 0 0 0 0 0 0999 V2000 -3.4458 -1.6298 -0.6699 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 1.6402 0.3262 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3328 -1.4757 1.7545 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6781 0.5100 -1.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -2.2175 -0.3139 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 1.1908 1.1912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 0.5538 0.0533 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 0.7885 -0.4422 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2958 -1.3112 0.5204 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0134 0.0485 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 0.8694 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 0.0744 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 0.7132 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 0.2454 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 0.5065 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2936 1.9514 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0401 0.8079 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4343 -0.8856 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 0.3635 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 0.7576 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 13 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 4 2 -1 3 -1 8 1 9 1 M END $$$$