B5U9QA -OEChem-04022113273D 27 28 0 0 0 0 0 0 0999 V2000 -2.8405 -3.4702 -0.3067 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.1294 1.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 -0.9019 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7045 2.4034 0.2812 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3643 -0.8481 0.5863 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 1.1991 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1126 0.3249 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1599 1.1056 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 0.8217 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 2.4699 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -1.0599 -0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 0.1330 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 0.5684 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -1.6111 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6293 -0.1976 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 -0.8075 0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1969 0.1424 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8404 1.7135 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1136 3.4160 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 3.1923 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 -1.6863 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 1.1933 0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5529 -0.8658 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 0.7379 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5484 -1.2404 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4525 -0.2139 1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -1.8411 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 M END $$$$