B7LU4D -OEChem-04042106133D 28 30 0 0 0 0 0 0 0999 V2000 -6.4286 -0.6264 -0.0002 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 -2.1881 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2122 2.1604 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 1.7393 -0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 -0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 -0.1025 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -1.3115 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 0.9481 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8256 1.0477 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -1.4465 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9336 0.5691 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.6559 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 0.7325 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -0.5958 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 0.3986 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 0.3958 -1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9286 0.0403 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 0.0376 -1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 -0.1402 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 2.0828 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7339 -2.0225 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 -2.6884 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 -0.8168 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 0.5380 2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 0.5331 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4393 -0.0944 2.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4381 -0.0993 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 2.5928 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 8 2 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$