B4BEN9 -OEChem-04022109412D 42 45 0 0 0 0 0 0 0999 V2000 7.6214 3.0832 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -2.1557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6928 -2.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 1.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 -0.8806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -1.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 1.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 -1.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -1.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 1.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 3.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 2.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -2.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 -1.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7767 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3060 -1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 -0.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 0.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 0.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 3.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 2.8690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 -3.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8441 3.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5467 -0.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 -3.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2931 1.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 -0.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0678 -3.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 2.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2844 -2.4689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9256 -1.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3277 -1.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 39 1 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 15 21 2 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$