BI4BM3 -OEChem-04022106382D 43 45 0 1 0 0 0 0 0999 V2000 2.7123 -5.1578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -6.1578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 1.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 4.5487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.9126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 -0.6190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 3.4183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9444 -0.6190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -1.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 4.7566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4839 5.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 6.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 5.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -1.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -2.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -3.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 -3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 -3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 -4.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 -4.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 4.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0904 5.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 6.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 6.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 6.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4864 5.8754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3997 5.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 2.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 3.2721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 1.8478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 0.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 -0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8474 -3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8474 -4.9678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 17 3 0 0 0 0 9 10 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 1 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$