BCJM04 -OEChem-04022108082D 46 49 0 1 0 0 0 0 0999 V2000 5.4641 -3.3529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 3.3529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0016 2.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 2.7130 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3529 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1471 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 0.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 2.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -1.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 12 7 1 1 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 14 9 1 1 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 22 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 21 1 6 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$