BXE8K4 -OEChem-04012118082D 43 45 0 1 0 0 0 0 0999 V2000 12.0016 1.8417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3618 3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 2.4630 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 0.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.8721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.0778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 15 2 0 0 0 0 17 10 1 6 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$