B8BHP3 -OEChem-04022101522D 45 48 0 0 0 0 0 0 0999 V2000 6.3301 0.5140 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0140 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.6480 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 3.3800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 -1.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -1.1812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -2.7907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 -1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -0.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 8 23 2 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 29 2 0 0 0 0 18 35 1 0 0 0 0 19 25 2 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 25 40 1 0 0 0 0 26 30 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$