B9VLE0 -OEChem-04012113502D 43 45 0 0 0 0 0 0 0999 V2000 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 25 1 0 0 0 0 2 23 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 34 1 0 0 0 0 6 17 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$