BD3WZ4 -OEChem-04022102452D 39 41 0 0 0 0 0 0 0999 V2000 5.4641 0.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -1.1576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4957 2.3529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -0.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -2.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 -2.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7744 -1.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 3 31 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 18 3 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$