BU27NR -OEChem-04012112512D 40 42 0 0 0 0 0 0 0999 V2000 7.1962 1.4227 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.6015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0773 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.6120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 1.4574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5773 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -1.2319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 2.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 20 1 0 0 0 0 7 34 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 35 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 16 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$