BU4N3K -OEChem-04022102012D 35 37 0 0 0 0 0 0 0999 V2000 4.5981 1.9470 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -1.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 0.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2010 -1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -0.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7120 0.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 0.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$