BUFJ45 -OEChem-04022102252D 45 48 0 0 0 0 0 0 0999 V2000 9.5941 0.4176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8638 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 1.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 -2.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -4.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1699 2.9403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5008 2.1972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 3.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 3.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9495 4.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5755 2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5755 4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4816 3.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0835 2.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4816 4.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0008 1.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -4.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 -2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 -0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 1.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8155 5.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4126 4.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5683 1.8790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5683 5.1882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0173 2.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0173 4.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -4.9653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -2.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -5.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -2.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6428 0.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 -3.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 -2.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 17 2 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 30 3 0 0 0 0 M END $$$$