BAGB25 -OEChem-04022101212D 49 51 0 1 0 0 0 0 0999 V2000 8.5000 -2.7320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4706 0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2796 -0.6388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4487 0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9487 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9766 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4219 -0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0234 -1.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5781 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9766 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0234 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4219 -2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 1.2120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 1.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 2.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 2.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7009 1.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 0.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 23 1 0 0 0 0 6 16 2 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 36 1 0 0 0 0 8 15 2 0 0 0 0 8 21 1 0 0 0 0 18 9 1 6 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$