L8BR9M -OEChem-05022321362D 42 45 0 0 0 0 0 0 0999 V2000 5.0653 -1.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4756 -1.6657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.1390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 -1.8610 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.4754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 -0.2677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0592 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5294 -1.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4756 -0.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 0.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0948 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 0.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -1.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 -0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5592 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5592 -1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 1.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7099 2.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5592 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5592 -1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0592 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6682 0.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6682 -2.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 0.7590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 -1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 1.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2986 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 2.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2492 -2.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2763 2.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 2.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8692 0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8692 -2.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 -0.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 3 29 1 0 0 0 0 4 9 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 31 1 0 0 0 0 6 15 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 16 22 1 0 0 0 0 17 30 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 20 36 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 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 25 42 1 0 0 0 0 M END $$$$