BQCE96 -OEChem-04012115172D 39 42 0 0 0 0 0 0 0999 V2000 7.0479 4.0105 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.9654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.5346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 2.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2754 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -4.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -4.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 -3.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2198 -3.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -4.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8398 -4.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 20 2 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$