BN4MS0 -OEChem-04022105532D 42 44 0 0 0 0 0 0 0999 V2000 4.5981 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 25 1 0 0 0 0 3 19 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 14 2 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$