B81ZOJ -OEChem-04022106132D 41 44 0 0 0 0 0 0 0999 V2000 11.4580 2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 -0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 0.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5780 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 18 2 0 0 0 0 4 11 2 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$