B53GYP -OEChem-04022106282D 29 28 0 1 0 0 0 0 0999 V2000 5.4641 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 13 2 0 0 0 0 7 4 1 1 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 M END $$$$