B72XYZ -OEChem-04012116562D 29 30 0 0 0 0 0 0 0999 V2000 7.1962 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 8 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$