B6DUC2 -OEChem-04012119452D 29 28 0 1 0 0 0 0 0999 V2000 7.1962 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0950 0.0000 C 0 0 0 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 7.1962 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.3799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 28 1 0 0 0 0 2 14 1 0 0 0 0 2 29 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 7 5 1 6 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$