B45EMH -OEChem-04012117522D 29 31 0 0 0 0 0 0 0999 V2000 4.6783 -2.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -1.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 0.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.6345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 2.5005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 2 0 0 0 0 3 17 1 0 0 0 0 3 28 1 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$