B3DUG2 -OEChem-04022105472D 28 30 0 0 0 0 0 0 0999 V2000 4.6783 -0.3717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.1651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 1.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M END $$$$