BU82QI -OEChem-04012114012D 27 26 0 0 0 0 0 0 0999 V2000 4.5981 -0.8660 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7881 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 M END $$$$