BP97JB -OEChem-04022106182D 21 21 0 0 0 0 0 0 0999 V2000 2.0000 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 13 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$