B4BP2U -OEChem-04022106172D 21 22 0 0 0 0 0 0 0999 V2000 3.8366 2.1433 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9313 1.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 M END $$$$