B2D6QU -OEChem-04022105112D 27 29 0 0 0 0 0 0 0999 V2000 5.4791 0.0526 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.5352 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 2.8307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 0.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 4.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -4.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 3.9323 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 10 1 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 20 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 16 24 1 0 0 0 0 17 19 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 $$$$