B8T6UA -OEChem-04022105232D 27 29 0 0 0 0 0 0 0999 V2000 5.4791 -0.4042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -3.9920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 3.9920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 0.5469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -1.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -2.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -3.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 -2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -2.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 2.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 -3.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 1.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -4.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 3.4755 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 14 1 0 0 0 0 3 16 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 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 0 0 0 0 11 15 2 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 17 19 1 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 $$$$