BCKS89 -OEChem-04022107392D 36 36 0 0 0 0 0 0 0999 V2000 6.8671 2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8671 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8671 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$