B1KRA8 -OEChem-04022110142D 38 38 0 0 0 0 0 0 0999 V2000 6.0010 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 2 0 0 0 0 2 4 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 19 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 20 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 20 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END $$$$