B6KPY8 -OEChem-04022106282D 31 31 0 1 0 0 0 0 0999 V2000 5.1350 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 12 2 0 0 0 0 6 3 1 6 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 15 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$