KEGG:C09046 Bleekerine ISISHOST03240423212D 1 1.00000 0.00000 8086 32 36 0 1 0 999 V2000 2.5669 -10.7439 0.0000 C 0 0 0 0 0 0 0 0 0 2.5644 -11.5647 0.0000 C 0 0 0 0 0 0 0 0 0 3.2752 -11.9794 0.0000 C 0 0 0 0 0 0 0 0 0 3.2801 -10.3335 0.0000 C 0 0 0 0 0 0 0 0 0 3.9950 -10.7482 0.0000 C 0 0 0 0 0 0 0 0 0 3.9926 -11.5690 0.0000 C 0 0 0 0 0 0 0 0 0 1.8639 -10.3376 0.0000 O 0 0 0 0 0 0 0 0 0 5.9572 -9.6936 0.0000 C 0 0 0 0 0 0 0 0 0 5.1330 -9.7609 0.0000 C 0 0 0 0 0 0 0 0 0 6.4239 -10.3709 0.0000 N 0 3 0 0 0 0 0 0 0 6.0671 -11.1141 0.0000 C 0 0 0 0 0 0 0 0 0 6.5327 -11.7887 0.0000 C 0 0 0 0 0 0 0 0 0 7.2463 -10.3064 0.0000 C 0 0 0 0 0 0 0 0 0 7.7077 -10.9809 0.0000 C 0 0 2 0 0 0 0 0 0 7.3552 -11.7244 0.0000 C 0 0 1 0 0 0 0 0 0 7.8174 -12.4009 0.0000 C 0 0 0 0 0 0 0 0 0 8.6321 -12.3423 0.0000 C 0 0 0 0 0 0 0 0 0 8.9929 -11.5989 0.0000 O 0 0 0 0 0 0 0 0 0 8.5265 -10.9223 0.0000 C 0 0 1 0 0 0 0 0 0 8.8929 -10.1368 0.0000 C 0 0 0 0 0 0 0 0 0 7.4369 -13.1762 0.0000 C 0 0 0 0 0 0 0 0 0 7.9281 -13.8860 0.0000 O 0 0 0 0 0 0 0 0 0 5.2469 -11.1817 0.0000 C 0 0 0 0 0 0 0 0 0 4.7771 -10.5111 0.0000 C 0 0 0 0 0 0 0 0 0 4.7548 -11.8360 0.0000 N 0 5 0 0 0 0 0 0 0 7.4833 -14.6333 0.0000 C 0 0 0 0 0 0 0 0 0 6.5667 -13.1708 0.0000 O 0 0 0 0 0 0 0 0 0 1.1417 -10.7458 0.0000 C 0 0 0 0 0 0 0 0 0 6.9333 -12.4375 0.0000 H 0 0 0 0 0 0 0 0 0 8.1167 -10.2625 0.0000 H 0 0 0 0 0 0 0 0 0 1.8458 -11.9750 0.0000 O 0 0 0 0 0 0 0 0 0 1.1333 -11.5583 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 23 11 1 0 0 0 10 8 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 14 1 0 0 0 8 9 2 0 0 0 19 20 1 6 0 0 9 24 1 0 0 0 16 21 1 0 0 0 3 6 1 0 0 0 21 22 1 0 0 0 5 4 1 0 0 0 4 1 2 0 0 0 5 6 2 0 0 0 23 24 2 0 0 0 24 5 1 0 0 0 6 25 1 0 0 0 25 23 1 0 0 0 10 11 2 0 0 0 22 26 1 0 0 0 11 12 1 0 0 0 21 27 2 0 0 0 12 15 1 0 0 0 7 28 1 0 0 0 14 13 1 0 0 0 15 29 1 6 0 0 13 10 1 0 0 0 14 30 1 6 0 0 2 31 1 0 0 0 1 7 1 0 0 0 31 32 1 0 0 0 M CHG 2 10 1 25 -1 M END