KEGG:C11600 IACI ISISHOST03240423282D 1 1.00000 0.00000 12413 37 41 0 1 0 999 V2000 14.9431 -15.6292 0.0000 N 0 0 0 0 0 0 0 0 0 15.6548 -16.0464 0.0000 C 0 0 0 0 0 0 0 0 0 15.6493 -16.8714 0.0000 C 0 0 0 0 0 0 0 0 0 16.3720 -15.6387 0.0000 O 0 0 0 0 0 0 0 0 0 14.9325 -17.2785 0.0000 C 0 0 0 0 0 0 0 0 0 14.9269 -18.1035 0.0000 C 0 0 0 0 0 0 0 0 0 15.6386 -18.5208 0.0000 C 0 0 0 0 0 0 0 0 0 16.3558 -18.1131 0.0000 C 0 0 0 0 0 0 0 0 0 16.3614 -17.2881 0.0000 C 0 0 0 0 0 0 0 0 0 14.2097 -18.5112 0.0000 I -2 0 0 0 0 0 0 0 0 15.6329 -19.3457 0.0000 N 0 0 0 0 0 0 0 0 0 16.3438 -19.7732 0.0000 N 0 3 0 0 0 0 0 0 0 17.0531 -20.1946 0.0000 N 0 5 0 0 0 0 0 0 0 14.9412 -14.8042 0.0000 C 0 0 0 0 0 0 0 0 0 14.2208 -13.5625 0.0000 C 0 0 0 0 0 0 0 0 0 14.2208 -14.3917 0.0000 C 0 0 0 0 0 0 0 0 0 14.9412 -13.1459 0.0000 C 0 0 0 0 0 0 0 0 0 15.6574 -13.5625 0.0000 C 0 0 0 0 0 0 0 0 0 15.6538 -14.3917 0.0000 C 0 0 0 0 0 0 0 0 0 16.3707 -14.8072 0.0000 N 0 0 0 0 0 0 0 0 0 17.0911 -14.3978 0.0000 C 0 0 0 0 0 0 0 0 0 17.0946 -13.5686 0.0000 C 0 0 0 0 0 0 0 0 0 16.3778 -13.1489 0.0000 C 0 0 0 0 0 0 0 0 0 16.3750 -12.3209 0.0000 C 0 0 2 0 0 0 0 0 0 17.0917 -11.9084 0.0000 C 0 0 1 0 0 0 0 0 0 17.9607 -11.4161 0.0000 N 0 0 3 0 0 0 0 0 0 17.9602 -10.6749 0.0000 C 0 0 0 0 0 0 0 0 0 18.8505 -11.8866 0.0000 C 0 0 0 0 0 0 0 0 0 17.5112 -10.8170 0.0000 C 0 0 3 0 0 0 0 0 0 17.5147 -10.2335 0.0000 C 0 0 1 0 0 0 0 0 0 18.4368 -11.2343 0.0000 C 0 0 0 0 0 0 0 0 0 17.2043 -9.4672 0.0000 C 0 0 0 0 0 0 0 0 0 16.6818 -11.3157 0.0000 C 0 0 0 0 0 0 0 0 0 15.6601 -11.9091 0.0000 O 0 0 0 0 0 0 0 0 0 17.6035 -12.5413 0.0000 H 0 0 0 0 0 0 0 0 0 17.7117 -8.8166 0.0000 C 0 0 0 0 0 0 0 0 0 17.0784 -16.8801 0.0000 O 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 11 12 2 0 0 0 12 13 2 0 0 0 3 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 3 1 0 0 0 2 3 1 0 0 0 6 10 1 0 0 0 1 2 1 0 0 0 23 24 1 0 0 0 15 16 1 0 0 0 25 26 1 0 0 0 24 25 1 0 0 0 16 14 2 0 0 0 14 19 1 0 0 0 18 17 1 0 0 0 17 15 2 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 26 27 1 0 0 0 26 28 1 0 0 0 33 29 1 0 0 0 27 30 1 0 0 0 28 31 1 0 0 0 30 32 1 1 0 0 29 30 1 0 0 0 29 31 1 0 0 0 25 33 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 24 34 1 1 0 0 22 23 2 0 0 0 25 35 1 1 0 0 23 18 1 0 0 0 32 36 1 0 0 0 14 1 1 0 0 0 7 11 1 0 0 0 9 37 1 0 0 0 M CHG 2 12 1 13 -1 M ISO 1 10 125 M END