KEGG:C00114 Choline ISISHOST03240423012D 1 1.00000 0.00000 112 7 6 0 0 0 999 V2000 0.1724 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5207 0.1690 0.0000 N 0 3 3 0 0 0 0 0 0 0.8621 0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2414 -0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5172 0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3103 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 1.5552 -0.2310 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 M CHG 1 2 1 M END