KEGG:C06142 1-Butanol ISISHOST03240423142D 1 1.00000 0.00000 5227 5 4 0 0 0 999 V2000 0.0034 -0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7172 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0.7138 0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4310 -0.1690 0.0000 C 0 0 0 0 0 0 0 0 0 1.4310 -0.1655 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 3 5 1 0 0 0 M END