KEGG:C02497 2-Butyne-1,4-diol ISISHOST03240423062D 1 1.00000 0.00000 2235 6 5 0 0 0 999 V2000 -0.3241 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0.3241 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9759 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0.9759 0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6241 0.1862 0.0000 O 0 0 0 0 0 0 0 0 0 1.6241 -0.1862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 M END