KEGG:C02648  4-Hydroxy-2-butynal
  ISISHOST03240423062D 1   1.00000     0.00000  2354
  6  5  0     0  0            999 V2000
   -0.3586    0.0690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3586   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0724    0.4828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0724    0.0690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7862    0.0690    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7862   -0.3448    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  2  0     0  0
M  END