KEGG:C07330  3-Methylbut-2-enal
  ISISHOST03240423172D 1   1.00000     0.00000  6379
  6  5  0     0  0            999 V2000
    0.1172   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5931    0.0690    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8310    0.0690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3069   -0.3448    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.5931    0.8931    0.0000 C   0  0  0  0  0  0           0  0  0
    1.5448   -0.3448    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  6  2  0     0  0
M  END