KEGG:C08279  Tiglic acid
  ISISHOST03240423192D 1   1.00000     0.00000  7322
  7  6  0     0  0            999 V2000
    0.1034   -0.1759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6172    0.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8207    0.2345    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1034   -1.0069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3345   -0.1759    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6172    1.0655    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5414   -0.1759    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
M  END