KEGG:C02123  3-Propylmalate
  ISISHOST03240423052D 1   1.00000     0.00000  1925
 12 11  0     1  0            999 V2000
    0.1621    0.0931    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.4862    0.4690    0.0000 C   0  0  1  0  0  0           0  0  0
    0.1621   -0.6552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8103    0.4690    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1379    0.0931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4862    1.2172    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8103   -1.0310    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4586    0.0931    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8103    1.2172    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7862    0.4724    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1345   -0.6552    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8103   -1.7828    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  1     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  5 11  2  0     0  0
  7 12  1  0     0  0
M  END