KEGG:C09847  cis-Citral
  ISISHOST03240423242D 1   1.00000     0.00000  8889
 11 10  0     0  0            999 V2000
    0.9793    0.2655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2621   -0.1517    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6897   -0.1483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9759    1.0931    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4552    0.2621    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6897   -0.9724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1724   -0.1552    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4069   -1.3793    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8897    0.2586    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6034   -0.1586    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8897    1.0862    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
  3  6  1  0     0  0
  5  7  1  0     0  0
  6  8  2  0     0  0
  7  9  2  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
M  END