KEGG:C06576  p-Cumic alcohol
  ISISHOST03240423152D 1   1.00000     0.00000  5643
 11 11  0     0  0            999 V2000
    0.0655   -0.6379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6552   -0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7828   -0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0655   -1.4690    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.6552    0.6034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7828    0.6034    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6517   -1.8862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7862   -1.8828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0655    1.0172    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0655    1.8483    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6517    2.2621    0.0000 O   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  2  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  6  9  2  0     0  0
M  END