KEGG:C06578  p-Cumate
  ISISHOST03240423152D 1   1.00000     0.00000  5645
 12 12  0     0  0            999 V2000
    0.0000   -0.8241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000   -1.6517    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.7172   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7103   -0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7138   -2.0621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7172   -2.0621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7172    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7103    0.4138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000    0.8241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000    1.6517    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7172    2.0621    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7138    2.0621    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  7  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 10 12  2  0     0  0
  8  9  2  0     0  0
M  END