KEGG:C08256  Pinitol
  ISISHOST03240423192D 1   1.00000     0.00000  7299
 13 13  0     0  0            999 V2000
    0.0552   -0.6690    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6655   -0.2552    0.0000 C   0  0  1  0  0  0           0  0  0
    0.7724   -0.2552    0.0000 C   0  0  2  0  0  0           0  0  0
    0.0586   -1.5000    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6655    0.5759    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3828   -0.6724    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7724    0.5759    0.0000 C   0  0  2  0  0  0           0  0  0
    1.4897   -0.6690    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6621   -1.9138    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0552    0.9862    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3828    0.9897    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4897    0.9862    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0586    1.8172    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  1  1     0  0
  2  5  1  0     0  0
  2  6  1  6     0  0
  3  7  1  0     0  0
  3  8  1  6     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  1     0  0
  7 12  1  6     0  0
 10 13  1  1     0  0
  7 10  1  0     0  0
M  END