KEGG:C01545  1-Octanal
  ISISHOST03240423042D 1   1.00000     0.00000  1416
  9  8  0     0  0            999 V2000
    0.0000   -0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7138    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7172    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4379   -0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4379   -0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1586    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1552    0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    2.8724   -0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8724   -0.1828    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
  7  9  2  0     0  0
M  END