KEGG:C02116  2-Nitropropane
  ISISHOST03240423052D 1   1.00000     0.00000  1919
  6  5  0     0  0            999 V2000
   -0.0138   -0.4034    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.0138    0.3448    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.6655   -0.7793    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6345   -0.7793    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7517    0.8103    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8103    0.8069    0.0000 O   0  5  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
M  CHG  2   2   1   6  -1
M  END