KEGG:C02516  3-Nitropropanoate
  ISISHOST03240423062D 1   1.00000     0.00000  2252
  8  7  0     0  0            999 V2000
    1.0069   -0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3552    0.1483    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0035   -0.9759    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6552    0.1517    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.2931   -0.2276    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9414    0.1483    0.0000 N   0  3  0  0  0  0           0  0  0
   -1.8586   -0.2517    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9276    1.2310    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  2  0     0  0
  2  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
M  CHG  2   6   1   8  -1
M  END