KEGG:C03071  3-aci-Nitropropanoate
  ISISHOST03240423072D 1   1.00000     0.00000  2712
  8  7  0     0  0            999 V2000
    1.0724   -0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.3586    0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7862    0.2069    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0724   -1.0310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.3586   -0.2069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0724    0.2069    0.0000 N   0  3  0  0  0  0           0  0  0
   -1.0724    1.0310    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7862   -0.2069    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  2  0     0  0
  6  7  2  0     0  0
  6  8  1  0     0  0
M  CHG  2   6   1   8  -1
M  END