KEGG:C05669  beta-Nitropropanoate
  ISISHOST03240423122D 1   1.00000     0.00000  4795
  8  7  0     0  0            999 V2000
    0.5414    2.2241    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6621    1.0207    0.0000 C   0  0  0  0  0  0           0  0  0
    2.1828    1.7897    0.0000 O   0  0  0  0  0  0           0  0  0
    0.0966    3.8690    0.0000 O   0  0  0  0  0  0           0  0  0
    0.1897   -0.4552    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6655   -1.9241    0.0000 N   0  0  0  0  0  0           0  0  0
    0.1862   -3.4000    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.8690   -3.1276    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  2  0     0  0
  2  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  6  8  2  0     0  0
M  END