KEGG:C01837  Nitroethane
  ISISHOST03240423052D 1   1.00000     0.00000  1675
  5  4  0     0  0            999 V2000
    0.2586    0.0000    0.0000 N   0  3  0  0  0  0           0  0  0
   -0.3897   -0.3724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2586    0.7483    0.0000 O   0  0  0  0  0  0           0  0  0
    0.9138   -0.3759    0.0000 O   0  5  0  0  0  0           0  0  0
   -1.0414    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
M  CHG  2   1   1   4  -1
M  END