KEGG:C02803  4-Nitroacetophenone
  ISISHOST03240423072D 1   1.00000     0.00000  2484
 12 12  0     0  0            999 V2000
    0.0000    0.7586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000    1.5069    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6483    0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6586    0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6483    1.8828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6517    1.8793    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6483   -0.3759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6586   -0.3759    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000   -0.7586    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0000   -1.5103    0.0000 N   0  3  0  0  0  0           0  0  0
    0.6448   -1.8862    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.6552   -1.8862    0.0000 O   0  5  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
  2  6  2  0     0  0
  3  7  1  0     0  0
  4  8  2  0     0  0
  7  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
  8  9  1  0     0  0
M  CHG  2  10   1  12  -1
M  END