KEGG:C11006  2,4-Dinitrotoluene
  ISISHOST03240423272D 1   1.00000     0.00000 10307
 13 13  0     0  0            999 V2000
    3.6250  -11.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6250  -12.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3454  -12.8417    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0615  -12.4250    0.0000 C   0  0  0  0  0  0           0  0  0
    5.0615  -11.5958    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3454  -11.1833    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3464  -10.3542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.7805  -11.1839    0.0000 N   0  3  0  0  0  0           0  0  0
    4.3464  -13.6708    0.0000 N   0  3  0  0  0  0           0  0  0
    6.4988  -11.5969    0.0000 O   0  0  0  0  0  0           0  0  0
    5.7811  -10.3547    0.0000 O   0  5  0  0  0  0           0  0  0
    3.6283  -14.0842    0.0000 O   0  0  0  0  0  0           0  0  0
    5.0656  -14.0824    0.0000 O   0  5  0  0  0  0           0  0  0
  6  7  1  0     0  0
  1  2  2  0     0  0
  5  8  1  0     0  0
  2  3  1  0     0  0
  3  9  1  0     0  0
  3  4  2  0     0  0
  8 10  2  0     0  0
  4  5  1  0     0  0
  8 11  1  0     0  0
  5  6  2  0     0  0
  9 12  2  0     0  0
  6  1  1  0     0  0
  9 13  1  0     0  0
M  CHG  4   8   1   9   1  11  -1  13  -1
M  END