KEGG:C02235  4-Nitrocatechol
  ISISHOST03240423062D 1   1.00000     0.00000  2022
 11 11  0     0  0            999 V2000
   -0.1207   -0.4552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5345   -0.0724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7724   -0.0724    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1241   -1.2069    0.0000 N   0  3  0  0  0  0           0  0  0
    0.5345    0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7724    0.6862    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6552   -1.7621    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.8724   -1.7310    0.0000 O   0  5  0  0  0  0           0  0  0
   -0.1207    1.0586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1828    1.0621    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1241    1.8103    0.0000 O   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  2  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  5 10  1  0     0  0
  9 11  1  0     0  0
  6  9  2  0     0  0
M  CHG  2   4   1   8  -1
M  END