HMDB0060331
     RDKit          3D
1-Nitronaphthalene-5,6-oxide
 21 23  0  0  0  0  0  0  0  0999 V2000
    1.9942   -2.6900   -0.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -1.6348    0.0166 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.5134   -1.6320    0.6914 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5627   -0.4287    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2686    0.7981    0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401    2.0141    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2730    2.0213    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4787    0.8473    0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785   -0.3745    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6298   -1.5820   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592   -1.5734   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881   -0.2833   -0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5391    0.5132   -1.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344    0.9029    0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    0.7570    0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680    2.9519    0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    2.9449    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915   -2.5325    0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838   -2.5150   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438   -0.3161    0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033    1.8117    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  9  4  1  0
 14 12  1  0
 14  8  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
 14 21  1  0
M  CHG  2   2   1   3  -1
M  END