HMDB0246070
     RDKit          3D
3,5-Dinitrophenol
 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.6064   -2.1780    0.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943   -0.9851    0.0711 N   0  0  0  0  0  4  0  0  0  0  0  0
   -3.6115   -0.2547   -0.1970 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.2150   -0.3995    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059    0.9337   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417    1.5054   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2056    2.8512   -0.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2676    0.7561   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1568   -0.5768    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282   -1.3218    0.4972 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.2783   -2.5271    0.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -0.7396    0.4333 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0761   -1.1625    0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0177    1.5130   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    3.5234    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    1.2545   -0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2349   -2.1924    0.5433 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  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  2  0
 13  4  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
 13 17  1  0
M  CHG  4   2   1   3  -1  10   1  12  -1
M  END