HMDB0244170
     RDKit          3D
1,3-Dinitrobenzene
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.5006   -2.0991   -0.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650   -0.8734   -0.1167 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.6071   -0.1110   -0.1492 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.2204   -0.1906   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1369    1.1864   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0945    1.8468    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2454    1.0885    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1900   -0.2942    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -1.0671    0.0774 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.2919   -2.3104    0.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6289   -0.5230    0.1385 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0438   -0.8991   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657    1.7291   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    2.9266    0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142    1.5747    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -1.9845   -0.0404 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  1  0
  9 10  2  0
  9 11  1  0
  8 12  2  0
 12  4  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
 12 16  1  0
M  CHG  4   2   1   3  -1   9   1  11  -1
M  END