HMDB0245464
     RDKit          3D
2,4-Dinitrotoluene
 19 19  0  0  0  0  0  0  0  0999 V2000
   -2.4560   -0.7861   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9978   -0.4879   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900   -1.4093   -0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642   -1.1538   -0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7794    0.0237   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890    0.2894   -0.1582 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.9122   -0.6045   -0.6354 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7083    1.4591    0.3311 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.8841    0.9501    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808    0.6896    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648    1.6714    0.8961 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.9895    2.4872    1.7841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    1.7501    0.4477 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9336   -0.1397   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6215   -1.8674   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9060   -0.5300    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -2.3248   -1.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624   -1.8968   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006    1.8799    0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  9 19  1  0
M  CHG  4   6   1   8  -1  11   1  13  -1
M  END