HMDB0246344
     RDKit          3D
4-Amino-2,6-dinitrotoluene
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.2628   -0.8139    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8572   -0.3580   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032   -1.1894   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -2.5496   -0.5534 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.0075   -2.9685   -1.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9005   -3.5360   -0.1838 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5003   -0.6616   -0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719    0.6592   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1007    1.1564   -0.0451 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055    1.4842    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074    0.9950    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6737    1.8852    0.5108 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.7658    1.7064   -0.0465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4833    2.9606    1.3732 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.7032   -0.2967    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3994   -1.9000    0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225   -0.4851   -0.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049   -1.3394   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3079    2.1807   -0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9198    0.5303    0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841    2.5399    0.4360 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
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11  2  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  7 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
M  CHG  4   4   1   6  -1  12   1  14  -1
M  END