HMDB0245952
     RDKit          3D
3-Nitrotoluene
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.4698   -0.5505   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.0019   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615    1.3364    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    1.7967    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    0.9699    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.3665   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974   -1.2576   -0.1438 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.1896   -2.4501   -0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6729   -0.8082   -0.0110 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0104   -0.8179   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5119   -1.1658   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630   -1.2501    0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.2444   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7260    1.9728    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5687    2.8573    0.5403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5567    1.3618    0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620   -1.8708   -0.3572 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  1  0
  7  8  2  0
  7  9  1  0
  6 10  2  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
 10 17  1  0
M  CHG  2   7   1   9  -1
M  END