HMDB0032016
     RDKit          3D
2,4,6-Trimethylbenzaldehyde
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.1322   -0.5874   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -0.3134   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235   -1.2930   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6226   -1.0463   -0.2417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6389   -2.1053   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0544    0.2078    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839    0.4692    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0628    0.3160    1.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962    1.2017    0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5753    2.5542    0.7446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2420    0.9368    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023   -0.4471    0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260   -1.6362   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    0.0501   -1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0370   -2.2831   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2552   -1.9638   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999   -3.0790   -0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2307   -2.2089    0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0653    0.8184   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    2.9240    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4778    3.2540   -0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168    2.5220    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9783    1.7093    0.3027 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  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  2  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
M  END