HMDB0013733
     RDKit          3D
1,2,4-Trimethylbenzene
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.0800   -0.6910   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -0.2063   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231    1.1295    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1392    1.6263    0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9501    0.7776    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239    1.2850    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019   -0.5586   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543   -1.4968   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -1.0515   -0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017   -0.1025   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850   -1.7403   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -0.5596    0.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2341    1.8188    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0681    2.6835    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7810    1.5303   -0.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2697    2.2752    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.6563    0.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8295   -2.2418    0.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -2.0580   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8018   -0.9727   -0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7572   -2.1033   -0.3822 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
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
M  END