HMDB0059819
     RDKit          3D
o-Ethyltoluene
 21 21  0  0  0  0  0  0  0  0999 V2000
    2.6222   -0.6440   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560    0.4007   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1941   -0.1470   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037   -1.4945   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983   -1.9704   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -1.0414    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    0.3116    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8613    0.7421    0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    2.2157    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7603   -1.0042   -1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5973   -0.1288    0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807   -1.4682    0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    1.0441    0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6949    1.0550   -0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117   -2.1899   -0.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5775   -3.0314   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4646   -1.4071    0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0052    1.0248    0.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145    2.4445    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844    2.5490   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4371    2.7393    0.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END