HMDB0002176
     RDKit          3D
Ethylmethylacetic acid
 17 16  0  0  0  0  0  0  0  0999 V2000
    1.7818   -0.6211    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    0.5489    0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    0.1752   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588    1.4535   -0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892   -0.7934    0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666   -0.5540    0.6308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6541   -2.0300    0.5968 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8698   -0.3950    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7034   -0.8270    1.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397   -1.5308   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456    1.2751   -0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5978    1.1009    1.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1408   -0.2781   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3296    1.6441   -1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445    1.3819   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506    2.3330   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381   -2.8832    0.1038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  7 17  1  0
M  END