HMDB0040413
     RDKit          3D
Ethyl 3-(methylthio)propanoate
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.2316    1.0279    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.2047    1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3102   -0.4565    0.8839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7240   -0.6079   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4894   -0.5079   -1.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961   -0.8736   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3169    0.4331   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0768    0.2283   -1.4264 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0225   -0.1667    0.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680    1.7225    1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.5981   -0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2194    0.8478    0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096   -1.0758    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114   -0.2871    2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -1.6376   -1.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -1.2498    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    1.2002   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7922   -1.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512    0.2924    0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0688    0.1834    0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0385   -1.2582    0.2269 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
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END