HMDB0031717
     RDKit          3D
3-(Methylthio)propyl acetate
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.9724    0.5430   -0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1408    0.5101   -0.6782 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6249   -0.9112    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1124   -0.9799    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901    0.3248    0.9019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7780    0.4105    0.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231    0.3465   -0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    0.4496    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1514    0.2000   -1.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2315    0.7557    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2912   -0.4959   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    1.2957   -1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962   -1.8491    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655   -0.6854    1.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2711   -1.8653    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -0.9833   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    0.3749    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960    1.1350    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142   -0.5111   -0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3591    0.6668    1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4362    1.2687   -0.6198 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  8 19  1  0
  8 20  1  0
  8 21  1  0
M  END