HMDB0030025
     RDKit          3D
1-Mercapto-2-propanone
 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.2056    0.7364   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -0.0108    0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    0.1689    1.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -1.0321   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0518   -0.1408   -0.6103 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    1.2953    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    1.4141   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6301    0.0506   -1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221   -1.4587   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -1.8330    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3679    0.8100    0.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
M  END