HMDB0041015
     RDKit          3D
4-Mercapto-2-butanone
 14 13  0  0  0  0  0  0  0  0999 V2000
    2.0038    0.6370    0.6262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771    0.4906    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008    1.4312    0.3916 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0106   -0.7632   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -0.6323   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2835   -0.2327    0.9854 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    0.9183   -0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.4386    1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   -0.2714    1.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0755   -1.5258    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -1.0977   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6069    0.1780   -1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389   -1.5977   -0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110    1.0270    0.8496 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
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
M  END