HMDB0031982
     RDKit          3D
3-Mercapto-2-butanone
 14 13  0  0  0  0  0  0  0  0999 V2000
    1.8723   -0.2215    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6364    0.3373   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6855    0.7093   -1.7316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6492    0.4656    0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0467   -0.9550    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722    1.0733   -0.9093 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040   -1.3149   -0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548    0.2207   -0.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987   -0.0679    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4751    1.1104    1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925   -0.9059    0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433   -1.3910    1.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146   -1.5293   -0.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0581    2.4689   -0.9238 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
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
M  END