HMDB0032376
     RDKit          3D
4-Mercapto-2-pentanone
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.6200    0.0270   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1723   -0.2950   -0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8597   -1.4344   -0.4782 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    0.7612    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2323    0.3373   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -0.7484    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057   -0.0757   -1.7683 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645   -0.5256    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1644   -0.2395   -1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078    1.0967    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    1.2325    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528    1.5774   -0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571    1.2382    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9400   -0.8552    1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6425   -0.5358    1.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7603   -1.6833    0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901    0.1225   -1.9396 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
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
M  END