HMDB0035171
     RDKit          3D
2-Mercapto-3-pentanone
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.5957   -0.3239    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    0.3443   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267   -0.4507    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -1.5317    0.6595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349    0.1826   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3415   -0.6879   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095    1.7740    0.4774 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    0.1750   -0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -0.2639    1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5778   -1.3940    0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787    1.3524    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    0.4668   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9856    0.3419   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0661   -1.7779   -0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084   -0.3450    0.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514   -0.5035   -0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0306    2.6415   -0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 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