HMDB0031716
     RDKit          3D
3-(Methylthio)-1-propanol
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.7029    0.9765   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    0.9215   -0.5516 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3725   -0.7719   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0775   -0.9535   -0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9932   -0.0645    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057    1.2897   -0.0390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113    1.0905    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2201    1.7525   -0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1479    0.0005   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -1.0600    0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9702   -1.4806   -0.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3468   -2.0013   -0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -0.7954   -1.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614   -0.3536    1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0270   -0.2427   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3499    1.6923   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
M  END