HMDB0040410
     RDKit          3D
Ethyl 3-mercaptopropanoic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
    3.3248    0.6383    0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186   -0.2263    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    0.4985    0.2562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635   -0.2744    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880   -1.5147   -0.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021    0.3577    0.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -0.7158   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3214   -0.0924    0.0554 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.0130    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2865    1.5260   -0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4368    0.9509    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804   -1.0292    0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934   -0.7581   -0.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261    0.8978    1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    1.1183   -0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513   -1.4860    0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4413   -1.1866   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3792    1.2832    0.2696 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
M  END