HMDB0032409
     RDKit          3D
Methyl 3-mercaptobutanoate
 18 17  0  0  0  0  0  0  0  0999 V2000
    3.4669   -0.1646   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2272    0.4556   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0248   -0.2337    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0322   -1.4961    0.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    0.5680    0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.2572    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.7108    0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884   -1.2039   -1.0773 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9659   -0.2744    0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3981   -1.1411   -0.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1598    0.4878   -0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601    1.1269    1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    1.2629   -0.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123   -0.9197    1.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488    1.2984    1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    1.4385   -0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    0.1806    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0384   -1.8388   -0.8885 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
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
M  END