HMDB0042032
     RDKit          3D
Thiodiacetic acid
 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.7332    0.4825    1.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1328    0.1382    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304    1.0038   -0.7413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614   -1.1884    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131   -1.0038    0.9539 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1840   -0.0445   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5613    0.1799    0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340   -0.7131    0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299    1.3700    0.8827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524    0.7885   -1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4604   -1.5515   -0.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9885   -1.9231    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195    0.8673   -0.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213   -0.6477   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    2.2418    0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
  9 15  1  0
M  END