HMDB0006900
     RDKit          3D
(S)-2-Aceto-2-hydroxybutanoic acid
 20 19  0  0  0  0  0  0  0  0999 V2000
    2.1067   -1.0442    0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -0.0341    0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274   -0.0570   -0.1039 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2702    0.2109   -1.3984 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734    1.0072    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615    2.1309   -0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.9003    1.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8369   -1.3463   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2655   -1.7334    1.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -2.1198   -1.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2816   -1.1522   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080   -2.0311    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803   -0.6781    0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707   -0.3062    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139    0.9633    0.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    1.0661   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0108    3.0834   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1247    1.8954   -1.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628    2.1888   -0.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194   -2.9437   -1.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  4 16  1  0
  6 17  1  0
  6 18  1  0
  6 19  1  0
 10 20  1  0
M  END