HMDB0000746
     RDKit          3D
Hydroxyisocaproic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.8265    1.4918    0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8755    0.3343    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848   -0.9091   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3702    0.6011   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699   -0.5250   -0.3475 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8699   -1.7351   -0.7598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9610   -0.5615    1.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -1.6339    1.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5130    0.5632    1.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373    1.2774    0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737    2.4687    0.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1086    1.5023   -0.9372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5924    0.2136    1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978   -0.8124   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -1.1466   -1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -1.7960    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305    1.5169   -0.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0794    0.6896   -1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2143   -0.2692   -1.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -2.5096   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595    1.2396    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  6
  6 20  1  0
  9 21  1  0
M  END