HMDB0006006
     RDKit          3D
Isobutanol
 15 14  0  0  0  0  0  0  0  0999 V2000
   -0.4973    1.3659   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0508   -0.0452   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -1.0532   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0547   -0.4496    0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956    0.3330    0.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3965    1.7675    0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    2.0557   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741    1.4172   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3826   -0.1396   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413   -0.5359   -0.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -1.8617   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1996   -1.5497    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7423   -0.4881    1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3602   -1.4850    0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2891    0.6686   -0.4251 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
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
M  END