HMDB0245993
     RDKit          3D
3,3-Dimethyl-2-butanol
 21 20  0  0  0  0  0  0  0  0999 V2000
    1.9058    0.1582   -0.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9155   -0.4454    0.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307   -0.1417    1.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983   -0.0261    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116    1.4605    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8068   -0.3964   -1.3529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117   -0.7075    0.9528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269    1.0105   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246    0.5336   -0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012   -0.5739   -1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964   -1.5492    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493   -0.7107    1.8122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    1.9209   -0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    1.8892    1.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8090    1.6287    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039   -1.3717   -1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218    0.3794   -1.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -0.4757   -1.5203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -0.2807    1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5162   -0.4939    0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263   -1.8082    0.9835 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
  4  6  1  0
  4  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  5 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
M  END