HMDB0006007
     RDKit          3D
Isopentanol
 18 17  0  0  0  0  0  0  0  0999 V2000
   -0.9778   -1.2669    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418    0.2037    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    1.0443   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6911    0.4900   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154   -0.3813    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966   -0.2095   -0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3966   -1.7291   -0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0498   -1.4125   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7541   -1.8271    1.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5656    0.4061    1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    1.2731   -1.3567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6863    0.4512   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105    1.9991    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865    0.2485   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266    1.5704   -0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625   -0.1070    1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -1.4328    0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1296    0.6798   -0.5696 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
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
M  END