HMDB0059889
     RDKit          3D
Isohexanol
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.0870    0.9382    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7561    0.5636    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183    0.1666   -1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2088   -0.5857    0.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0809   -1.1538    0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604   -0.2624    0.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    0.8349   -0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9474    0.5356    0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1334    0.5327    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1790    2.0437    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    1.4517    0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    0.9689   -1.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2222   -0.2628   -1.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8776   -0.6640   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -0.3671    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667   -1.4102    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087   -2.0185    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9941   -1.6191   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1357   -0.8162   -0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    0.0455    1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8845    1.0782   -0.9097 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
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
M  END