C6H14O
APtclcactv08041422483D 0   0.00000     0.00000
 
 21 20  0  0  0  0  0  0  0  0999 V2000
   -0.8674   -0.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0636    0.8264   -1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0636    0.8264    1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8894   -1.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4534   -0.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889    0.4045   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   -0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    1.6376   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    0.2128   -2.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    1.2424   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0711    1.2424    1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    0.2128    2.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    1.6376    1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -1.7872   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -1.7872    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969   -0.7576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980    1.0272   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980    1.0272    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -0.9120    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9434   -0.9120   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    0.4619   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
$$$$