C5H12O
APtclcactv08051423483D 0   0.00000     0.00000
 
 18 17  0  0  0  0  0  0  0  0999 V2000
    1.7941   -0.5274   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5956    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7006   -0.3893   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    0.5617   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047    0.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.1558    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.1558   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304    1.0520    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304    1.0520   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7353   -1.0177   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7353   -1.0177    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    1.1900    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643    1.1900   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2300   -0.8796   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2300   -0.8796    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0491    0.4263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   -0.3075   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  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
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$