C5H12O
APtclcactv08041422473D 0   0.00000     0.00000
 
 18 17  0  0  0  0  0  0  0  0999 V2000
   -0.4078   -0.0000    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127   -1.2492   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4127    1.2492   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6521    0.0000    0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7636   -0.0000    0.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9878    0.0000    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738   -1.2492   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092   -2.1392   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061   -1.2492   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061    1.2492   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4092    2.1392   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    1.2492   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486   -0.8900    1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6486    0.8900    1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455    0.0000    0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340   -0.8900   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    0.8900   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.0000    0.7749 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
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 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
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$