C3H6O2
APtclcactv08041422413D 0   0.00000     0.00000
 
 11 10  0  0  0  0  0  0  0  0999 V2000
    0.4824    0.0264   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7573   -0.8305   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9971    0.0660    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    1.2307   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954   -0.5481    0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7651   -1.4587   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7628   -1.4609    0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892    0.6942    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9915    0.6964   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8937   -0.5538    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0426    0.0009 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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$