C9H8O4
APtclcactv11212401413D 0   0.00000     0.00000
 
 21 21  0  0  0  0  0  0  0  0999 V2000
    2.2393   -0.3791    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8424    1.9231   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709    0.8456    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751    1.9935   -0.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4838    0.4953   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8910   -0.4647   -0.0939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    0.6991   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9633   -1.8425   -0.4185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6531    0.8889    1.3406 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8857   -2.8883    0.2267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2090   -1.7720   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0185    0.6853    0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    0.6285   -0.7886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -3.7219    0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7867   -1.2719    0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    2.8224   -0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    0.9108    0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781    2.9492   -0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7360   -0.5623   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763    1.0637    0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6988    0.8471   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  1  6  1  0  0  0  0
  6 11  1  0  0  0  0
  2  7  1  0  0  0  0
  7 13  1  0  0  0  0
  1  3  2  0  0  0  0
 10 11  1  0  0  0  0
  8 11  2  0  0  0  0
  2  4  2  0  0  0  0
 12 13  1  0  0  0  0
  5 12  1  0  0  0  0
  9 12  2  0  0  0  0
  3  4  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
 10 14  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
$$$$