C8H9NO2
APtclcactv04252422263D 0   0.00000     0.00000
 
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.2055    0.8303    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906   -1.4657   -0.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5485    1.1359    0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332   -1.1585   -0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9799   -0.1617    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2731    0.3568    0.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8656   -1.6522    0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2273   -0.4718    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4650    0.1425   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742    1.1759   -0.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872    0.4441   -0.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171    0.1262   -0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898   -0.7828    0.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074    1.6029    0.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -2.4786   -0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8853    2.1488    0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7472   -1.9314   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3884   -0.6588   -0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0964   -0.8086    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5130    0.7739    0.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 12 13  1  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  1  3  1  0  0  0  0
  3  9  2  0  0  0  0
  4  9  1  0  0  0  0
  2  4  2  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
$$$$