C8H9NO2
APtclcactv11250905122D 0   0.00000     0.00000
 
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3521    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    2.9050    0.0000 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
$$$$