HMDB0032075
     RDKit          3D
p-Tolyl acetate
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2070   -0.0588   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    0.0154   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1590    0.3929   -1.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8936   -0.3128    0.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4995   -0.2279    0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319    0.9504    0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4983    1.0972    0.8609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    0.0095    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7194    0.1935    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6252   -1.1800    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2630   -1.2924    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -0.6291   -1.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5809    0.9981   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353   -0.3783    0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4393    1.7981    1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828    2.0393    1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1832    0.1597    1.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8658    1.2280   -0.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1850   -0.5533   -0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2364   -2.0194   -0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319   -2.2302   -0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
M  END