HMDB0032073
     RDKit          3D
o-Tolyl acetate
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.4584    0.8201    0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687    0.1325    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061   -0.7957   -0.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9955    0.4177    0.7133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -0.1804    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6699   -1.2725    1.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -1.8430    1.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7423   -1.3274    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170   -0.2192   -0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663    0.3346   -0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562    1.5197   -1.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4598    1.3732    1.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358    1.5174   -0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455    0.0333    0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023   -1.6695    1.9897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2259   -2.6970    1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173   -1.7826   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908    0.1787   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    2.2862   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4223    1.1564   -2.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    2.0177   -0.7611 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
  9 10  2  0
 10 11  1  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END