SMILES:c1(occc1)COC(=O)C	

FORMULA: C7H8O3
MASS: 140.1366
EXACT MASS: 140.0473441
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.6988     0.0000 
   C   3    1.8314     2.4001     0.0000 
   C   4    0.6875     1.2057     2.0714     0.0000 
   C   5    1.1917     0.6875     3.0098     1.3800     0.0000 
   C   6    1.3830     1.2057     3.1703     1.2000     0.6958     0.0000 
   O   7    2.0848     2.5022     0.7000     2.4991     3.1716     3.4678 
   O   8    1.2000     1.8361     0.6905     1.3809     2.3917     2.4954 
   C   9    0.6925     1.2001     1.2000     1.1949     1.8232     2.0755 
   C  10    2.4000     3.0228     0.6946     2.4931     3.5918     3.6627 

              O   7      O   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   O   8    1.2063     0.0000 
   C   9    1.3923     0.6946     0.0000 
   C  10    1.2052     1.2000     1.8353     0.0000 



ATOMIC CHARGES
   C   1    0.1670504300
   O   2   -0.4509459548
   C   3    0.3179730002
   C   4    0.0400170341
   C   5    0.1792988420
   C   6    0.0435570611
   O   7   -0.2500774976
   O   8   -0.4400626995
   C   9    0.2719813926
   C  10    0.1212083918


BOND ANGLES
   6    5    2  Car  Car   O2    121.288
   5    2    1  Car   O2  Car    118.551
   2    5    6   O2  Car  Car    121.288
   5    6    4  Car  Car  Car     89.317


TORSION ANGLES
   5    2    1    4      0.026
   5    2    1    9    179.974
   7    3    8    9      0.026
  10    3    8    9    179.974
   6    4    1    2      0.026
   6    4    1    9    179.974
   6    5    2    1      0.026
   5    6    4    1      0.026
   3    8    9    1    179.974
   8    9    1    2    179.974
   8    9    1    4      0.026
   2    5    6    4      0.026