SMILES:c1(cc(ccc1)OCC)O	

FORMULA: C8H10O2
MASS: 138.1638
EXACT MASS: 138.0680796
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8462     0.0000 
   C   3    1.4657     0.8463     0.0000 
   C   4    1.6924     1.4657     0.8462     0.0000 
   C   5    1.4657     1.6925     1.4658     0.8463     0.0000 
   C   6    0.8462     1.4656     1.6924     1.4657     0.8462     0.0000 
   O   7    2.2389     1.4658     0.8463     1.4657     2.2390     2.5387 
   C   8    2.9315     2.2390     1.4658     1.6925     2.5388     3.0512 
   C   9    3.6886     2.9315     2.2389     2.5387     3.3850     3.8779 
   O  10    0.8463     1.4657     2.2389     2.5387     2.2389     1.4657 

              O   7      C   8      C   9      O  10
              --------------------------------------------
   O   7    0.0000 
   C   8    0.8463     0.0000 
   C   9    1.4657     0.8462     0.0000 
   O  10    2.9315     3.6887     4.3972     0.0000 



ATOMIC CHARGES
   C   1    0.1987707833
   C   2    0.0788712581
   C   3    0.1417474956
   C   4    0.0371078312
   C   5    0.0063938393
   C   6    0.0422354245
   O   7   -0.4753556662
   C   8    0.2055273533
   C   9    0.0511645762
   O  10   -0.2864628953


BOND ANGLES
   6    1    2  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
  10    1    2   O3  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   7    3    4   O3  Car  Car    119.998
   3    4    5  Car  Car  Car    120.004
   2    1    6  Car  Car  Car    120.001
  10    1    6   O3  Car  Car    119.998
   4    3    7  Car  Car   O3    119.998
   3    7    8  Car   O3   C3    120.005
   2    1   10  Car  Car   O3    120.001
   6    1   10  Car  Car   O3    119.998


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