SMILES:c12c(OCC2)cccc1C=C	ChemMol.com

FORMULA: C10H10O
MASS: 146.1858
EXACT MASS: 146.0731649
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8208     0.0000 
   O   3    1.4280     0.8254     0.0000 
   C   4    0.8125     1.4181     2.1720     0.0000 
   C   5    1.4218     2.1741     2.8497     0.8250     0.0000 
   C   6    1.4574     2.2770     2.7614     1.3109     0.8248     0.0000 
   C   7    1.6466     1.4250     0.8233     2.4591     2.9613     2.6385 
   C   8    1.4250     1.6445     1.4280     2.1647     2.4591     1.9701 
   C   9    1.6337     1.4125     2.1655     1.4243     2.1781     2.7296 
   C  10    1.4171     0.8192     1.4251     1.6375     2.4625     2.7985 
   C  11    1.4125     1.6358     2.4612     0.8212     1.4243     2.0922 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    2.8375     2.9538     0.0000 
   C  10    2.1746     2.4636     0.8083     0.0000 
   C  11    2.9562     2.8375     0.8250     1.4145     0.0000 



ATOMIC CHARGES
   C   1    0.0155288496
   C   2    0.1346415337
   O   3   -0.4754154516
   C   4   -0.0009493238
   C   5   -0.0002136914
   C   6   -0.0000087528
   C   7    0.2101520096
   C   8    0.0767149537
   C   9    0.0030918558
   C  10    0.0365710617
   C  11   -0.0001130445


BOND ANGLES
   7    3    2   C3   O3  Car    119.611
   3    2    1   O3  Car  Car    120.321
   9   10    2  Car  Car  Car    120.430
  10    2    1  Car  Car  Car    119.566
   2    3    7  Car   O3   C3    119.611
   3    7    8   O3   C3   C3    120.069
   2   10    9  Car  Car  Car    120.430
  10    9   11  Car  Car  Car    120.003


TORSION ANGLES
   3    2    1    4    179.974
   3    2    1    8      0.026
  10    2    1    4      0.026
  10    2    1    8    179.974
   7    3    2    1      0.026
   7    3    2   10    179.974
   5    4    1    2    179.974
   5    4    1    8      0.026
  11    4    1    2      0.026
  11    4    1    8    179.974
   6    5    4    1      0.026
   6    5    4   11    179.974
   3    7    8    1      0.026
   7    8    1    2      0.026
   7    8    1    4    179.974
  10    9   11    4      0.026
   9   10    2    1      0.026
   9   10    2    3    179.974
   9   11    4    1      0.026
   9   11    4    5    179.974
   2    3    7    8      0.026
   2   10    9   11      0.026