SMILES:c1(c(cc(cc1OC)CC=C)OC)O	

FORMULA: C11H14O3
MASS: 194.2271
EXACT MASS: 194.0942943
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4177     0.0000 
   C   3    1.4387     2.4598     0.0000 
   C   4    2.4768     1.4312     2.8454     0.0000 
   C   5    2.4895     2.8463     1.4312     2.4598     0.0000 
   C   6    2.8531     2.4562     2.4581     1.4112     1.4152     0.0000 
   C   7    5.1678     4.9502     4.2863     3.7791     2.8551     2.4939 
   C   8    6.5663     6.2311     5.7193     4.9499     4.2881     3.8017 
   O   9    1.4237     2.4721     2.4812     3.7831     3.7893     4.2768 
   O  10    2.4617     1.4422     3.7750     2.4936     4.2885     3.7780 
   O  11    2.4914     3.7780     1.4410     4.2864     2.4858     3.7751 
   C  12    4.2992     3.7779     3.7801     2.4681     2.4719     1.4461 
   C  13    3.7780     2.4914     4.9512     2.8775     5.1566     4.2887 
   C  14    3.8175     4.9643     2.5045     5.1643     2.8811     4.2963 

              C   7      C   8      O   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4330     0.0000 
   O   9    6.5572     7.9680     0.0000 
   O  10    6.2451     7.4435     2.8445     0.0000 
   O  11    5.1540     6.5550     2.8707     4.9531     0.0000 
   C  12    1.4389     2.4818     5.7229     4.9618     4.9577     0.0000 
   C  13    6.5664     7.5793     4.2858     1.4413     6.2411     5.1621 
   C  14    4.9507     6.2327     4.3199     6.2518     1.4492     5.1667 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    7.4557     0.0000 



ATOMIC CHARGES
   C   1    0.2627185076
   C   2    0.1801578418
   C   3    0.1801578418
   C   4    0.0365009643
   C   5    0.0365009643
   C   6   -0.0115650590
   C   7   -0.0214237281
   C   8   -0.0045584401
   O   9   -0.2800504403
   O  10   -0.4680980767
   O  11   -0.4680980767
   C  12    0.0525060197
   C  13    0.2526258406
   C  14    0.2526258406


BOND ANGLES
   4    6    5  Car  Car  Car    120.990
   6    5    3  Car  Car  Car    119.438
   5    6    4  Car  Car  Car    120.990
   6    4    2  Car  Car  Car    119.572


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    9    179.974
  10    2    1    3    179.974
  10    2    1    9      0.026
   5    3    1    2      0.026
   5    3    1    9    179.974
  11    3    1    2    179.974
  11    3    1    9      0.026
   6    4    2    1      0.026
   6    4    2   10    179.974
   6    5    3    1      0.026
   6    5    3   11    179.974
  12    6    5    3    179.974
   4    6    5    3      0.026
   8    7   12    6    179.974
  13   10    2    1    179.974
  13   10    2    4      0.026
  14   11    3    1    179.974
  14   11    3    5      0.026
   7   12    6    5      0.026
   7   12    6    4    179.974
   5    6    4    2      0.026
  12    6    4    2    179.974