SMILES:c1(c(cccc1OC)OC)O	

FORMULA: C8H10O3
MASS: 154.1632
EXACT MASS: 154.0629942
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8463     0.0000 
   C   3    1.4658     0.8463     0.0000 
   C   4    1.6926     1.4658     0.8463     0.0000 
   C   5    1.4658     1.6925     1.4658     0.8463     0.0000 
   C   6    0.8463     1.4658     1.6926     1.4658     0.8463     0.0000 
   O   7    1.4657     2.2389     2.5387     2.2389     1.4657     0.8462 
   C   8    2.2389     2.9314     3.0512     2.5387     1.6924     1.4656 
   O   9    1.4658     0.8463     1.4658     2.2390     2.5388     2.2390 
   C  10    2.2390     1.4658     1.6925     2.5388     3.0512     2.9316 
   O  11    0.8462     1.4657     2.2389     2.5387     2.2389     1.4657 

              O   7      C   8      O   9      C  10      O  11
              -------------------------------------------------------
   O   7    0.0000 
   C   8    0.8462     0.0000 
   O   9    2.9315     3.6887     0.0000 
   C  10    3.6887     4.3972     0.8463     0.0000 
   O  11    1.6925     2.5387     1.6925     2.5387     0.0000 



ATOMIC CHARGES
   C   1    0.2627389977
   C   2    0.1804618472
   C   3    0.0404352706
   C   4    0.0064404285
   C   5    0.0404352706
   C   6    0.1804618472
   O   7   -0.4680877866
   C   8    0.2526260340
   O   9   -0.4680877866
   C  10    0.2526260340
   O  11   -0.2800501567


BOND ANGLES
   6    1    2  Car  Car  Car    119.998
   1    2    3  Car  Car  Car    120.005
   1    2    9  Car  Car   O3    119.998
  11    1    2   O3  Car  Car    120.001
   1    2    3  Car  Car  Car    120.005
   1    2    9  Car  Car   O3    119.998
   9    2    3   O3  Car  Car    119.998
   2    3    4  Car  Car  Car    119.998
   2    1    6  Car  Car  Car    119.998
   1    6    7  Car  Car   O3    120.001
  11    1    6   O3  Car  Car    120.001
   1    6    7  Car  Car   O3    120.001
   3    2    9  Car  Car   O3    119.998
   2    9   10  Car   O3   C3    119.998
   2    1   11  Car  Car   O3    120.001
   6    1   11  Car  Car   O3    120.001


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