SMILES:C(=O)(Cc1ccc(cc1)O)O	

FORMULA: C8H8O3
MASS: 152.1473
EXACT MASS: 152.0473441
INTERATOMIC DISTANCES

              C   1      O   2      C   3      C   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.8250     0.0000 
   C   3    0.8208     1.4235     0.0000 
   C   4    1.4251     1.6455     0.8218     0.0000 
   C   5    2.9697     2.8502     2.4717     1.6500     0.0000 
   O   6    0.8239     1.4290     1.4252     2.1777     3.7748     0.0000 
   C   7    1.6443     1.4209     1.4234     0.8251     1.4294     2.4681 
   C   8    2.1846     2.4756     1.4334     0.8301     1.4286     2.8585 
   C   9    2.4668     2.1704     2.1767     1.4286     0.8301     3.2906 
   C  10    2.8544     2.9688     2.1818     1.4294     0.8251     3.5919 
   O  11    3.7802     3.5924     3.3014     2.4796     0.8296     4.5921 

              C   7      C   8      C   9      C  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.4335     0.0000 
   C   9    0.8225     1.6545     0.0000 
   C  10    1.6508     0.8225     1.4335     0.0000 
   O  11    2.1876     2.1857     1.4377     1.4327     0.0000 



ATOMIC CHARGES
   C   1    0.3692189817
   O   2   -0.2452766575
   C   3    0.1403598993
   C   4   -0.0107450245
   C   5    0.1957255411
   O   6   -0.2452766575
   C   7   -0.0004364193
   C   8   -0.0004364193
   C   9    0.0417186206
   C  10    0.0417186206
   O  11   -0.2865704853


BOND ANGLES
   5    9    7  Car  Car  Car    119.748
   9    7    4  Car  Car  Car    120.244
   7    9    5  Car  Car  Car    119.748
   9    5   10  Car  Car  Car    120.008


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