SMILES:O=Cc1cc(C=O)ccc1	

FORMULA: C8H6O2
MASS: 134.1320
EXACT MASS: 134.0367794
INTERATOMIC DISTANCES

              O   1      O   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    6.4917     0.0000 
   C   3    1.2471     5.4485     0.0000 
   C   4    5.4485     1.2471     4.3333     0.0000 
   C   5    3.3014     3.3096     2.1625     2.1708     0.0000 
   C   6    4.3250     2.1667     3.3054     1.2543     1.2507     0.0000 
   C   7    2.1625     4.3292     1.2507     3.3096     1.2471     2.1625 
   C   8    3.7449     3.7521     3.3055     3.3109     2.5000     2.1654 
   C   9    4.5020     2.5014     3.7484     2.1676     2.1654     1.2500 
   C  10    2.4978     4.5060     2.1654     3.7521     2.1634     2.4978 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.1634     0.0000 
   C   9    2.4978     1.2507     0.0000 
   C  10    1.2500     1.2471     2.1625     0.0000 



ATOMIC CHARGES
   O   1   -0.2831446839
   O   2   -0.2831446839
   C   3    0.2341526811
   C   4    0.2341526811
   C   5    0.0065731292
   C   6    0.0423132345
   C   7    0.0423132345
   C   8    0.0002060186
   C   9    0.0032891944
   C  10    0.0032891944


BOND ANGLES
   9    6    5  Car  Car  Car    119.982
   6    5    7  Car  Car  Car    119.941
   5    6    9  Car  Car  Car    119.982
   6    9    8  Car  Car  Car    119.982


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