SMILES:c12c(C(=O)O)cccc1[nH]nc2	

FORMULA: C8H6N2O2
MASS: 162.1454
EXACT MASS: 162.0429274
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    2.4679     0.0000 
   C   3    1.5153     3.9661     0.0000 
   C   4    2.6466     4.7839     1.5458     0.0000 
   N   5    2.5013     1.5156     3.9304     5.1410     0.0000 
   C   6    1.5917     2.4706     2.6865     4.1044     1.5265     0.0000 
   C   7    1.5265     1.5088     2.7967     3.3432     2.4667     2.5013 
   O   8    4.0634     6.3119     2.6869     1.5435     6.5594     5.3734 
   O   9    3.0460     4.4740     2.6654     1.5480     5.2713     4.6377 
   C  10    2.6417     5.0417     1.5225     2.6507     4.5784     3.0842 
   C  11    3.0842     5.0431     2.6906     4.1071     4.1275     2.6417 
   C  12    2.6828     3.9677     3.0875     4.6333     2.7962     1.5132 

              C   7      O   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    4.8854     0.0000 
   O   9    2.9722     2.6795     0.0000 
   C  10    4.1275     3.0875     4.0565     0.0000 
   C  11    4.5784     4.6792     5.3558     1.5917     0.0000 
   C  12    3.9274     5.5845     5.5510     2.6869     1.5205     0.0000 




ATOMIC CHARGES
   C   1    0.0467014670
   N   2   -0.1463505285
   C   3    0.0828337792
   C   4    0.3878510303
   N   5   -0.1479003617
   C   6    0.1045991703
   C   7    0.1238623426
   O   8   -0.2405507807
   O   9   -0.2405507807
   C  10    0.0067269357
   C  11    0.0018149628
   C  12    0.0209627637


BOND ANGLES
   5    2    7  Nar  Nar  Car    109.292
   2    7    1  Nar  Car  Car    108.791
  10   11   12  Car  Car  Car    119.374
  11   12    6  Car  Car  Car    121.098
   7    2    5  Car  Nar  Nar    109.292
   2    5    6  Nar  Nar  Car    108.609
  12   11   10  Car  Car  Car    119.374
  11   10    3  Car  Car  Car    119.511


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