SMILES:c1(onc(c1)CC)C(=O)O	

FORMULA: C6H7NO3
MASS: 141.1247
EXACT MASS: 141.0425931
INTERATOMIC DISTANCES

              C   1      O   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    1.2526     0.0000 
   C   3    1.2492     2.0208     0.0000 
   N   4    2.0239     1.2491     2.0194     0.0000 
   C   5    1.2500     2.2305     2.2286     3.2359     0.0000 
   C   6    2.0239     2.0228     1.2478     1.2500     3.2359     0.0000 
   O   7    2.1634     2.6134     3.3441     3.8270     1.2471     4.1646 
   O   8    2.1654     3.3493     2.6136     4.1663     1.2507     3.8275 
   C   9    3.2363     3.2343     2.2277     2.2268     4.4023     1.2502 
   C  10    4.1627     3.8220     3.3413     2.6073     5.3924     2.1617 

              O   7      O   8      C   9      C  10
              --------------------------------------------
   O   7    0.0000 
   O   8    2.1625     0.0000 
   C   9    5.3946     4.8204     0.0000 
   C  10    6.2549     5.9546     1.2459     0.0000 



ATOMIC CHARGES
   C   1    0.2556798508
   O   2   -0.3469038962
   C   3    0.0650470624
   N   4   -0.0811058315
   C   5    0.4243056121
   C   6    0.1009005139
   O   7   -0.2370029025
   O   8   -0.2370029025
   C   9    0.0492772455
   C  10    0.0068052481


BOND ANGLES
   6    4    2  Car  Nar   O2    108.072
   4    2    1  Nar   O2  Car    107.997
   2    4    6   O2  Nar  Car    108.072
   4    6    3  Nar  Car  Car    107.889


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