SMILES:c1c[n+](cc(c1)OC)[O-]	

FORMULA: C6H7NO2
MASS: 125.1253
EXACT MASS: 125.0476785
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   N   3    1.4310     0.8255     0.0000 
   C   4    1.6520     1.4312     0.8271     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4326     0.8241     0.0000 
   O   7    2.1851     1.4294     0.8250     1.4308     2.1886     2.4780 
   O   8    2.1808     2.4775     2.1880     1.4339     0.8250     1.4283 
   C   9    2.8562     2.9772     2.4801     1.6530     1.4289     2.1820 

              O   7      O   8      C   9
              ---------------------------------
   O   7    0.0000 
   O   8    2.8647     0.0000 
   C   9    2.9823     0.8250     0.0000 



ATOMIC CHARGES
   C   1    0.0803004241
   C   2    0.3019330776
   N   3   -0.1492438577
   C   4    0.3387852116
   C   5    0.2096594263
   C   6    0.0497123462
   O   7   -0.6186162461
   O   8   -0.4653030297
   C   9    0.2527726478


BOND ANGLES
   8    5    6   O3  Car  Car    120.020
   5    6    1  Car  Car  Car    120.135
   4    3    7  Car  Nar   O-    120.001
   7    3    4   O-  Nar  Car    120.001
   3    4    5  Nar  Car  Car    119.794
   6    5    8  Car  Car   O3    120.020
   5    8    9  Car   O3   C3    119.999


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