SMILES:c1ccc(cc1C(=O)O)C(=O)N	

FORMULA: C8H7NO3
MASS: 165.1461
EXACT MASS: 165.0425931
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   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 
   C   7    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 
   O   8    2.1805     2.8595     2.9783     2.4793     1.6488     1.4290 
   O   9    1.6481     2.4755     2.9768     2.8616     2.1816     1.4290 
   C  10    2.4770     2.1854     1.4316     0.8251     1.4345     2.1864 
   O  11    2.9774     2.4778     1.6523     1.4290     2.1885     2.8616 
   N  12    2.9757     2.8602     2.1853     1.4290     1.6541     2.4782 

              C   7      O   8      O   9      C  10      O  11      N  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8251     0.0000 
   O   9    0.8250     1.4290     0.0000 
   C  10    2.8622     2.9796     3.6001     0.0000 
   O  11    3.6003     3.7855     4.2906     0.8250     0.0000 
   N  12    2.9790     2.8634     3.7849     0.8250     1.4290     0.0000 




ATOMIC CHARGES
   C   1    0.0065801325
   C   2    0.0003582109
   C   3    0.0046231945
   C   4    0.0568672374
   C   5    0.0111939270
   C   6    0.0799183436
   C   7    0.3877540357
   O   8   -0.2405521866
   O   9   -0.2405521866
   C  10    0.2841710830
   O  11   -0.2666667408
   N  12   -0.0836950506


BOND ANGLES
   7    6    1  Cac  Car  Car    119.928
   6    1    2  Car  Car  Car    120.178
   1    6    7  Car  Car  Cac    119.928
   6    7    8  Car  Cac O.co2    119.999
   6    7    9  Car  Cac O.co2    120.005
   9    7    8 O.co2  Cac O.co2    119.996
   8    7    9 O.co2  Cac O.co2    119.996
  10    4    5   C2  Car  Car    120.102
   4    5    6  Car  Car  Car    119.956
   5    4   10  Car  Car   C2    120.102
   4   10   11  Car   C2   O2    119.992
   4   10   12  Car   C2  Nam    120.002
  12   10   11  Nam   C2   O2    120.006
  11   10   12   O2   C2  Nam    120.006


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