SMILES:c1c(cc(c(c1C(=O)OC)C)[N+](=O)[O-])O	

FORMULA: C9H9NO5
MASS: 211.1715
EXACT MASS: 211.0480724
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    2.4729     2.9766     2.8621     2.1868     1.4280     1.6500 
   C  11    2.1808     2.4775     2.1880     1.4339     0.8250     1.4283 
   O  12    1.4312     0.8250     1.4296     2.1853     2.4775     2.1835 
   N  13    2.4770     2.1854     1.4316     0.8251     1.4345     2.1864 
   O  14    2.9776     2.4787     1.6532     1.4285     2.1876     2.8612 
   O  15    2.9770     2.8620     2.1874     1.4308     1.6549     2.4790 

              C   7      O   8      O   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8251     0.0000 
   O   9    0.8250     1.4290     0.0000 
   C  10    1.4290     0.8250     2.1828     0.0000 
   C  11    1.6486     1.4271     2.4736     0.8232     0.0000 
   O  12    2.8578     3.5966     2.9733     3.7820     3.3025     0.0000 
   N  13    2.8622     2.9796     3.6001     2.4803     1.6571     2.8612 
   O  14    3.5996     3.7843     4.2901     3.3037     2.4805     2.9800 
   O  15    2.9792     2.8630     3.7852     2.1878     1.4359     3.6009 

              N  13      O  14      O  15
              ---------------------------------
   N  13    0.0000 
   O  14    0.8234     0.0000 
   O  15    0.8273     1.4289     0.0000 



ATOMIC CHARGES
   C   1    0.0485596505
   C   2    0.2020633862
   C   3    0.1168493000
   C   4    0.2893652457
   C   5    0.0539012359
   C   6    0.0807412895
   C   7    0.3413134424
   O   8   -0.4413314357
   O   9   -0.2448994559
   C  10    0.2559504525
   C  11    0.0376873508
   O  12   -0.2863511659
   N  13    0.0806932465
   O  14   -0.5760145504
   O  15    0.0414720079


BOND ANGLES
   9    7    8   O2   C2   O3    119.996
   7    8   10   C2   O3   C3    119.996
   8    7    9   O3   C2   O2    119.996
  13    4    5  Ntr  Car  Car    120.102
   4    5   11  Car  Car   C3    120.024
   4    5    6  Car  Car  Car    119.956
  12    2    3   O3  Car  Car    120.035
   2    3    4  Car  Car  Car    120.000
   6    5   11  Car  Car   C3    120.020
   5    4   13  Car  Car  Ntr    120.102
   4   13   14  Car  Ntr   O-    120.124
   4   13   15  Car  Ntr   O2    119.969
  11    5    6   C3  Car  Car    120.020
   5    6    1  Car  Car  Car    120.135
   5    6    7  Car  Car   C2    119.937
   3    2   12  Car  Car   O3    120.035
   7    6    1   C2  Car  Car    119.928
   6    1    2  Car  Car  Car    120.178
   1    6    7  Car  Car   C2    119.928
   6    7    8  Car   C2   O3    119.999
   6    7    9  Car   C2   O2    120.005
  15   13   14   O2  Ntr   O-    119.907
  14   13   15   O-  Ntr   O2    119.907


TORSION ANGLES
   2    3    4    5      0.026
   2    3    4   13    179.974
   9    7    8   10    179.974
   6    7    8   10      0.026
   3    4    5   11    179.974
   3    4    5    6      0.026
  13    4    5   11      0.026
  13    4    5    6    179.974
  12    2    3    4    179.974
   1    2    3    4      0.026
   3    4   13   14      0.026
   3    4   13   15    179.974
   5    4   13   14    179.974
   5    4   13   15      0.026
   4    5    6    1      0.026
   4    5    6    7    179.974
  11    5    6    1    179.974
  11    5    6    7      0.026
   5    6    1    2      0.026
   7    6    1    2    179.974
   6    1    2    3      0.026
   6    1    2   12    179.974
   5    6    7    8      0.026
   5    6    7    9    179.974
   1    6    7    8    179.974
   1    6    7    9      0.026