SMILES:c1(c(cc(cc1C(=O)OC)F)[N+](=O)[O-])O	

FORMULA: C8H6FNO5
MASS: 215.1353
EXACT MASS: 215.0230005
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    1.4309     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4327     0.8241     0.0000 
   C   7    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 
   O   8    2.1804     2.8595     2.9783     2.4793     1.6488     1.4290 
   O   9    1.6481     2.4755     2.9768     2.8616     2.1816     1.4289 
   C  10    2.4728     2.9766     2.8621     2.1868     1.4280     1.6500 
   O  11    0.8250     1.4303     2.1842     2.4770     2.1804     1.4264 
   F  12    2.4769     2.1854     1.4316     0.8250     1.4345     2.1864 
   N  13    1.4313     0.8250     1.4296     2.1854     2.4775     2.1835 
   O  14    1.6536     1.4287     2.1823     2.8600     2.9764     2.4764 
   O  15    2.1891     1.4325     1.6526     2.4798     2.9814     2.8630 

              C   7      O   8      O   9      C  10      O  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.8250     0.0000 
   O   9    0.8250     1.4289     0.0000 
   C  10    1.4289     0.8250     2.1827     0.0000 
   O  11    1.6459     2.4709     1.4244     2.9711     0.0000 
   F  12    2.8622     2.9796     3.6000     2.4803     3.3020     0.0000 
   N  13    2.8578     3.5966     2.9733     3.7820     1.6516     2.8612 
   O  14    2.9756     3.7817     2.8583     4.1264     1.4339     3.5983 
   O  15    3.6006     4.2920     3.7839     4.3714     2.4809     2.9796 

              N  13      O  14      O  15
              ---------------------------------
   N  13    0.0000 
   O  14    0.8227     0.0000 
   O  15    0.8293     1.4290     0.0000 



ATOMIC CHARGES
   C   1    0.2705987184
   C   2    0.3307617618
   C   3    0.1083041479
   C   4    0.1466922010
   C   5    0.0397389397
   C   6    0.1229088193
   C   7    0.3447544440
   O   8   -0.4412537264
   O   9   -0.2447739232
   C  10    0.2559519140
   O  11   -0.2797659144
   F  12   -0.2039536232
   N  13    0.0843688957
   O  14   -0.5759214857
   O  15    0.0415888309


BOND ANGLES
   9    7    8   O2   C2   O3    119.993
   7    8   10   C2   O3   C3    119.993
   8    7    9   O3   C2   O2    119.993
  12    4    5    F  Car  Car    120.112
   4    5    6  Car  Car  Car    119.963
  13    2    3  Ntr  Car  Car    120.035
   2    3    4  Car  Car  Car    120.004
   2    1   11  Car  Car   O3    119.900
   3    2   13  Car  Car  Ntr    120.035
   2   13   14  Car  Ntr   O-    120.251
   2   13   15  Car  Ntr   O2    119.980
   5    4   12  Car  Car    F    120.112
   7    6    1   C2  Car  Car    119.938
   6    1   11  Car  Car   O3    119.911
   6    1    2  Car  Car  Car    120.188
  11    1    2   O3  Car  Car    119.900
   1    2    3  Car  Car  Car    119.930
   1    2   13  Car  Car  Ntr    120.036
   1    6    7  Car  Car   C2    119.938
   6    7    8  Car   C2   O3    120.010
   6    7    9  Car   C2   O2    119.998
  15   13   14   O2  Ntr   O-    119.769
  14   13   15   O-  Ntr   O2    119.769


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