SMILES:c1(cc(c(cc1)F)[N+](=O)[O-])S(=O)(=O)N	ChemMol.com

FORMULA: C6H5FN2O4S
MASS: 220.1783
EXACT MASS: 219.9954059
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   S   7    1.5230     2.6379     4.0294     4.5689     4.0295     2.6379 
   O   8    2.1539     2.2936     3.8129     4.8161     4.7512     3.6464 
   O   9    2.1538     3.6463     4.7511     4.8161     3.8130     2.2936 
   N  10    3.0460     4.0295     5.4912     6.0920     5.4913     4.0295 
   N  11    4.0295     2.6379     1.5230     2.6379     4.0295     4.5690 
   O  12    4.5690     3.0460     2.6379     4.0295     5.2758     5.4913 
   O  13    5.2759     4.0295     2.6380     3.0461     4.5690     5.4913 
   F  14    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 

              S   7      O   8      O   9      N  10      N  11      O  12
              ------------------------------------------------------------------
   S   7    0.0000 
   O   8    1.5230     0.0000 
   O   9    1.5230     3.0460     0.0000 
   N  10    1.5230     2.1539     2.1538     0.0000 
   N  11    5.2758     4.7030     6.1797     6.6386     0.0000 
   O  12    5.4912     4.5189     6.6727     6.6386     1.5230     0.0000 
   O  13    6.6386     6.1932     7.3774     8.0590     1.5230     2.6379 
   F  14    6.0920     6.2795     6.2795     7.6150     3.0460     4.5690 

              O  13      F  14
              ----------------------
   O  13    0.0000 
   F  14    2.6379     0.0000 



ATOMIC CHARGES
   C   1    0.1313087966
   C   2    0.0976656062
   C   3    0.3183157198
   C   4    0.2090308810
   C   5    0.0373663492
   C   6    0.0227307139
   S   7    0.0937031032
   O   8   -0.1502925507
   O   9   -0.1502925507
   N  10    0.0392127895
   N  11    0.0833269005
   O  12    0.0415565249
   O  13   -0.5759472206
   F  14   -0.1976850629


BOND ANGLES
   6    1    2  Car  Car  Car    119.999
   1    2    3  Car  Car  Car    120.000
   7    1    2  So2  Car  Car    120.000
   1    2    3  Car  Car  Car    120.000
  11    3    4  Ntr  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   3    4   14  Car  Car    F    119.999
  14    4    5    F  Car  Car    120.000
   4    5    6  Car  Car  Car    120.000
   2    1    6  Car  Car  Car    119.999
   7    1    6  So2  Car  Car    120.001
   9    7    8   O2  So2   O2    179.974
  10    7    8   N3  So2   O2     90.000
   8    7    9   O2  So2   O2    179.974
  10    7    9   N3  So2   O2     89.998
   8    7   10   O2  So2   N3     90.000
   9    7   10   O2  So2   N3     89.998
   2    1    7  Car  Car  So2    120.000
   1    7    8  Car  So2   O2     90.002
   1    7    9  Car  So2   O2     90.000
   1    7   10  Car  So2   N3    179.974
   6    1    7  Car  Car  So2    120.001
   1    7    8  Car  So2   O2     90.002
   1    7    9  Car  So2   O2     90.000
   1    7   10  Car  So2   N3    179.974
  13   11   12   O-  Ntr   O2    119.999
  12   11   13   O2  Ntr   O-    119.999
   4    3   11  Car  Car  Ntr    119.999
   3   11   12  Car  Ntr   O2    119.999
   3   11   13  Car  Ntr   O-    120.002
   5    4   14  Car  Car    F    120.000


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