SMILES:C1CC[C@H]([C@@H](C1)[NH3+])F.[Br-]	

FORMULA: C6H13BrFN
MASS: 198.0765
EXACT MASS: 197.0215396
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4241     0.8208     0.0000 
   C   4    1.6457     1.4240     0.8208     0.0000 
   C   5    1.4240     1.6457     1.4241     0.8250     0.0000 
   C   6    0.8250     1.4314     1.6500     1.4314     0.8250     0.0000 
   N   7    2.1787     2.4707     2.1772     1.4277     0.8250     1.4277 
   F   8    2.4707     2.1775     1.4259     0.8250     1.4295     2.1847 
  Br   9    3.7758     3.9205     3.4013     2.5828     2.3574     3.0586 
   H  10    1.1236     1.8737     2.5472     2.6921     2.2359     1.4162 
   H  11    1.1236     1.8737     2.5472     2.6921     2.2359     1.4162 
   H  12    1.1236     1.8737     2.5472     2.6921     2.2359     1.4162 

              N   7      F   8     Br   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   N   7    0.0000 
   F   8    1.6489     0.0000 
  Br   9    1.6337     2.2149     0.0000 
   H  10    2.7923     3.5051     4.4205     0.0000 
   H  11    2.7923     3.5051     4.4205     0.0000     0.0000 
   H  12    2.7923     3.5051     4.4205     0.0000     0.0000     0.0000 




ATOMIC CHARGES
   C   1    0.0060577244
   C   2    0.0032345470
   C   3    0.0412623167
   C   4    0.2093994436
   C   5    0.0824899714
   C   6    0.0576395466
   N   7    0.2301087752
   F   8   -0.2311607966
  Br   9    0.0000000000
   H  10    0.2003228239
   H  11    0.2003228239
   H  12    0.2003228239


BOND ANGLES
   2    1    6   C3   C3   C3    120.338
   8    4    5    F   C3   C3    120.080
   4    5    6   C3   C3   C3    120.338
   4    5    7   C3   C3  N3+    119.831
   7    5    6  N3+   C3   C3    119.831
   6    5    7   C3   C3  N3+    119.831
   5    7   10   C3  N3+   HC     40.973
   5    7   11   C3  N3+   HC     40.973
   5    7   12   C3  N3+   HC     40.973
   5    4    8   C3   C3    F    120.080
   6    1    2   C3   C3   C3    120.338
   1    2    3   C3   C3   C3    119.832
  11    7   10   HC  N3+   HC      0.026
  12    7   10   HC  N3+   HC      0.026
  10    7   11   HC  N3+   HC      0.026
  12    7   11   HC  N3+   HC      0.026
  10    7   12   HC  N3+   HC      0.026
  11    7   12   HC  N3+   HC      0.026


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


CHIRAL ATOMS
   C     4 is chiral: counterclockwise
   C     5 is chiral: clockwise