SMILES:c1(nccs1)Br	

FORMULA: C3H2BrNS
MASS: 164.0237
EXACT MASS: 162.9091321
INTERATOMIC DISTANCES

              C   1      N   2      S   3      C   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7393     0.0000 
   S   3    0.7426     1.2017     0.0000 
   C   4    1.2009     0.7417     1.2070     0.0000 
   C   5    1.2000     1.2027     0.7426     0.7497     0.0000 
  Br   6    0.7510     1.3288     1.3277     1.9293     1.9272     0.0000 




ATOMIC CHARGES
   C   1    0.1449189130
   N   2   -0.2300100760
   S   3   -0.0592413479
   C   4    0.1070515914
   C   5    0.0580095315
  Br   6   -0.0207286121


BOND ANGLES
   5    4    2  Car  Car  Nar    107.489
   4    2    1  Car  Nar  Car    108.360
   2    4    5  Nar  Car  Car    107.489
   4    5    3  Car  Car   S2    107.968


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    3    1    2      0.026
   5    3    1    6    179.974
   5    4    2    1      0.026
   4    5    3    1      0.026
   2    4    5    3      0.026