SMILES:c1(ccns1)Br	

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

              C   1      N   2      C   3      S   4      C   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3374     0.0000 
   C   3    0.8250     1.3391     0.0000 
   S   4    0.8305     0.8220     1.3385     0.0000 
   C   5    1.3338     0.8325     0.8220     1.3367     0.0000 
  Br   6    0.8413     2.1155     1.5464     1.4163     2.1702     0.0000 




ATOMIC CHARGES
   C   1    0.0832813546
   N   2   -0.2071260111
   C   3    0.0359884509
   S   4    0.0198101282
   C   5    0.1083740235
  Br   6   -0.0403279460


BOND ANGLES
   5    2    4  Car  Nar   S2    107.784
   2    4    1  Nar   S2  Car    108.070
   4    2    5   S2  Nar  Car    107.784
   2    5    3  Nar  Car  Car    108.071


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