SMILES:c1(ncc(s1)Cl)Br	

FORMULA: C3HBrClNS
MASS: 198.4687
EXACT MASS: 196.8701597
INTERATOMIC DISTANCES

              C   1      N   2      C   3      C   4      S   5     Br   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.5230     0.0000 
   C   3    2.4643     1.5230     0.0000 
   C   4    2.4643     2.4643     1.5230     0.0000 
   S   5    1.5231     2.4643     2.4643     1.5231     0.0000 
  Br   6    1.5230     2.7140     3.9409     3.9409     2.7140     0.0000 
  Cl   7    3.9410     3.9410     2.7140     1.5230     2.7140     5.3612 

             Cl   7
              -----------
  Cl   7    0.0000 



ATOMIC CHARGES
   C   1    0.1457021442
   N   2   -0.2291078454
   C   3    0.1179677975
   C   4    0.1078948605
   S   5   -0.0482967254
  Br   6   -0.0207027687
  Cl   7   -0.0734574627


BOND ANGLES
   6    1    2   Br  Car  Nar    126.001
   1    2    3  Car  Nar  Car    107.998
   7    4    5   Cl  Car   S2    125.999
   4    5    1  Car   S2  Car    107.997
   2    1    6  Nar  Car   Br    126.001
   5    4    7   S2  Car   Cl    125.999


TORSION ANGLES
   5    1    2    3      0.026
   6    1    2    3    179.974
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    1      0.026
   7    4    5    1    179.974
   4    5    1    2      0.026
   4    5    1    6    179.974