SMILES:c1(nccs1)SC	

FORMULA: C4H5NS2
MASS: 131.2192
EXACT MASS: 130.9863412
INTERATOMIC DISTANCES

              C   1      N   2      S   3      C   4      C   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6792     0.0000 
   S   3    0.6775     1.1742     0.0000 
   C   4    1.3500     1.1667     1.1701     0.0000 
   C   5    1.1667     1.3479     0.6725     0.6750     0.0000 
   S   6    0.6775     1.1742     1.1750     2.0275     1.7872     0.0000 
   C   7    1.1706     1.7908     1.3551     2.4370     2.0275     0.6750 

              C   7
              -----------
   C   7    0.0000 



ATOMIC CHARGES
   C   1    0.1364927873
   N   2   -0.2304923482
   S   3   -0.0596999379
   C   4    0.1070510119
   C   5    0.0580094486
   S   6   -0.0875466171
   C   7    0.0761856553


BOND ANGLES
   5    4    2  Car  Car  Nar     90.000
   4    2    1  Car  Nar  Car     90.000
   2    4    5  Nar  Car  Car     90.000
   4    5    3  Car  Car   S2    120.539


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