SMILES:n1c(scc1)C	

FORMULA: C4H5NS
MASS: 99.1542
EXACT MASS: 99.0142702
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6750     0.0000 
   S   3    1.1665     0.6667     0.0000 
   C   4    1.1542     1.3335     1.1644     0.0000 
   C   5    1.3350     1.1500     0.6689     0.6708     0.0000 
   C   6    1.1607     0.6683     1.1542     2.0017     1.7618     0.0000 




ATOMIC CHARGES
   N   1   -0.2411485693
   C   2    0.0886766430
   S   3   -0.0701749304
   C   4    0.1060421042
   C   5    0.0571883187
   C   6    0.0594164337


BOND ANGLES
   3    5    4   S2  Car  Car    120.721
   5    4    1  Car  Car  Nar     90.000
   4    5    3  Car  Car   S2    120.721
   5    3    2  Car   S2  Car    118.868


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