SMILES:n1c(scc1C)C	

FORMULA: C5H7NS
MASS: 113.1808
EXACT MASS: 113.0299202
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8250     0.0000 
   S   3    1.4280     0.8233     0.0000 
   C   4    1.4250     1.6487     1.4316     0.0000 
   C   5    1.6445     1.4250     0.8254     0.8250     0.0000 
   C   6    1.4280     0.8233     1.4250     2.4720     2.1777     0.0000 
   C   7    2.0845     2.4485     2.2334     0.8191     1.5212     3.2693 

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



ATOMIC CHARGES
   N   1   -0.2469921956
   C   2    0.0882410019
   S   3   -0.0705782421
   C   4    0.0660336611
   C   5    0.0512425910
   C   6    0.0594029168
   C   7    0.0526502669


BOND ANGLES
   3    5    4   S2  Car  Car    120.321
   5    4    1  Car  Car  Nar     89.831
   4    5    3  Car  Car   S2    120.321
   5    3    2  Car   S2  Car    119.611


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