SMILES:n1c(c(sc1)C)C	

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

              N   1      C   2      C   3      C   4      S   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4190     0.0000 
   C   3    2.3012     1.4167     0.0000 
   C   4    1.4401     2.3085     2.3060     0.0000 
   S   5    2.3167     2.3012     1.4190     1.4334     0.0000 
   C   6    2.5441     1.4435     2.5493     3.7078     3.7004     0.0000 
   C   7    3.7004     2.5493     1.4435     3.7043     2.5441     3.1167 

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



ATOMIC CHARGES
   N   1   -0.2409108709
   C   2    0.0619896514
   C   3    0.0226059954
   C   4    0.1337620692
   S   5   -0.0692050118
   C   6    0.0523041058
   C   7    0.0394540608


BOND ANGLES
   5    3    2   S2  Car  Car    108.489
   3    2    1  Car  Car  Nar    108.489
   2    3    5  Car  Car   S2    108.489
   3    5    4  Car   S2  Car    107.881


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