SMILES:n1c(nsc1SC)N	

FORMULA: C3H5N3S2
MASS: 147.2219
EXACT MASS: 146.9924892
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      S   5      S   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4125     0.0000 
   C   3    1.4475     2.2925     0.0000 
   N   4    2.3308     1.4353     2.3128     0.0000 
   S   5    2.3521     2.3105     1.4507     1.4226     0.0000 
   S   6    2.5557     3.6702     1.4193     3.6858     2.5503     0.0000 
   N   7    2.5066     1.4115     3.6629     2.5252     3.6733     4.9901 
   C   8    2.9768     4.3442     2.4735     4.7588     3.8464     1.4523 

              N   7      C   8
              ----------------------
   N   7    0.0000 
   C   8    5.4634     0.0000 



ATOMIC CHARGES
   N   1   -0.1962302496
   C   2    0.2641202107
   C   3    0.1567626096
   N   4   -0.1712932917
   S   5    0.0420095609
   S   6   -0.0860794132
   N   7   -0.0855193866
   C   8    0.0762299599


BOND ANGLES
   4    5    3  Nar   S2  Car    107.200
   5    3    1   S2  Car  Nar    108.501
   3    5    4  Car   S2  Nar    107.200
   5    4    2   S2  Nar  Car    107.886


TORSION ANGLES
   4    2    1    3      0.026
   7    2    1    3    179.974
   5    3    1    2      0.026
   6    3    1    2    179.974
   5    4    2    1      0.026
   5    4    2    7    179.974
   4    5    3    1      0.026
   4    5    3    6    179.974
   8    6    3    1      0.026
   8    6    3    5    179.974
   3    5    4    2      0.026