SMILES:c1(ncccn1)S	

FORMULA: C4H4N2S
MASS: 112.1530
EXACT MASS: 112.0095191
INTERATOMIC DISTANCES

              C   1      N   2      N   3      S   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7432     0.0000 
   N   3    0.7555     1.3000     0.0000 
   S   4    0.7500     1.2951     1.2998     0.0000 
   C   5    1.4959     1.2978     1.2972     2.2458     0.0000 
   C   6    1.2931     0.7500     1.4993     1.9804     0.7483     0.0000 
   C   7    1.3035     1.5008     0.7542     1.9872     0.7447     1.2958 

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



ATOMIC CHARGES
   C   1    0.2004220861
   N   2   -0.2189854096
   N   3   -0.2189854096
   S   4   -0.0092401797
   C   5    0.0413969973
   C   6    0.1026959577
   C   7    0.1026959577


BOND ANGLES
   5    6    2  Car  Car  Nar    120.024
   6    2    1  Car  Nar  Car    119.981
   2    6    5  Nar  Car  Car    120.024
   6    5    7  Car  Car  Car    120.434


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