SMILES:c1(nc2c([nH]1)cccc2)S	

FORMULA: C7H6N2S
MASS: 150.2009
EXACT MASS: 150.0251692
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3293     0.0000 
   N   3    1.3295     2.1511     0.0000 
   C   4    2.1459     1.3233     2.1489     0.0000 
   C   5    2.1472     2.1463     1.3279     1.3272     0.0000 
   S   6    1.3277     2.3670     2.3681     3.4327     3.4351     0.0000 
   C   7    3.4732     2.4380     3.4203     1.3449     2.3119     4.7259 
   C   8    3.4714     3.4140     2.4397     2.3094     1.3416     4.7261 
   C   9    4.4010     3.5946     3.9687     2.3118     2.6586     5.7172 
   C  10    4.4076     3.9755     3.6003     2.6709     2.3148     5.7239 

              C   7      C   8      C   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.6632     0.0000 
   C   9    1.3328     2.2892     0.0000 
   C  10    2.3068     1.3279     1.3184     0.0000 



ATOMIC CHARGES
   C   1    0.2004209202
   N   2   -0.2190370470
   N   3   -0.2190370470
   C   4    0.1010961768
   C   5    0.1010961768
   S   6   -0.0092401843
   C   7    0.0207054840
   C   8    0.0207054840
   C   9    0.0016450182
   C  10    0.0016450182


BOND ANGLES
   4    5    3  Car  Car  Nar    108.063
   5    3    1  Car  Nar  Car    107.801
   9   10    8  Car  Car  Car    119.783
  10    8    5  Car  Car  Car    120.250
   3    5    4  Nar  Car  Car    108.063
   5    4    2  Car  Car  Nar    108.145
   8   10    9  Car  Car  Car    119.783
  10    9    7  Car  Car  Car    120.938


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    6    179.974
   5    3    1    2      0.026
   5    3    1    6    179.974
   7    4    2    1    179.974
   5    4    2    1      0.026
   8    5    3    1    179.974
   4    5    3    1      0.026
   9    7    4    2    179.974
   9    7    4    5      0.026
  10    8    5    3    179.974
  10    8    5    4      0.026
  10    9    7    4      0.026
   9   10    8    5      0.026
   3    5    4    2      0.026
   3    5    4    7    179.974
   8    5    4    2    179.974
   8    5    4    7      0.026
   8   10    9    7      0.026