SMILES:c1c(cccc1C#N)S	

FORMULA: C7H5NS
MASS: 135.1863
EXACT MASS: 135.0142702
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   C   3    1.4309     0.8255     0.0000 
   C   4    1.6520     1.4312     0.8271     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8306     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4327     0.8241     0.0000 
   S   7    1.4312     0.8250     1.4296     2.1853     2.4776     2.1836 
   C   8    1.4267     2.1839     2.4780     2.1869     1.4277     0.8250 
   N   9    2.1859     2.9807     3.3072     2.9819     2.1840     1.6542 

              S   7      C   8      N   9
              ---------------------------------
   S   7    0.0000 
   C   8    2.8579     0.0000 
   N   9    3.6011     0.8292     0.0000 



ATOMIC CHARGES
   C   1    0.0172452790
   C   2    0.0363518099
   C   3    0.0070117157
   C   4    0.0012161329
   C   5    0.0103090804
   C   6    0.0689596255
   S   7   -0.0506929157
   C   8    0.1004297285
   N   9   -0.1908304562


BOND ANGLES
   8    6    1   C1  Car  Car    119.934
   6    1    2  Car  Car  Car    120.184
   3    2    7  Car  Car   S3    120.029
   1    6    8  Car  Car   C1    119.934
   6    8    9  Car   C1   N1    179.702
   7    2    3   S3  Car  Car    120.029
   2    3    4  Car  Car  Car    120.006


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