SMILES:c1c(c(cc(c1)C#N)Cl)S	

FORMULA: C7H4ClNS
MASS: 169.6314
EXACT MASS: 168.9752978
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 
  Cl   8    2.1850     1.4294     0.8250     1.4307     2.1886     2.4780 
   C   9    2.1808     2.4775     2.1880     1.4340     0.8250     1.4283 
   N  10    2.9744     3.3039     2.9807     2.1878     1.6514     2.1843 

              S   7     Cl   8      C   9      N  10
              --------------------------------------------
   S   7    0.0000 
  Cl   8    1.6508     0.0000 
   C   9    3.3026     2.8647     0.0000 
   N  10    4.1289     3.6037     0.8264     0.0000 



ATOMIC CHARGES
   C   1    0.0085076566
   C   2    0.0462692321
   C   3    0.0647731119
   C   4    0.0221868334
   C   5    0.0693198218
   C   6    0.0108578649
   S   7   -0.0498373838
  Cl   8   -0.0816875727
   C   9    0.1004407599
   N  10   -0.1908303241


BOND ANGLES
   6    5    9  Car  Car   C1    120.020
   5    9   10  Car   C1   N1    179.848
   3    2    7  Car  Car   S3    120.029
   8    3    4   Cl  Car  Car    119.995
   3    4    5  Car  Car  Car    119.788
   4    3    8  Car  Car   Cl    119.995
   7    2    3   S3  Car  Car    120.029
   2    3    4  Car  Car  Car    120.006
   2    3    8  Car  Car   Cl    119.999
   9    5    6   C1  Car  Car    120.020
   5    6    1  Car  Car  Car    120.129


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