SMILES:n1c(C#N)c(cc(c1)N)C	

FORMULA: C7H7N3
MASS: 133.1506
EXACT MASS: 133.0639972
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.4895     0.0000 
   C   3    0.7411     1.2885     0.0000 
   C   4    1.2917     0.7417     0.7483     0.0000 
   C   5    1.2915     1.9727     0.7500     1.2956     0.0000 
   C   6    1.4875     2.5764     1.2879     1.9701     0.7391     0.0000 
   C   7    0.7447     2.2342     1.2875     1.9727     1.4900     1.2900 
   C   8    1.2864     2.6818     1.4859     2.2342     1.2875     0.7468 
   N   9    1.9614     3.4031     2.2233     2.9717     1.9588     1.2833 
   C  10    1.9736     2.2375     1.2972     1.4958     0.7468     1.2875 

              C   7      C   8      N   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    0.7417     0.0000 
   N   9    1.2822     0.7375     0.0000 
   C  10    2.2368     1.9709     2.5708     0.0000 



ATOMIC CHARGES
   N   1   -0.2324355461
   N   2   -0.1892690836
   C   3    0.1452505972
   C   4    0.1194282826
   C   5    0.0070175373
   C   6    0.0175586088
   C   7    0.1175789021
   C   8    0.1079308796
   N   9   -0.1264371689
   C  10    0.0333769909


BOND ANGLES
   6    5    3  Car  Car  Car    119.746
   5    3    1  Car  Car  Nar    120.021
   3    5    6  Car  Car  Car    119.746
   5    6    8  Car  Car  Car    120.111


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