SMILES:n1c(CN)cccc1	

FORMULA: C6H8N2
MASS: 108.1411
EXACT MASS: 108.0687483
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7504     0.0000 
   N   3    1.4838     1.2822     0.0000 
   C   4    0.7396     1.2875     2.2233     0.0000 
   C   5    1.2875     0.7396     0.7375     1.9612     0.0000 
   C   6    1.2921     0.7417     1.9607     1.4859     1.2859     0.0000 
   C   7    1.2859     1.4859     2.6728     0.7417     2.2255     1.2875 
   C   8    1.4875     1.2885     2.5707     1.2822     1.9673     0.7483 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7375     0.0000 



ATOMIC CHARGES
   N   1   -0.2466583526
   C   2    0.0782233191
   N   3   -0.1245115641
   C   4    0.0985000121
   C   5    0.1546940783
   C   6    0.0162438330
   C   7    0.0206583336
   C   8    0.0028503405


BOND ANGLES
   8    6    2  Car  Car  Car    119.703
   6    2    1  Car  Car  Nar    119.982
   2    6    8  Car  Car  Car    119.703
   6    8    7  Car  Car  Car    120.113


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