SMILES:n1c(c(N)ccc1)C	

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

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7426     0.0000 
   C   3    1.2864     0.7458     0.0000 
   N   4    1.9646     1.2894     0.7396     0.0000 
   C   5    0.7391     1.2875     1.4879     2.2275     0.0000 
   C   6    1.2875     0.7391     1.2843     1.4875     1.9637     0.0000 
   C   7    1.4875     1.2935     0.7468     1.2833     1.2915     1.9673 
   C   8    1.2843     1.4879     1.2875     1.9612     0.7458     2.2270 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7432     0.0000 



ATOMIC CHARGES
   N   1   -0.2467862423
   C   2    0.0760347608
   C   3    0.1026021080
   N   4   -0.1268217578
   C   5    0.0985394130
   C   6    0.0535391399
   C   7    0.0208513519
   C   8    0.0220412265


BOND ANGLES
   7    3    2  Car  Car  Car    120.143
   3    2    1  Car  Car  Nar    119.589
   2    3    7  Car  Car  Car    120.143
   3    7    8  Car  Car  Car    119.556


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