SMILES:n1c([nH]c2c1cccc2)CN	

FORMULA: C8H9N3
MASS: 147.1772
EXACT MASS: 147.0796473
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    2.3260     0.0000 
   C   3    1.4352     1.4368     0.0000 
   C   4    1.4292     2.3288     2.3197     0.0000 
   C   5    2.3215     1.4359     2.3199     1.4420     0.0000 
   C   6    2.5552     2.5559     1.4333     3.7083     3.7097     0.0000 
   N   7    2.9976     3.8409     2.4851     4.3877     4.7791     1.4334 
   C   8    2.6142     3.6675     3.7254     1.4221     2.4698     5.0798 
   C   9    3.6818     2.6250     3.7392     2.4952     1.4385     5.0927 
   C  10    4.2860     3.8804     4.7502     2.8785     2.4898     6.1710 
   C  11    3.8709     4.2851     4.7442     2.4852     2.8701     6.1646 

              N   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
   C   8    5.6008     0.0000 
   C   9    6.2120     2.8551     0.0000 
   C  10    7.1233     2.4750     1.4367     0.0000 
   C  11    6.8620     1.4263     2.4872     1.4384     0.0000 



ATOMIC CHARGES
   N   1   -0.2276805728
   N   2   -0.2276805728
   C   3    0.1583470942
   C   4    0.1002966628
   C   5    0.1002966628
   C   6    0.1744943056
   N   7   -0.1227214748
   C   8    0.0206792599
   C   9    0.0206792599
   C  10    0.0016446875
   C  11    0.0016446875


BOND ANGLES
   2    5    4  Nar  Car  Car    108.033
   5    4    1  Car  Car  Nar    107.907
  10    9    5  Car  Car  Car    119.983
   9    5    4  Car  Car  Car    120.047
   9    5    2  Car  Car  Nar    131.920
   4    5    2  Car  Car  Nar    108.033
   5    2    3  Car  Nar  Car    107.725
   5    9   10  Car  Car  Car    119.983
   9   10   11  Car  Car  Car    119.786


TORSION ANGLES
   5    2    3    1      0.026
   5    2    3    6    179.974
   2    3    1    4      0.026
   6    3    1    4    179.974
   5    4    1    3      0.026
   8    4    1    3    179.974
   9    5    4    1    179.974
   9    5    4    8      0.026
   2    5    4    1      0.026
   2    5    4    8    179.974
   7    6    3    2    179.974
   7    6    3    1      0.026
  11    8    4    1    179.974
  11    8    4    5      0.026
  10    9    5    4      0.026
  10    9    5    2    179.974
   9   10   11    8      0.026
  10   11    8    4      0.026
   4    5    2    3      0.026
   9    5    2    3    179.974
   5    9   10   11      0.026