SMILES:N#Cc1ncc(N)cc1	

FORMULA: C6H5N3
MASS: 119.1240
EXACT MASS: 119.0483472
INTERATOMIC DISTANCES

              N   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.7803     0.0000 
   C   3    1.4243     2.4792     0.0000 
   C   4    2.8559     1.4280     1.4316     0.0000 
   C   5    5.1590     1.4352     3.7925     2.4833     0.0000 
   C   6    5.7253     2.4849     4.3009     2.8694     1.4375     0.0000 
   N   7    7.1595     3.7990     5.7352     4.3036     2.4915     1.4342 
   C   8    3.7841     2.4807     2.4828     1.4375     2.8694     2.4833 
   C   9    5.1626     2.8750     3.7963     2.4915     2.4957     1.4414 

              N   7      C   8      C   9
              ---------------------------------
   N   7    0.0000 
   C   8    3.7908     0.0000 
   C   9    2.4833     1.4342     0.0000 



ATOMIC CHARGES
   N   1   -0.1892587935
   N   2   -0.2321111263
   C   3    0.1197555760
   C   4    0.1492483184
   C   5    0.1176010519
   C   6    0.1082454098
   N   7   -0.1264267931
   C   8    0.0310483889
   C   9    0.0218979678


BOND ANGLES
   5    6    9  Car  Car  Car    120.197
   6    9    8  Car  Car  Car    119.438
   9    6    5  Car  Car  Car    120.197
   6    5    2  Car  Car  Nar    119.766


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