SMILES:n1c(C(=O)N)ccc(c1)N	

FORMULA: C6H7N3O
MASS: 137.1393
EXACT MASS: 137.0589119
INTERATOMIC DISTANCES

              N   1      C   2      C   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2875     0.0000 
   C   3    0.7411     0.7447     0.0000 
   O   4    1.9653     0.7432     1.2875     0.0000 
   C   5    1.2915     1.2935     0.7500     1.4879     0.0000 
   C   6    0.7447     1.9685     1.2875     2.5750     1.4900     0.0000 
   N   7    1.4859     0.7417     1.2864     1.2879     1.9713     2.2305 
   C   8    1.2864     2.2305     1.4859     2.6785     1.2875     0.7417 
   N   9    1.9614     2.9680     2.2233     3.3983     1.9588     1.2822 
   C  10    1.4875     1.9673     1.2879     2.2270     0.7391     1.2900 

              N   7      C   8      N   9      C  10
              --------------------------------------------
   N   7    0.0000 
   C   8    2.6788     0.0000 
   N   9    3.3999     0.7375     0.0000 
   C  10    2.5743     0.7468     1.2833     0.0000 



ATOMIC CHARGES
   N   1   -0.2377325017
   C   2    0.3018850046
   C   3    0.1378560717
   O   4   -0.2650010385
   C   5    0.0252675940
   C   6    0.1169672771
   N   7   -0.0823580046
   C   8    0.1082043201
   N   9   -0.1264273481
   C  10    0.0213386254


BOND ANGLES
  10    5    3  Car  Car  Car    119.746
   5    3    1  Car  Car  Nar    120.021
   3    5   10  Car  Car  Car    119.746
   5   10    8  Car  Car  Car    120.111


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