SMILES:c1(ncc(cn1)C=O)N	

FORMULA: C5H5N3O
MASS: 123.1127
EXACT MASS: 123.0432618
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.8233     0.0000 
   N   3    0.8269     1.4292     0.0000 
   C   4    1.6500     1.4280     1.4301     0.0000 
   C   5    1.4301     1.6502     0.8250     0.8269     0.0000 
   C   6    1.4280     0.8250     1.6502     0.8233     1.4292     0.0000 
   C   7    2.4750     2.1794     2.1862     0.8250     1.4342     1.4238 
   O   8    2.9741     2.8559     2.4750     1.4280     1.6500     2.1802 
   N   9    0.8250     1.4280     1.4301     2.4750     2.1835     2.1821 

              C   7      O   8      N   9
              ---------------------------------
   C   7    0.0000 
   O   8    0.8305     0.0000 
   N   9    3.3000     3.7803     0.0000 



ATOMIC CHARGES
   C   1    0.2566585337
   N   2   -0.2094522133
   N   3   -0.2094522133
   C   4    0.0805835952
   C   5    0.1067402370
   C   6    0.1067402370
   C   7    0.2372671876
   O   8   -0.2830370525
   N   9   -0.0860483113


BOND ANGLES
   6    4    5  Car  Car  Car    120.009
   4    5    3  Car  Car  Nar    119.923
   5    4    6  Car  Car  Car    120.009
   4    6    2  Car  Car  Nar    120.069


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