SMILES:c1(ncccn1)CO	

FORMULA: C5H6N2O
MASS: 110.1139
EXACT MASS: 110.0480128
INTERATOMIC DISTANCES

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7468     0.0000 
   N   3    0.7463     1.2958     0.0000 
   C   4    1.4918     1.2963     1.2931     0.0000 
   C   5    1.2942     1.4967     0.7500     0.7432     0.0000 
   C   6    1.2972     0.7500     1.5014     0.7535     1.3000     0.0000 
   O   7    1.2993     1.5000     1.9787     2.6993     2.5935     2.2500 
   C   8    0.7500     1.2972     1.2921     2.2417     1.9780     1.9831 

              O   7      C   8
              ----------------------
   O   7    0.0000 
   C   8    0.7504     0.0000 



ATOMIC CHARGES
   C   1    0.1724618101
   N   2   -0.2265137441
   N   3   -0.2265137441
   C   4    0.0413456285
   C   5    0.1019378942
   C   6    0.1019378942
   O   7   -0.2116424323
   C   8    0.2469866935


BOND ANGLES
   6    4    5  Car  Car  Car    120.579
   4    5    3  Car  Car  Nar    119.981
   5    4    6  Car  Car  Car    120.579
   4    6    2  Car  Car  Nar    119.120


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