SMILES:n1c(cncc1)CO	

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

              N   1      N   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    1.5000     0.0000 
   C   3    0.7504     1.2993     0.0000 
   C   4    1.2993     0.7504     0.7500     0.0000 
   O   5    1.9857     2.2512     1.3000     1.5008     0.0000 
   C   6    1.3000     1.9849     0.7504     1.2993     0.7504     0.0000 
   C   7    0.7504     1.2993     1.3000     1.5008     2.6000     1.9857 
   C   8    1.2993     0.7504     1.5008     1.3000     2.7060     2.2512 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7500     0.0000 



ATOMIC CHARGES
   N   1   -0.2423419715
   N   2   -0.2393696188
   C   3    0.1112354549
   C   4    0.1161792025
   O   5   -0.2133998564
   C   6    0.2290040890
   C   7    0.1191862554
   C   8    0.1195064449


BOND ANGLES
   4    2    8  Car  Nar  Car    120.037
   2    8    7  Nar  Car  Car    119.982
   8    2    4  Car  Nar  Car    120.037
   2    4    3  Nar  Car  Car    119.982


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