SMILES:n1oc(cc1CN)C	

FORMULA: C5H8N2O
MASS: 112.1298
EXACT MASS: 112.0636629
INTERATOMIC DISTANCES

              N   1      C   2      O   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    2.3970     0.0000 
   O   3    1.2048     2.0884     0.0000 
   C   4    1.2125     2.0750     2.0993     0.0000 
   C   5    2.0708     1.2000     1.2012     2.3997     0.0000 
   N   6    2.5947     4.3667     3.7986     2.2917     4.5290     0.0000 
   C   7    2.1996     3.2949     3.3125     1.3272     3.7268     1.3179 
   C   8    3.1845     2.0947     2.0875     3.6189     1.2192     5.7172 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    4.9460     0.0000 



ATOMIC CHARGES
   N   1   -0.0802414854
   C   2    0.0550863788
   O   3   -0.3580292251
   C   4    0.1195055822
   C   5    0.1545545600
   N   6   -0.1243921803
   C   7    0.1581485375
   C   8    0.0753678323


BOND ANGLES
   2    5    3  Car  Car   O2    120.858
   5    3    1  Car   O2  Nar    118.786
   3    5    2   O2  Car  Car    120.858
   5    2    4  Car  Car  Car     90.145


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