SMILES:c1(ncccc1N)OC	

FORMULA: C6H8N2O
MASS: 124.1405
EXACT MASS: 124.0636629
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7447     0.0000 
   C   3    0.7500     1.2935     0.0000 
   N   4    1.2931     1.9709     0.7396     0.0000 
   O   5    0.7411     1.2875     1.2915     1.4958     0.0000 
   C   6    1.2875     0.7411     1.4900     2.2296     1.9645     0.0000 
   C   7    1.2900     1.4875     0.7426     1.2833     1.9673     1.2879 
   C   8    1.2843     1.4859     1.9699     2.2375     0.7417     2.2270 
   C   9    1.4859     1.2843     1.2875     1.9628     2.2270     0.7417 

              C   7      C   8      C   9
              ---------------------------------
   C   7    0.0000 
   C   8    2.5743     0.0000 
   C   9    0.7432     2.6758     0.0000 



ATOMIC CHARGES
   C   1    0.2421990203
   N   2   -0.2089868762
   C   3    0.1420581426
   N   4   -0.1231657674
   O   5   -0.4552148011
   C   6    0.1021457003
   C   7    0.0244105239
   C   8    0.2542752469
   C   9    0.0222788106


BOND ANGLES
   9    6    2  Car  Car  Nar    120.021
   6    2    1  Car  Nar  Car    120.116
   2    6    9  Nar  Car  Car    120.021
   6    9    7  Car  Car  Car    120.301


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