SMILES:n1c(nc(nc1O)N)C	

FORMULA: C4H6N4O
MASS: 126.1166
EXACT MASS: 126.0541608
INTERATOMIC DISTANCES

              N   1      C   2      N   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   N   5    2.6379     3.0460     2.6379     1.5230     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5230     0.0000 
   C   7    2.6379     1.5230     2.6379     4.0295     4.5690     4.0295 
   N   8    4.5690     4.0295     2.6380     1.5230     2.6379     4.0295 
   O   9    2.6379     4.0295     4.5690     4.0295     2.6379     1.5230 

              C   7      N   8      O   9
              ---------------------------------
   C   7    0.0000 
   N   8    5.2759     0.0000 
   O   9    5.2758     5.2759     0.0000 



ATOMIC CHARGES
   N   1   -0.1757672959
   C   2    0.1473083827
   N   3   -0.1959637902
   C   4    0.2615424223
   N   5   -0.1549768281
   C   6    0.3722863026
   C   7    0.0739233413
   N   8   -0.0858760176
   O   9   -0.2424765172


BOND ANGLES
   7    2    3   C3  Car  Nar    120.000
   2    3    4  Car  Nar  Car    120.000
   8    4    5  Npl  Car  Nar    119.999
   4    5    6  Car  Nar  Car    119.999
   9    6    1   O3  Car  Nar    120.001
   6    1    2  Car  Nar  Car    120.001
   3    2    7  Nar  Car   C3    120.000
   5    4    8  Nar  Car  Npl    119.999
   1    6    9  Nar  Car   O3    120.001


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