SMILES:n1c(nccc1O)N	

FORMULA: C4H5N3O
MASS: 111.1020
EXACT MASS: 111.0432618
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7432     0.0000 
   C   3    0.7417     1.2879     0.0000 
   N   4    1.2875     0.7468     1.4859     0.0000 
   C   5    1.2843     1.4875     0.7411     1.2864     0.0000 
   N   6    1.2843     0.7375     1.9621     1.2864     2.2250     0.0000 
   C   7    1.4859     1.2900     1.2875     0.7417     0.7447     1.9634 
   O   8    1.2859     1.9651     0.7396     2.2255     1.2792     2.5702 

              C   7      O   8
              ----------------------
   C   7    0.0000 
   O   8    1.9612     0.0000 



ATOMIC CHARGES
   N   1   -0.1723240660
   C   2    0.2592629054
   C   3    0.2832848344
   N   4   -0.2093769492
   C   5    0.0832733098
   N   6   -0.0859570519
   C   7    0.1068927760
   O   8   -0.2650557585


BOND ANGLES
   7    4    2  Car  Nar  Car    120.143
   4    2    1  Nar  Car  Nar    119.556
   2    4    7  Car  Nar  Car    120.143
   4    7    5  Nar  Car  Car    119.863


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