SMILES:c1cnc(c(n1)OC)N	

FORMULA: C5H7N3O
MASS: 125.1286
EXACT MASS: 125.0589119
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   N   3    2.6380     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6380     1.5231     0.0000 
   N   6    1.5229     2.6379     3.0460     2.6379     1.5230     0.0000 
   O   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6380 
   C   8    4.5690     5.4913     5.2759     4.0295     2.6378     3.0461 
   N   9    4.5691     4.0295     2.6380     1.5230     2.6380     4.0295 

              O   7      C   8      N   9
              ---------------------------------
   O   7    0.0000 
   C   8    1.5230     0.0000 
   N   9    3.0460     4.5690     0.0000 



ATOMIC CHARGES
   C   1    0.1227898959
   C   2    0.1212687648
   N   3   -0.2204120295
   C   4    0.2233648274
   C   5    0.2610075765
   N   6   -0.2060170961
   O   7   -0.4541699826
   C   8    0.2543260049
   N   9   -0.1021579614


BOND ANGLES
   9    4    5  Npl  Car  Car    119.999
   4    5    6  Car  Car  Nar    119.996
   4    5    7  Car  Car   O3    119.996
   7    5    6   O3  Car  Nar    120.008
   5    6    1  Car  Nar  Car    120.006
   6    5    7  Nar  Car   O3    120.008
   5    7    8  Car   O3   C3    119.996
   5    4    9  Car  Car  Npl    119.999


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