SMILES:c1(ncc(cn1)O)N	

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

              C   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.7354     0.0000 
   N   3    0.7426     1.2833     0.0000 
   C   4    1.4792     1.2822     1.2864     0.0000 
   C   5    1.2864     1.4843     0.7458     0.7426     0.0000 
   C   6    1.2822     0.7458     1.4843     0.7354     1.2833     0.0000 
   N   7    0.7458     1.2822     1.2864     2.2250     1.9673     1.9646 
   O   8    2.2250     1.9646     1.9673     0.7458     1.2864     1.2822 

              N   7      O   8
              ----------------------
   N   7    0.0000 
   O   8    2.9708     0.0000 



ATOMIC CHARGES
   C   1    0.2568482751
   N   2   -0.2061780886
   N   3   -0.2061780886
   C   4    0.2338817903
   C   5    0.1454490873
   C   6    0.1454490873
   N   7   -0.0860457088
   O   8   -0.2832263540


BOND ANGLES
   4    6    2  Car  Car  Nar    119.908
   6    2    1  Car  Nar  Car    119.908
   2    6    4  Nar  Car  Car    119.908
   6    4    5  Car  Car  Car    120.503


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