SMILES:n1c(N)ccc(c1)CO	

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

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7463     0.0000 
   C   3    1.2921     1.5008     0.0000 
   C   4    0.7463     1.3000     0.7500     0.0000 
   N   5    1.3000     0.7504     2.2512     1.9857     0.0000 
   C   6    1.2921     0.7500     1.3000     1.5008     1.2993     0.0000 
   C   7    1.4917     1.2993     0.7504     1.2993     1.9849     0.7504 
   O   8    2.2471     2.7060     1.3000     1.5008     3.4392     2.6000 
   C   9    1.9787     2.2512     0.7504     1.2993     3.0017     1.9857 

              C   7      O   8      C   9
              ---------------------------------
   C   7    0.0000 
   O   8    1.9857     0.0000 
   C   9    1.3000     0.7504     0.0000 



ATOMIC CHARGES
   N   1   -0.2261741149
   C   2    0.1696971368
   C   3    0.0298417691
   C   4    0.0986497953
   N   5   -0.1072054152
   C   6    0.0373961242
   C   7    0.0027771374
   O   8   -0.2151175481
   C   9    0.2101351153


BOND ANGLES
   6    7    3  Car  Car  Car    120.037
   7    3    4  Car  Car  Car    119.982
   3    7    6  Car  Car  Car    120.037
   7    6    2  Car  Car  Car    119.982


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