SMILES:c1c(nc2c(c1)nccc2)O	

FORMULA: C8H6N2O
MASS: 146.1460
EXACT MASS: 146.0480128
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   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 
   C   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    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   C   8    5.4912     5.2758     4.0294     2.6379     3.0460     4.5689 
   C   9    5.2758     5.4912     4.5689     3.0460     2.6379     4.0294 
   N  10    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   O  11    2.6333     1.5177     2.6334     4.0245     4.5637     4.0245 

              C   7      C   8      C   9      N  10      O  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
   N  10    3.0460     2.6379     1.5230     0.0000 
   O  11    5.2713     6.6337     6.9740     6.0867     0.0000 



ATOMIC CHARGES
   C   1    0.0640914332
   C   2    0.2793887476
   N   3   -0.2063341183
   C   4    0.1021452550
   C   5    0.0991447283
   C   6    0.0255796724
   C   7    0.0223327703
   C   8    0.0222265655
   C   9    0.0989332989
   N  10   -0.2423142041
   O  11   -0.2651941488


BOND ANGLES
  11    2    3   O3  Car  Nar    120.003
   2    3    4  Car  Nar  Car    120.000
   7    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    120.001
   5    4    7  Car  Car  Car    119.999
   4    7    8  Car  Car  Car    120.000
   3    2   11  Nar  Car   O3    120.003


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2   11    179.974
   1    2    3    4      0.026
  11    2    3    4    179.974
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5   10    179.974
   7    4    5    6    179.974
   7    4    5   10      0.026
   4    5    6    1      0.026
  10    5    6    1    179.974
   5    6    1    2      0.026
   3    4    7    8    179.974
   5    4    7    8      0.026
   4    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10    5      0.026
   9   10    5    4      0.026
   9   10    5    6    179.974