SMILES:c1c(nc(c(c1)N)Cl)C=O	

FORMULA: C6H5ClN2O
MASS: 156.5697
EXACT MASS: 156.0090405
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 
  Cl   7    4.5690     4.0295     2.6379     1.5230     2.6379     4.0295 
   N   8    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   C   9    2.6379     1.5230     2.6379     4.0294     4.5689     4.0295 
   O  10    3.0460     2.6379     4.0295     5.2758     5.4912     4.5690 

             Cl   7      N   8      C   9      O  10
              --------------------------------------------
  Cl   7    0.0000 
   N   8    3.0460     0.0000 
   C   9    5.2758     6.0920     0.0000 
   O  10    6.6386     6.9793     1.5230     0.0000 



ATOMIC CHARGES
   C   1    0.0239632096
   C   2    0.1244490805
   N   3   -0.2292299214
   C   4    0.1549942066
   C   5    0.1174464617
   C   6    0.0221314875
  Cl   7   -0.0598944988
   N   8   -0.1255657329
   C   9    0.2531667757
   O  10   -0.2814610686


BOND ANGLES
   9    2    3   C2  Car  Nar    120.000
   2    3    4  Car  Nar  Car    120.000
   7    4    5   Cl  Car  Car    119.999
   4    5    6  Car  Car  Car    120.001
   4    5    8  Car  Car  Npl    119.999
   8    5    6  Npl  Car  Car    120.000
   5    6    1  Car  Car  Car    120.000
   5    4    7  Car  Car   Cl    119.999
   6    5    8  Car  Car  Npl    120.000
   3    2    9  Nar  Car   C2    120.000
   2    9   10  Car   C2   O2    120.000


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