SMILES:c1(c(nc(c(c1N)Cl)C)C)Cl	

FORMULA: C7H8Cl2N2
MASS: 191.0578
EXACT MASS: 190.0064536
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   N   3    1.4310     0.8255     0.0000 
   C   4    1.6520     1.4312     0.8271     0.0000 
   C   5    1.4273     1.6525     1.4341     0.8305     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4326     0.8241     0.0000 
   N   7    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 
  Cl   8    2.1808     2.4775     2.1880     1.4339     0.8250     1.4283 
  Cl   9    0.8249     1.4303     2.1842     2.4769     2.1804     1.4264 
   C  10    1.4312     0.8250     1.4296     2.1853     2.4775     2.1835 
   C  11    2.4770     2.1854     1.4316     0.8251     1.4345     2.1864 

              N   7     Cl   8     Cl   9      C  10      C  11
              -------------------------------------------------------
   N   7    0.0000 
  Cl   8    1.6486     0.0000 
  Cl   9    1.6458     2.8547     0.0000 
   C  10    2.8578     3.3025     1.6516     0.0000 
   C  11    2.8622     1.6571     3.3020     2.8612     0.0000 



ATOMIC CHARGES
   C   1    0.0886997733
   C   2    0.0708444977
   N   3   -0.2521795771
   C   4    0.0708444977
   C   5    0.0886997733
   C   6    0.1123900770
   N   7   -0.1262067240
  Cl   8   -0.0795756131
  Cl   9   -0.0795756131
   C  10    0.0530294542
   C  11    0.0530294542


BOND ANGLES
   8    5    6   Cl  Car  Car    120.020
   5    6    1  Car  Car  Car    120.135
   5    6    7  Car  Car  Npl    119.937
   7    6    1  Npl  Car  Car    119.928
   6    1    2  Car  Car  Car    120.178
   6    1    9  Car  Car   Cl    119.911
   9    1    2   Cl  Car  Car    119.911
   1    2   10  Car  Car   C3    120.029
   1    2    3  Car  Car  Nar    119.936
   1    6    7  Car  Car  Npl    119.928
   6    5    8  Car  Car   Cl    120.020
   2    1    9  Car  Car   Cl    119.911
  11    4    5   C3  Car  Car    120.102
   4    5    6  Car  Car  Car    119.956
   4    5    8  Car  Car   Cl    120.024
   3    2   10  Nar  Car   C3    120.035
  10    2    3   C3  Car  Nar    120.035
   2    3    4  Car  Nar  Car    120.000
   5    4   11  Car  Car   C3    120.102


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