SMILES:n1c(c(cnc1Cl)Br)Cl	

FORMULA: C4HBrCl2N2
MASS: 227.8741
EXACT MASS: 225.8700154
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8305     0.0000 
   C   3    0.8333     1.4393     0.0000 
   C   4    1.4333     0.8275     1.6538     0.0000 
   N   5    1.4393     1.6583     0.8305     1.4280     0.0000 
   C   6    1.6579     1.4352     1.4333     0.8250     0.8233     0.0000 
  Cl   7    1.4321     0.8250     2.1927     1.4352     2.4833     2.1899 
  Br   8    2.1851     1.4250     2.4812     0.8275     2.1865     1.4352 
  Cl   9    1.4352     2.1919     0.8233     2.4771     1.4333     2.1851 

             Cl   7     Br   8     Cl   9
              ---------------------------------
  Cl   7    0.0000 
  Br   8    1.6466     0.0000 
  Cl   9    2.8673     3.3045     0.0000 



ATOMIC CHARGES
   N   1   -0.2046154303
   C   2    0.1484471990
   C   3    0.2247120840
   C   4    0.0821939546
   N   5   -0.2146231478
   C   6    0.1104525148
  Cl   7   -0.0606729489
  Br   8   -0.0448976277
  Cl   9   -0.0409965978


BOND ANGLES
   6    4    2  Car  Car  Car    120.566
   4    2    1  Car  Car  Nar    119.652
   2    4    6  Car  Car  Car    120.566
   4    6    5  Car  Car  Nar    120.069


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