SMILES:c1(c(Cl)ccnc1)Br	

FORMULA: C5H3BrClN
MASS: 192.4410
EXACT MASS: 190.9137388
INTERATOMIC DISTANCES

              C   1      C   2      N   3     Br   4     Cl   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7391     0.0000 
   N   3    1.2915     1.4875     0.0000 
  Br   4    0.7468     1.2875     1.9736     0.0000 
  Cl   5    1.2885     0.7458     2.2333     1.4910     0.0000 
   C   6    1.2875     0.7468     1.2864     1.9709     1.2894     0.0000 
   C   7    0.7500     1.2879     0.7411     1.2972     1.9727     1.4859 
   C   8    1.4900     1.2900     0.7447     2.2368     1.9686     0.7417 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    1.2875     0.0000 



ATOMIC CHARGES
   C   1    0.0642485879
   C   2    0.0669101604
   N   3   -0.2417470820
  Br   4   -0.0465010125
  Cl   5   -0.0816292465
   C   6    0.0325659335
   C   7    0.1063663088
   C   8    0.0997863505


BOND ANGLES
   8    6    2  Car  Car  Car    120.143
   6    2    1  Car  Car  Car    120.111
   2    6    8  Car  Car  Car    120.143
   6    8    3  Car  Car  Nar    119.863


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