SMILES:c1(cc(C(F)(F)F)ccc1Cl)C(=N)N	

FORMULA: C8H6ClF3N2
MASS: 222.5948
EXACT MASS: 222.0171605
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.0557     0.0000 
   C   3    0.7792     1.3443     0.0000 
   C   4    0.7846     2.7030     1.3587     0.0000 
   C   5    1.3464     0.7792     0.7799     2.0677     0.0000 
   C   6    0.7882     2.3417     1.3608     1.3542     1.5625     0.0000 
   N   7    1.3768     3.4195     2.0911     0.8000     2.7231     1.5729 
   C   8    1.5743     1.3677     1.3751     2.3587     0.8005     1.3584 
   C   9    1.3627     2.0794     1.5800     2.0725     1.3664     0.7815 
   F  10    2.6182     0.7739     2.0036     3.3363     1.2736     2.7101 
   F  11    2.1175     0.7539     1.3388     2.5912     1.2060     2.6225 
   F  12    2.4180     0.6959     1.6414     2.9345     1.3526     2.8596 
   N  13    1.3585     2.8259     1.5764     0.7815     2.3562     2.0725 
  Cl  14    1.3644     3.1250     2.0767     1.5644     2.3458     0.7833 

              N   7      C   8      C   9      F  10      F  11      F  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    2.8408     0.0000 
   C   9    2.3541     0.7876     0.0000 
   F  10    3.9938     1.4460     2.2336     0.0000 
   F  11    3.3735     1.9690     2.5666     1.4614     0.0000 
   F  12    3.7083     2.0442     2.7131     1.2536     0.3691     0.0000 
   N  13    1.3629     2.8445     2.7208     3.5491     2.5018     2.8695 
  Cl  14    1.3543     2.0704     1.3484     3.4715     3.3814     3.6327 

              N  13     Cl  14
              ----------------------
   N  13    0.0000 
  Cl  14    2.3458     0.0000 



ATOMIC CHARGES
   C   1    0.1079543770
   C   2    0.4185818880
   C   3    0.0127015194
   C   4    0.4774217864
   C   5    0.0717259732
   C   6    0.0653811285
   N   7    0.2047371097
   C   8    0.0047228456
   C   9    0.0115941686
   F  10   -0.1658577655
   F  11   -0.1658577655
   F  12   -0.1658577655
   N  13    0.2047371097
  Cl  14   -0.0819846097


BOND ANGLES
   8    5    3  Car  Car  Car    120.929
   5    3    1  Car  Car  Car    119.438
   3    5    8  Car  Car  Car    120.929
   5    8    9  Car  Car  Car    118.724


TORSION ANGLES
  10    2    5    3    179.974
  10    2    5    8      0.026
  11    2    5    3      0.026
  11    2    5    8    179.974
  12    2    5    3      0.026
  12    2    5    8    179.974
   5    3    1    4    179.974
   5    3    1    6      0.026
   7    4    1    3    179.974
   7    4    1    6      0.026
  13    4    1    3      0.026
  13    4    1    6    179.974
   2    5    3    1    179.974
   8    5    3    1      0.026
   9    6    1    3      0.026
   9    6    1    4    179.974
  14    6    1    3    179.974
  14    6    1    4      0.026
   5    8    9    6      0.026
   8    9    6    1      0.026
   8    9    6   14    179.974
   2    5    8    9    179.974
   3    5    8    9      0.026


CHIRAL ATOMS
   C     2 is chiral: counterclockwise