SMILES:n1ccc(c(c1)NCc1ccccc1)Cl	

FORMULA: C12H11ClN2
MASS: 218.6821
EXACT MASS: 218.0610760
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.5230     0.0000 
   C   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     1.5231     0.0000 
   C   6    1.5231     2.6379     3.0460     2.6379     1.5229     0.0000 
   N   7    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
  Cl   8    4.5690     4.0294     2.6379     1.5229     2.6379     4.0294 
   C   9    4.5690     5.4912     5.2758     4.0295     2.6378     3.0459 
   C  10    6.0920     6.9793     6.6386     5.2759     4.0295     4.5689 
   C  11    6.9793     7.6150     6.9793     5.4913     4.5690     5.4912 
   C  12    8.4797     9.1380     8.4797     6.9793     6.0920     6.9792 
   C  13    9.1380     9.9869     9.5111     8.0589     6.9792     7.6149 
   C  14    8.4797     9.5111     9.2640     7.9137     6.6385     6.9792 
   C  15    6.9793     8.0589     7.9137     6.6386     5.2758     5.4912 

              N   7     Cl   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
  Cl   8    3.0460     0.0000 
   C   9    1.5230     4.5690     0.0000 
   C  10    2.6379     5.4913     1.5230     0.0000 
   C  11    3.0460     5.2759     2.6379     1.5230     0.0000 
   C  12    4.5690     6.6386     4.0295     2.6379     1.5230     0.0000 
   C  13    5.4912     7.9137     4.5690     3.0460     2.6378     1.5230 
   C  14    5.2758     8.0589     4.0295     2.6378     3.0459     2.6379 
   C  15    4.0295     6.9793     2.6379     1.5230     2.6379     3.0460 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.5230     0.0000 
   C  15    2.6379     1.5230     0.0000 



ATOMIC CHARGES
   N   1   -0.2409143612
   C   2    0.0998449789
   C   3    0.0333689618
   C   4    0.0755337098
   C   5    0.0953224581
   C   6    0.1157459247
   N   7   -0.2303904753
  Cl   8   -0.0807997929
   C   9    0.1386101199
   C  10   -0.0006562401
   C  11   -0.0025550557
   C  12   -0.0002682518
   C  13   -0.0000186687
   C  14   -0.0002682518
   C  15   -0.0025550557


BOND ANGLES
   8    4    5   Cl  Car  Car    120.001
   4    5    6  Car  Car  Car    120.001
   4    5    7  Car  Car  Npl    119.997
   7    5    6  Npl  Car  Car    120.002
   5    6    1  Car  Car  Nar    120.000
   6    5    7  Car  Car  Npl    120.002
   5    7    9  Car  Npl   C3    119.998
   5    4    8  Car  Car   Cl    120.001


TORSION ANGLES
   6    1    2    3      0.026
   1    2    3    4      0.026
   2    3    4    5      0.026
   2    3    4    8    179.974
   3    4    5    6      0.026
   3    4    5    7    179.974
   8    4    5    6    179.974
   8    4    5    7      0.026
   4    5    6    1      0.026
   7    5    6    1    179.974
   5    6    1    2      0.026
   4    5    7    9    179.974
   6    5    7    9      0.026
   5    7    9   10    179.974
   7    9   10   11      0.026
   7    9   10   15    179.974
   9   10   11   12    179.974
  15   10   11   12      0.026
  10   11   12   13      0.026
  11   12   13   14      0.026
  12   13   14   15      0.026
  13   14   15   10      0.026
  14   15   10    9    179.974
  14   15   10   11      0.026