SMILES:c1(ccc2c(c1)cc(nc2)C)Cl	

FORMULA: C10H8ClN
MASS: 177.6302
EXACT MASS: 177.0345269
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5231     0.0000 
   C   3    2.6380     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    2.6379     3.0460     2.6380     1.5231     0.0000 
   C   6    1.5230     2.6379     3.0460     2.6379     1.5229     0.0000 
   C   7    4.5691     4.0295     2.6379     1.5230     2.6380     4.0295 
   N   8    5.4913     5.2758     4.0294     2.6379     3.0460     4.5689 
   C   9    5.2758     5.4913     4.5690     3.0460     2.6379     4.0294 
   C  10    4.0295     4.5690     4.0295     2.6379     1.5230     2.6379 
   C  11    6.6386     6.9793     6.0920     4.5690     4.0295     5.2758 
  Cl  12    1.5230     2.6379     4.0295     4.5690     4.0295     2.6380 

              C   7      N   8      C   9      C  10      C  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.5230     0.0000 
   C   9    2.6380     1.5231     0.0000 
   C  10    3.0460     2.6379     1.5229     0.0000 
   C  11    4.0295     2.6379     1.5230     2.6379     0.0000 
  Cl  12    6.0921     6.9793     6.6386     5.2759     7.9138     0.0000 




ATOMIC CHARGES
   C   1    0.0576733076
   C   2    0.0114432794
   C   3    0.0024111621
   C   4    0.0192122469
   C   5    0.0035077175
   C   6    0.0114806904
   C   7    0.0983980489
   N   8   -0.2481395440
   C   9    0.0593938289
   C  10    0.0147744654
   C  11    0.0520892463
  Cl  12   -0.0822444494


BOND ANGLES
  12    1    2   Cl  Car  Car    119.996
   1    2    3  Car  Car  Car    119.999
   7    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    119.998
   5    4    7  Car  Car  Car    119.999
   4    7    8  Car  Car  Nar    120.000
  11    9   10   C3  Car  Car    120.006
   9   10    5  Car  Car  Car    120.006
  10    9   11  Car  Car   C3    120.006
   2    1   12  Car  Car   Cl    119.996


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