SMILES:N#Cc1ccc(c2ccc(cc2)CC)cc1	

FORMULA: C15H13N
MASS: 207.2704
EXACT MASS: 207.1047994
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7504     0.0000 
   C   3    3.4370     3.0000     0.0000 
   C   4    2.7043     2.2500     0.7500     0.0000 
   C   5    2.2500     1.9859     1.3014     0.7541     0.0000 
   C   6    2.6022     1.9884     1.2956     0.7483     1.3042     0.0000 
   C   7    3.9689     3.4370     0.7504     1.2993     1.9877     1.4958 
   C   8    3.7500     3.4370     0.7504     1.2993     1.5000     1.9818 
   C   9    1.2993     0.7500     2.2500     1.5000     1.3014     1.3029 
   C  10    1.9904     1.3035     1.9872     1.3035     1.5117     0.7542 
   C  11    1.5000     1.3014     1.9859     1.3014     0.7500     1.5066 
   C  12    4.5000     4.1759     1.2993     1.9845     2.2500     2.5949 
   C  13    4.6829     4.1752     1.2972     1.9831     2.5986     2.2458 
   C  14    4.9176     4.5000     1.5000     2.2500     2.7043     2.7012 
   C  15    5.6620     5.2500     2.2500     3.0000     3.4370     3.4337 
   C  16    6.1383     5.6620     2.7033     3.4362     3.9689     3.7458 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.3000     0.0000 
   C   9    2.7043     2.7043     0.0000 
   C  10    2.2500     2.6027     0.7576     0.0000 
   C  11    2.6007     2.2500     0.7541     1.3125     0.0000 
   C  12    1.5008     0.7500     3.4370     3.2729     3.0000     0.0000 
   C  13    0.7500     1.4972     3.4362     3.0000     3.2696     1.2958 
   C  14    1.3014     1.2972     3.7500     3.4394     3.4370     0.7468 
   C  15    1.9859     1.9831     4.5000     4.1779     4.1759     1.2972 
   C  16    2.2500     2.5965     4.9176     4.5000     4.6840     1.9822 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    0.7504     0.0000 
   C  15    1.2993     0.7500     0.0000 
   C  16    1.5000     1.2993     0.7504     0.0000 



ATOMIC CHARGES
   N   1   -0.1908306591
   C   2    0.1004132008
   C   3   -0.0000192958
   C   4    0.0000396584
   C   5    0.0006884485
   C   6    0.0006884485
   C   7   -0.0003225279
   C   8   -0.0003225279
   C   9    0.0684478055
   C  10    0.0102761819
   C  11    0.0102761819
   C  12   -0.0042665738
   C  13   -0.0042665738
   C  14   -0.0221873911
   C  15    0.0263638389
   C  16    0.0050217851


BOND ANGLES
   4    6   10  Car  Car  Car    120.334
   6   10    9  Car  Car  Car    119.037
  14   13    7  Car  Car  Car    120.302
  13    7    3  Car  Car  Car    119.661
  10    6    4  Car  Car  Car    120.334
   6    4    5  Car  Car  Car    120.475
   7   13   14  Car  Car  Car    120.302
  13   14   12  Car  Car  Car    119.876


TORSION ANGLES
   7    3    4    5    179.974
   7    3    4    6      0.026
   8    3    4    5      0.026
   8    3    4    6    179.974
   3    4    5   11    179.974
   6    4    5   11      0.026
   4    5   11    9      0.026
   4    6   10    9      0.026
  13    7    3    4    179.974
  13    7    3    8      0.026
  12    8    3    4    179.974
  12    8    3    7      0.026
  10    9    2    1    179.974
  11    9    2    1      0.026
   6   10    9    2    179.974
   6   10    9   11      0.026
   5   11    9    2    179.974
   5   11    9   10      0.026
  14   12    8    3      0.026
  14   13    7    3      0.026
  15   14   12    8    179.974
  13   14   12    8      0.026
  16   15   14   12    179.974
  16   15   14   13      0.026
  10    6    4    3    179.974
  10    6    4    5      0.026
   7   13   14   12      0.026
   7   13   14   15    179.974