SMILES:c1(cccc(c1)CO)CC1CC1	

FORMULA: C11H14O
MASS: 162.2283
EXACT MASS: 162.1044651
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8273     0.0000 
   C   3    1.4308     0.8255     0.0000 
   C   4    1.6520     1.4313     0.8272     0.0000 
   C   5    1.4272     1.6525     1.4341     0.8306     0.0000 
   C   6    0.8228     1.4305     1.6530     1.4328     0.8241     0.0000 
   C   7    0.8251     1.4303     2.1842     2.4770     2.1804     1.4264 
   C   8    1.4290     1.6500     2.4755     2.9762     2.8562     2.1803 
   C   9    2.1807     2.4775     2.1880     1.4339     0.8250     1.4283 
   O  10    2.8561     2.9772     2.4801     1.6530     1.4289     2.1820 
   C  11    2.2507     2.3965     3.2130     3.7724     3.6779     2.9912 
   C  12    1.9722     1.8402     2.6051     3.2700     3.3434     2.7882 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    2.8547     3.5936     0.0000 
   O  10    3.5934     4.2851     0.8250     0.0000 
   C  11    1.5907     0.8217     4.4108     5.1068     0.0000 
   C  12    1.5917     0.8236     4.1366     4.7497     0.8250     0.0000 




ATOMIC CHARGES
   C   1   -0.0224222533
   C   2   -0.0042844518
   C   3   -0.0005662130
   C   4   -0.0017645901
   C   5    0.0102597585
   C   6   -0.0060114319
   C   7    0.0263336123
   C   8    0.0043534075
   C   9    0.2085847432
   O  10   -0.2151722225
   C  11    0.0003448206
   C  12    0.0003448206


BOND ANGLES
   7    1    2   C3  Car  Car    119.906
   1    2    3  Car  Car  Car    119.930
   2    1    7  Car  Car   C3    119.906
   1    7    8  Car   C3   C3    119.996
   6    5    9  Car  Car   C3    120.020
   5    9   10  Car   C3   O3    119.999
   9    5    6   C3  Car  Car    120.020
   5    6    1  Car  Car  Car    120.126


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise