SMILES:c1cc(ccc1O)C(CCC)CCC	

FORMULA: C13H20O
MASS: 192.2973
EXACT MASS: 192.1514153
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8274     0.0000 
   C   3    1.4310     0.8256     0.0000 
   C   4    1.6520     1.4313     0.8271     0.0000 
   C   5    1.4272     1.6525     1.4340     0.8305     0.0000 
   C   6    0.8229     1.4305     1.6530     1.4326     0.8240     0.0000 
   O   7    1.4266     2.1839     2.4780     2.1868     1.4277     0.8250 
   C   8    2.1851     1.4294     0.8250     1.4308     2.1885     2.4780 
   C   9    2.4776     1.6502     1.4289     2.1848     2.8629     2.9769 
   C  10    2.8598     2.1832     1.4288     1.6510     2.4815     2.9779 
   C  11    3.5982     2.8582     2.1827     2.4760     3.3065     3.7839 
   C  12    3.3026     2.4752     2.1827     2.8597     3.6016     3.7831 
   C  13    4.2888     3.5965     2.8578     2.9751     3.7873     4.3690 
   C  14    3.7833     2.9746     2.8579     3.5980     4.2919     4.3676 

              O   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    3.3030     0.0000 
   C   9    3.7826     0.8250     0.0000 
   C  10    3.7844     0.8249     1.4289     0.0000 
   C  11    4.5970     1.4288     1.6499     0.8250     0.0000 
   C  12    4.5956     1.4289     0.8250     1.6500     1.4289     0.0000 
   C  13    5.1563     2.1827     2.4750     1.4290     0.8250     2.1827 
   C  14    5.1536     2.1827     1.4289     2.4750     2.1827     0.8250 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    2.8579     0.0000 



ATOMIC CHARGES
   C   1    0.0417055041
   C   2   -0.0009951150
   C   3   -0.0223010762
   C   4   -0.0009951150
   C   5    0.0417055041
   C   6    0.1957252624
   O   7   -0.2865704864
   C   8    0.0223344563
   C   9    0.0043506694
   C  10    0.0043506694
   C  11    0.0003341858
   C  12    0.0003341858
   C  13    0.0000106776
   C  14    0.0000106776


BOND ANGLES
   1    6    7  Car  Car   O3    119.928
   8    3    4   C3  Car  Car    120.001
   3    4    5  Car  Car  Car    119.787
   4    3    8  Car  Car   C3    120.001
   3    8    9  Car   C3   C3    119.997
   3    8   10  Car   C3   C3    119.998
  10    8    9   C3   C3   C3    120.005
   8    9   12   C3   C3   C3    119.997
   9    8   10   C3   C3   C3    120.005
   8   10   11   C3   C3   C3    119.998
   7    6    1   O3  Car  Car    119.928
   6    1    2  Car  Car  Car    120.185


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


CHIRAL ATOMS
   C     8 is chiral: counterclockwise