SMILES:c1(cc(ccc1)C)O	

FORMULA: C7H8O
MASS: 108.1378
EXACT MASS: 108.0575149
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8938     0.0000 
   C   3    1.5480     0.8938     0.0000 
   C   4    1.7875     1.5480     0.8937     0.0000 
   C   5    1.5480     1.7875     1.5480     0.8938     0.0000 
   C   6    0.8937     1.5480     1.7875     1.5480     0.8938     0.0000 
   C   7    2.3646     1.5480     0.8938     1.5480     2.3646     2.6812 
   O   8    0.8938     1.5481     2.3647     2.6813     2.3647     1.5480 

              C   7      O   8
              ----------------------
   C   7    0.0000 
   O   8    3.0961     0.0000 



ATOMIC CHARGES
   C   1    0.1954312515
   C   2    0.0377760550
   C   3   -0.0186724176
   C   4   -0.0040523918
   C   5    0.0029590939
   C   6    0.0420074560
   C   7    0.0311318381
   O   8   -0.2865808850


BOND ANGLES
   6    1    2  Car  Car  Car    120.002
   1    2    3  Car  Car  Car    119.997
   8    1    2   O3  Car  Car    120.000
   1    2    3  Car  Car  Car    119.997
   7    3    4   C3  Car  Car    120.002
   3    4    5  Car  Car  Car    120.002
   2    1    6  Car  Car  Car    120.002
   8    1    6   O3  Car  Car    119.999
   4    3    7  Car  Car   C3    120.002
   2    1    8  Car  Car   O3    120.000
   6    1    8  Car  Car   O3    119.999


TORSION ANGLES
   6    1    2    3      0.026
   8    1    2    3    179.974
   1    2    3    4      0.026
   1    2    3    7    179.974
   2    3    4    5      0.026
   7    3    4    5    179.974
   3    4    5    6      0.026
   4    5    6    1      0.026
   2    1    6    5      0.026
   8    1    6    5    179.974