SMILES:c1(c(c(cc(c1)C)C)O)C(C)(C)C	

FORMULA: C12H18O
MASS: 178.2707
EXACT MASS: 178.1357652
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4152     0.0000 
   C   3    2.4540     1.4298     0.0000 
   C   4    1.4343     2.4598     3.7644     0.0000 
   C   5    1.4284     2.4799     2.8575     2.4695     0.0000 
   C   6    2.8478     2.4812     1.4255     4.2821     2.4864     0.0000 
   C   7    2.4770     2.8714     2.4769     3.7857     1.4426     1.4356 
   O   8    2.4758     1.4250     2.4657     2.8593     3.7878     3.7753 
   C   9    3.7774     2.4919     1.4424     4.9516     4.2999     2.4706 
   C  10    2.8667     3.6849     5.0761     1.4429     3.8542     5.7091 
   C  11    1.9348     2.0168     3.4432     1.4250     3.3402     4.3970 
   C  12    2.2801     3.6239     4.7243     1.4359     2.5120     4.8607 
   C  13    3.7802     4.2965     3.7826     4.9524     2.4829     2.4841 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    4.2962     0.0000 
   C   9    3.7879     2.8599     0.0000 
   C  10    5.2145     3.6206     6.1308     0.0000 
   C  11    4.3642     1.6828     4.3009     1.9381     0.0000 
   C  12    3.9531     4.2633     6.0549     1.9376     2.8492     0.0000 
   C  13    1.4251     5.7214     4.9547     6.3256     5.7076     4.7889 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.0154830897
   C   2    0.1876466742
   C   3    0.0164364686
   C   4    0.0219524804
   C   5   -0.0054069537
   C   6   -0.0053761339
   C   7   -0.0222756196
   O   8   -0.2872477867
   C   9    0.0343576468
   C  10    0.0044737849
   C  11    0.0044737849
   C  12    0.0044737849
   C  13    0.0310087795


BOND ANGLES
   6    3    2  Car  Car  Car    120.681
   3    2    1  Car  Car  Car    119.209
   2    3    6  Car  Car  Car    120.681
   3    6    7  Car  Car  Car    119.933


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


CHIRAL ATOMS
   C     4 is chiral: counterclockwise