SMILES:C1(C(C)CCCC1)O	

FORMULA: C7H14O
MASS: 114.1855
EXACT MASS: 114.1044651
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7500     0.0000 
   O   3    0.7463     1.2921     0.0000 
   C   4    1.2993     0.7504     1.4917     0.0000 
   C   5    0.7463     1.2921     1.3000     1.9787     0.0000 
   C   6    1.3065     0.7546     1.9849     1.3000     1.5000     0.0000 
   C   7    1.4936     1.2917     2.2399     1.9776     1.2879     0.7475 
   C   8    1.2917     1.4936     1.9760     2.2441     0.7391     1.3024 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7500     0.0000 



ATOMIC CHARGES
   C   1    0.1519340300
   C   2    0.0304446618
   O   3   -0.2231513947
   C   4    0.0026024405
   C   5    0.0328805342
   C   6    0.0025216419
   C   7    0.0001647461
   C   8    0.0026033401


BOND ANGLES
   7    6    2   C3   C3   C3    118.622
   6    2    1   C3   C3   C3    120.528
   2    6    7   C3   C3   C3    118.622
   6    7    8   C3   C3   C3    120.851


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


CHIRAL ATOMS
   C     1 is chiral: counterclockwise
   C     2 is chiral: counterclockwise