REMARK       perillaketone docked conformation for expoxidation
HETATM    1  C1          0      65.412  21.282  59.530 -0.60  0.01    25.000
HETATM    2  C2          0      64.297  20.747  58.883 -0.62  0.08    170.000
HETATM    3  C3          0      66.435  20.535  58.957 -0.67  0.00    13.000
HETATM    4  C4          0      65.791  19.681  58.069 -0.51  0.10    182.000
HETATM    5  O1          0      64.572  19.855  58.078 -0.56  0.20    323.000
HETATM    6  C5          0      67.759  20.632  59.217 -0.49  0.03    182.000
HETATM    7  O2          0      68.316  21.705  59.205 -0.44  0.03    283.000
HETATM    8  C6          0      68.525  19.350  59.526 -0.49  0.01    74.000
HETATM    9  C7          0      70.026  19.426  59.199 -0.60  0.00     1.000
HETATM   10  C8          0      70.974  18.934  60.312 -0.56  0.00    20.000
HETATM   11  C9          0      70.252  18.716  61.652 -0.53  0.00    10.000
HETATM   12  C10         0      72.194  19.852  60.500 -0.60  0.00    10.000
CONECT    1    2    3                        
CONECT    2    5                             
CONECT    3    4    6                        
CONECT    4    5                             
CONECT    6    7    8                        
CONECT    8    9                             
CONECT    9   10                             
CONECT   10   11   12                        
END