REMARK       ipomeanol docked conformation for expoxidation
HETATM    1  C1          0      65.331  21.312  59.476 654.77  0.01
HETATM    2  C2          0      64.211  20.788  58.830 654.74  0.08
HETATM    3  C3          0      66.338  20.504  58.959 654.69  0.00
HETATM    4  C4          0      65.680  19.634  58.095 654.88  0.10
HETATM    5  O1          0      64.469  19.852  58.072 654.83  0.20
HETATM    6  C5          0      67.658  20.566  59.244 654.85  0.03
HETATM    7  O2          0      68.240  21.628  59.247 654.94  0.03
HETATM    8  C6          0      68.389  19.270  59.567 654.88  0.01
HETATM    9  C7          0      69.634  19.462  60.449 654.85  0.00
HETATM   10  C8          0      70.905  19.720  59.626 654.90  0.06
HETATM   11  C9          0      72.182  19.350  60.390 654.79  0.01
HETATM   12  O3          0      70.851  18.949  58.451 655.23  0.27
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