HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Rotundone                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      -0.939   1.402   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.463  -0.063   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.369  -1.309   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.463  -2.555   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.939  -4.019   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.001  -2.079   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.001  -0.539   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.205   0.421   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.706   0.079   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.375  -1.309   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.706  -2.696   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.205  -3.039   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.862  -4.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.667   1.283   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.104   2.716   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.189   1.053   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    6   13                                                  
CONECT   13   12                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END