HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 8-O-4-Diferulic acid                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  C   UNK     0      12.506  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.505  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.505  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.838  -3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.172  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.172  -1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.838  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.171  -3.850   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       7.171  -0.770   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.837  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.839  -1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.173  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      16.507  -1.540   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      15.173   0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.800  -6.490   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.799  -5.720   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.799  -4.180   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.132  -3.410   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.466  -4.180   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.466  -5.720   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.132  -6.490   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.465  -3.410   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.465  -6.490   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.869  -5.720   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.133  -5.720   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.467  -6.490   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.801  -5.720   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.467  -8.030   0.000  0.00  0.00           O+0
CONECT    1    6   11                                                       
CONECT    2    7    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    2    6                                                       
CONECT    8    3   25                                                       
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11    1   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   20   25                                                       
CONECT   16   21   17   23                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   15   19   21                                                  
CONECT   21   16   20                                                       
CONECT   22   17                                                            
CONECT   23   16   24                                                       
CONECT   24   23                                                            
CONECT   25   15   26    8                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END