HEADER    PROTEIN                                 15-SEP-23   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Vanillic acid 4-O-glucuronide                     
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-SEP-23         0                                  
HETATM    1  O   UNK     0       0.683   0.388   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.689   1.087   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.981   0.249   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.353   0.948   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.433   2.486   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.142   3.325   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.770   2.625   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.522   3.464   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.644   0.109   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.564  -1.429   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -6.017   0.808   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.441   5.002   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.349   0.388   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.683  -0.382   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.683  -1.922   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.349  -2.692   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.016  -1.922   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.016  -0.382   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.349  -4.232   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.016  -5.002   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.683  -5.002   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.017  -2.692   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.017   0.388   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.349   1.928   0.000  0.00  0.00           O+0
CONECT    1    2   18                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    2    8                                                  
CONECT    8    7   12                                                       
CONECT    9   10   11    4                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8                                                            
CONECT   13   14   18   24                                                  
CONECT   14   15   13   23                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   19   17                                                  
CONECT   17   16   18                                                       
CONECT   18   13   17    1                                                  
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   15                                                            
CONECT   23   14                                                            
CONECT   24   13                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END