HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 4-Sinapoylquinic acid                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.964 -12.421   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.630 -11.651   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.297 -12.421   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.037 -11.651   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.371 -12.421   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.704 -11.651   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.038 -12.421   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.372 -11.651   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.706 -12.421   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.372 -10.111   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.705  -9.341   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.705  -7.801   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.372  -7.031   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.039  -7.031   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.373  -7.801   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.899  -6.354   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.373  -9.341   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.039 -10.111   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.039 -11.651   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      11.889  -8.068   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.879  -6.888   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      12.416  -9.515   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.371 -13.961   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.037 -14.731   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.037 -16.271   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -0.297 -17.041   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.297 -13.961   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.630 -14.731   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   27                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   23                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   12   18   10                                                  
CONECT   12   11   14   13                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17   20                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   11   19                                                  
CONECT   19   18                                                            
CONECT   20   21   22   15                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    5   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24    3   28                                                  
CONECT   28   27                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END