HEADER    PROTEIN                                 07-JUN-21   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Tricyclodehydroisohumulone                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUN-21         0                                  
HETATM    1  O   UNK     0       8.956  -3.900   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      10.083   1.354   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       7.101  -4.599   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      12.994   0.429   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.474  -0.858   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.953  -0.617   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.717   0.896   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.165   0.508   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.715  -2.379   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.082   1.590   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.254  -1.989   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.840  -0.167   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.343  -3.078   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.020   2.269   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.195   0.657   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.227  -2.615   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.921  -1.250   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.951   2.987   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.442  -1.009   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.755   3.626   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.729   3.951   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.412  -2.206   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.933  -1.965   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.902  -3.162   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      15.485  -0.527   0.000  0.00  0.00           C+0
HETATM   26  H   UNK     0       5.432  -0.374   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       8.981   2.493   0.000  0.00  0.00           H+0
HETATM   28  O   UNK     0      10.929  -3.986   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2   12                                                            
CONECT    3   13                                                            
CONECT    4   19                                                            
CONECT    5    6    8    9   12                                             
CONECT    6    5    7   11   26                                             
CONECT    7    6   10   14   15                                             
CONECT    8    5   10                                                       
CONECT    9    1    5   13   16                                             
CONECT   10    7    8   18   27                                             
CONECT   11    6   13                                                       
CONECT   12    2    5   17                                                  
CONECT   13    3    9   11                                                  
CONECT   14    7                                                            
CONECT   15    7                                                            
CONECT   16    9   17   28                                                  
CONECT   17   16   19   12                                                  
CONECT   18   10   20   21                                                  
CONECT   19    4   17   22                                                  
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26    6                                                            
CONECT   27   10                                                            
CONECT   28   16                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END