HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.021  -6.832   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.289  -6.021   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.646  -6.749   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       1.240  -4.482   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.550  -3.670   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.501  -2.131   0.000  0.00  0.00           C+0
HETATM    7 Br   UNK     0       1.144  -1.403   0.000  0.00  0.00          Br+0
HETATM    8  C   UNK     0       3.811  -1.320   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.784  -0.172   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.382  -2.750   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.906  -2.970   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.859  -1.760   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.287  -0.330   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.763  -0.110   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.240   0.880   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.764   0.660   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.860  -0.990   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.080   0.534   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.510   1.106   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      12.384  -1.210   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.432  -2.420   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.479  -3.630   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.050  -5.060   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.575  -5.280   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.527  -4.070   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      13.146  -6.710   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.955  -3.410   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.383  -1.980   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.430  -3.190   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10   14                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   30                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13    8                                                       
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   30                                                  
CONECT   19   18   20   22   23                                             
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23                                                       
CONECT   23   22   19   24                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   30                                                       
CONECT   30   29   12   18   31                                             
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END