HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.317  -0.570   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.287  -1.715   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.763  -3.179   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       0.219  -1.394   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.250  -2.539   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.756  -2.219   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.787  -3.363   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.327  -3.363   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.357  -2.219   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.863  -2.539   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       8.339  -4.003   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       7.309  -5.148   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.802  -4.828   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       4.557  -5.733   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.557  -7.273   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.223  -8.043   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.890  -8.043   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.311  -4.828   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.804  -5.148   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.774  -4.003   0.000  0.00  0.00           C+0
HETATM   21 Br   UNK     0      -0.732  -4.324   0.000  0.00  0.00          Br+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   20                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8   14                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   14    7   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19    5   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END