HEADER    PROTEIN                                 15-OCT-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-OCT-18         0                                  
HETATM    1  C   UNK     0      -5.853   2.346   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.856   0.801   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.525   0.030   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.528   3.117   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -0.540   0.225   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       0.080   1.645   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.623   2.933   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.008  -0.137   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.182   0.792   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.188   2.353   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -2.065   3.252   0.000  0.00  0.00           N+0
HETATM   12  O   UNK     0       0.301   4.164   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.618   1.713   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.447   0.415   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.985   0.483   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.736  -0.951   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.813  -0.815   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.352  -0.747   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.180  -2.046   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       7.062   0.619   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.764  -1.484   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.306  -1.497   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.063  -2.837   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.279  -4.164   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.732  -4.144   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.982  -2.803   0.000  0.00  0.00           C+0
HETATM   27 Cl   UNK     0      -0.442  -2.784   0.000  0.00  0.00          Cl+0
HETATM   28 Br   UNK     0      -7.180   0.033   0.000  0.00  0.00          Br+0
CONECT    1    2    4                                                       
CONECT    2    1    3   28                                                  
CONECT    3    2    9                                                       
CONECT    4   10    1                                                       
CONECT    5    6    8                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6   11   12                                                  
CONECT    8    5    9   21                                                  
CONECT    9   10    8    3                                                  
CONECT   10    4    9   11                                                  
CONECT   11   10    7                                                       
CONECT   12    7                                                            
CONECT   13   14    6                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   17                                                       
CONECT   16   14                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   22   26    8                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21   27                                                  
CONECT   27   26                                                            
CONECT   28    2                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   60    0
END