HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: MRX                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Br   UNK     0       4.443   0.869   0.000  0.00  0.00          Br+0
HETATM    2  C   UNK     0       3.110   1.639   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.776   0.869   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.110   3.179   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.776   3.949   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.442   3.179   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -1.022   3.654   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -1.928   2.409   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.468   2.409   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -4.238   1.075   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      -4.238   3.742   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.022   1.163   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.442   1.639   0.000  0.00  0.00           C+0
HETATM   14  S   UNK     0      -1.498  -0.302   0.000  0.00  0.00           S+0
HETATM   15  O   UNK     0      -0.034  -0.778   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -2.963   0.174   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -1.974  -1.767   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -1.069  -3.012   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.974  -4.258   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.439  -3.782   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.439  -2.242   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    3    1    4                                                  
CONECT    3    2   13                                                       
CONECT    4    2    5                                                       
CONECT    5    6    4                                                       
CONECT    6    5   13    7                                                  
CONECT    7    8    6                                                       
CONECT    8    7   12    9                                                  
CONECT    9   10    8   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8   13   14                                                  
CONECT   13    6   12    3                                                  
CONECT   14   12   16   17   15                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   17   20                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END