HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 509                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.164   5.601   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.170   4.831   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.170   3.291   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.164   2.521   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.498   3.291   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.498   4.831   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.164   0.981   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.082   0.076   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.394  -1.389   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.934  -1.389   0.000  0.00  0.00           C+0
HETATM   11  S   UNK     0      -2.410   0.076   0.000  0.00  0.00           S+0
HETATM   12  C   UNK     0      -2.839  -2.634   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.371  -2.474   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.213  -4.041   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.511  -2.634   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.043  -2.474   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.948  -3.719   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.479  -3.558   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.322  -5.126   0.000  0.00  0.00           O+0
HETATM   20 Br   UNK     0       1.547   0.552   0.000  0.00  0.00          Br+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    4    8   11                                                  
CONECT    8    7    9   20                                                  
CONECT    9    8   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11    7   10                                                       
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    8                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END