HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 694                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.778   3.370   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.778   4.910   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.445   5.680   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.889   4.910   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.889   3.370   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.445   2.600   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.445   1.060   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.801   0.155   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.325  -1.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.215  -1.310   0.000  0.00  0.00           C+0
HETATM   11  S   UNK     0      -1.690   0.155   0.000  0.00  0.00           S+0
HETATM   12  C   UNK     0      -2.120  -2.556   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -3.651  -2.395   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.494  -3.963   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.231  -2.556   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.604  -3.963   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.509  -5.209   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.883  -6.615   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.041  -5.048   0.000  0.00  0.00           O+0
HETATM   20 Br   UNK     0       2.266   0.631   0.000  0.00  0.00          Br+0
HETATM   21  O   UNK     0      -0.445   7.220   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    6    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                                                            
CONECT   21    3                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END