HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 825                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       0.545  -3.696   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.788  -2.926   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.122  -3.696   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.456  -2.926   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.789  -3.696   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.789  -5.236   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.456  -6.006   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.122  -5.236   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.788  -1.386   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.122  -0.616   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.122   0.924   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.456   1.694   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.456  -1.386   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.789  -0.616   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.789   0.924   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.545  -0.616   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.545   0.924   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.879   1.694   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.879   3.234   0.000  0.00  0.00           C+0
HETATM   20 Br   UNK     0       3.213   4.004   0.000  0.00  0.00          Br+0
HETATM   21  C   UNK     0       0.545   4.004   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.788   3.234   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.788   1.694   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.545   5.544   0.000  0.00  0.00           C+0
HETATM   25  F   UNK     0      -0.995   5.544   0.000  0.00  0.00           F+0
HETATM   26  F   UNK     0       2.085   5.544   0.000  0.00  0.00           F+0
HETATM   27  P   UNK     0       0.545   7.084   0.000  0.00  0.00           P+0
HETATM   28  O   UNK     0       0.545   8.624   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -0.995   7.084   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.085   7.084   0.000  0.00  0.00           O+0
HETATM   31  H   UNK     0       0.156  -1.931   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    9    3                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3                                                       
CONECT    9    2   16   31   10                                             
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11   15                                                       
CONECT   13   10   14                                                       
CONECT   14   13   15                                                       
CONECT   15   12   14                                                       
CONECT   16    9   17                                                       
CONECT   17   16   23   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   21   20                                                  
CONECT   20   19                                                            
CONECT   21   19   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   17   22                                                       
CONECT   24   21   26   27   25                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   30   28   29                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27                                                            
CONECT   31    9                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END