HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: I45                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.099  -5.401   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.432  -6.171   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.432  -7.711   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.099  -8.481   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.235  -7.711   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.235  -6.171   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.099  -3.861   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.235  -3.091   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.235  -1.551   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.569  -0.781   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.569   0.759   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.235   1.529   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       0.099   0.759   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.099  -0.781   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.235   3.069   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.569   3.839   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.569   5.379   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.235   6.149   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.099   5.379   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.099   3.839   0.000  0.00  0.00           C+0
HETATM   21  F   UNK     0       2.766  -5.401   0.000  0.00  0.00           F+0
HETATM   22  F   UNK     0       0.099 -10.021   0.000  0.00  0.00           F+0
HETATM   23 Br   UNK     0      -3.902  -1.551   0.000  0.00  0.00          Br+0
HETATM   24  O   UNK     0      -3.902   1.529   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.432   1.529   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.902   6.149   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -5.236   5.379   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      -3.902   7.689   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      -5.236   8.459   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.432   3.069   0.000  0.00  0.00           C+0
CONECT    1    2    6    7                                                  
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   22                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    1    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   23                                                  
CONECT   11   10   12   24                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12   14   25                                                  
CONECT   14    9   13                                                       
CONECT   15   12   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   15   19   30                                                  
CONECT   21    2                                                            
CONECT   22    4                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   13                                                            
CONECT   26   17   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28                                                            
CONECT   30   20                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END