HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: S58                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.045   2.683   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.799   1.778   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.290   1.778   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.755   2.254   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.369  -0.932   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.162  -0.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.067  -2.017   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.441  -3.424   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.091  -3.585   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.996  -2.339   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.334   2.254   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.014   3.760   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.451   4.236   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.595   3.206   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.275   1.699   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.811   1.224   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -2.275   0.313   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -3.815   0.313   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       2.251  -5.916   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0       2.592  -3.765   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.100  -5.575   0.000  0.00  0.00           O+0
HETATM   22 Br   UNK     0       4.060   3.682   0.000  0.00  0.00          Br+0
HETATM   23  F   UNK     0      -7.220   2.730   0.000  0.00  0.00           F+0
HETATM   24  F   UNK     0      -6.231   0.789   0.000  0.00  0.00           F+0
HETATM   25  F   UNK     0      -5.279   3.719   0.000  0.00  0.00           F+0
HETATM   26  S   UNK     0       1.346  -4.670   0.000  0.00  0.00           S+0
CONECT    1    2    3                                                       
CONECT    2    1   11   17                                                  
CONECT    3    1    4   18                                                  
CONECT    4    3   23   24   25                                             
CONECT    5    6   10   17                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   26                                                  
CONECT    9    8   10                                                       
CONECT   10    5    9                                                       
CONECT   11    2   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   11   15                                                       
CONECT   17    2    5   18                                                  
CONECT   18    3   17                                                       
CONECT   19   26                                                            
CONECT   20   26                                                            
CONECT   21   26                                                            
CONECT   22   14                                                            
CONECT   23    4                                                            
CONECT   24    4                                                            
CONECT   25    4                                                            
CONECT   26    8   19   20   21                                             
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END