HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: I50                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0     -11.084  -0.400   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -8.417  -0.400   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -5.749  -0.400   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.082  -0.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.748   0.370   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.415  -0.400   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.919   0.370   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.253  -0.400   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.253  -1.940   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.919  -2.710   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.920  -0.400   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.254   0.370   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.255   1.140   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.587   2.680   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0     -12.418   0.370   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0     -11.084  -1.940   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      -9.750   0.370   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -7.083   0.370   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -4.416   0.370   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      -3.082  -1.940   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.415  -1.940   0.000  0.00  0.00           C+0
HETATM   22 Cl   UNK     0      -1.748  -2.710   0.000  0.00  0.00          Cl+0
HETATM   23  F   UNK     0       0.919   1.910   0.000  0.00  0.00           F+0
HETATM   24  N   UNK     0       3.586   0.370   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       7.587   1.140   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.921   0.370   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.255   2.680   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.921   3.450   0.000  0.00  0.00           C+0
HETATM   29  F   UNK     0       5.484   1.703   0.000  0.00  0.00           F+0
HETATM   30  F   UNK     0       7.024  -0.964   0.000  0.00  0.00           F+0
CONECT    1   16   15   17                                                  
CONECT    2   17   18                                                       
CONECT    3   19   18                                                       
CONECT    4    5   19   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6   23    8                                                  
CONECT    8    7   24    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   21                                                       
CONECT   11   12   24                                                       
CONECT   12   11   30   29   25                                             
CONECT   13   26   27                                                       
CONECT   14   25   28                                                       
CONECT   15    1                                                            
CONECT   16    1                                                            
CONECT   17    2    1                                                       
CONECT   18    3    2                                                       
CONECT   19    3    4                                                       
CONECT   20    4                                                            
CONECT   21    6   10   22                                                  
CONECT   22   21                                                            
CONECT   23    7                                                            
CONECT   24    8   11                                                       
CONECT   25   12   14   26                                                  
CONECT   26   13   25                                                       
CONECT   27   13   28                                                       
CONECT   28   27   14                                                       
CONECT   29   12                                                            
CONECT   30   12                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END