HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 580                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       1.115  -0.177   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.210  -1.423   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.115  -2.669   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       2.580  -2.193   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       2.580  -0.653   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.044  -2.669   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.950  -1.423   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.044  -0.177   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.330  -1.423   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.639   1.287   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.867   1.607   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.343   3.072   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.312   4.217   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.194   3.896   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.670   2.432   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.100  -2.757   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.640  -2.757   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.410  -1.423   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.640  -0.090   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -2.100  -0.090   0.000  0.00  0.00           N+0
HETATM   21  F   UNK     0      -0.788   5.681   0.000  0.00  0.00           F+0
HETATM   22  C   UNK     0      -4.410   1.244   0.000  0.00  0.00           C+0
CONECT    1    2    5   10                                                  
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    1    4    8                                                  
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    5    7                                                       
CONECT    9    2   16   20                                                  
CONECT   10    1   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   10   14                                                       
CONECT   16    9   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20    9   19                                                       
CONECT   21   13                                                            
CONECT   22   19                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END