HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 521                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.581   3.610   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.753   2.840   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.753   1.300   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.581   0.530   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.914   1.300   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.914   2.840   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.581  -1.010   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       2.256  -4.625   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       4.271  -6.090   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.351  -3.379   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.826  -1.915   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.189  -3.379   0.000  0.00  0.00           C+0
HETATM   13  S   UNK     0      -0.665  -1.915   0.000  0.00  0.00           S+0
HETATM   14  C   UNK     0       1.780  -6.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.026  -6.995   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.026  -8.535   0.000  0.00  0.00           O+0
HETATM   17  S   UNK     0       3.796  -4.625   0.000  0.00  0.00           S+0
HETATM   18  O   UNK     0       5.196  -3.984   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.973  -3.095   0.000  0.00  0.00           O+0
HETATM   20 Cl   UNK     0       3.291  -1.439   0.000  0.00  0.00          Cl+0
CONECT    1    6    2                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    7    5                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    4   11   13                                                  
CONECT    8   17   14   10                                                  
CONECT    9   17   15                                                       
CONECT   10    8   11   12                                                  
CONECT   11    7   10   20                                                  
CONECT   12   10   13                                                       
CONECT   13    7   12                                                       
CONECT   14    8   15                                                       
CONECT   15    9   14   16                                                  
CONECT   16   15                                                            
CONECT   17    8    9   19   18                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   11                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END