HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 47D                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.492   4.994   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.027   5.470   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       3.122   4.224   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.582   4.224   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       0.812   2.890   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -0.728   2.890   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.498   4.224   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      -1.498   1.557   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -3.038   1.557   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.808   0.223   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -5.348   0.223   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -3.038  -1.111   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.728   0.223   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.812   0.223   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.582   1.557   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.122   1.557   0.000  0.00  0.00           O+0
HETATM   17  S   UNK     0       4.027   2.978   0.000  0.00  0.00           S+0
HETATM   18  C   UNK     0       5.492   3.454   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.825   2.684   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.159   3.454   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.159   4.994   0.000  0.00  0.00           C+0
HETATM   22 Cl   UNK     0       9.493   5.764   0.000  0.00  0.00          Cl+0
HETATM   23  C   UNK     0       6.825   5.764   0.000  0.00  0.00           C+0
CONECT    1   23   18    2                                                  
CONECT    2    1    3                                                       
CONECT    3    2   17    4                                                  
CONECT    4    3    5                                                       
CONECT    5    4   15    6                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6   13    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   12   11                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    8   14                                                       
CONECT   14   13   15                                                       
CONECT   15    5   14   16                                                  
CONECT   16   15                                                            
CONECT   17    3   18                                                       
CONECT   18    1   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23    1   21                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END