HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 585                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  S   UNK     0      12.371  -1.093   0.000  0.00  0.00           S+0
HETATM    2  S   UNK     0      16.996  -0.183   0.000  0.00  0.00           S+0
HETATM    3  O   UNK     0       3.080   0.095   0.000  0.00  0.00           O-1
HETATM    4  O   UNK     0       4.865   2.077   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      20.081  -1.093   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      16.226  -2.553   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       8.298  -1.014   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       7.473   1.522   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       4.544   0.571   0.000  0.00  0.00           N+1
HETATM   10  C   UNK     0      18.936  -2.124   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.472  -1.648   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.907  -1.569   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.980  -1.648   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.515  -2.124   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.762  -0.539   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      15.456  -0.183   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.545  -1.569   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.760   0.413   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.153   0.016   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.689  -0.460   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.329   2.553   0.000  0.00  0.00           C+0
CONECT    1   12   14                                                       
CONECT    2   11   16                                                       
CONECT    3    9                                                            
CONECT    4    9                                                            
CONECT    5   10   17   18                                                  
CONECT    6   11   13                                                       
CONECT    7   15   19                                                       
CONECT    8   19   21                                                       
CONECT    9    3    4   20                                                  
CONECT   10    5   11                                                       
CONECT   11    2    6   10                                                  
CONECT   12    1   15                                                       
CONECT   13    6   14   16                                                  
CONECT   14    1   13                                                       
CONECT   15    7   12                                                       
CONECT   16    2   13                                                       
CONECT   17    5                                                            
CONECT   18    5                                                            
CONECT   19    7    8   20                                                  
CONECT   20    9   19                                                       
CONECT   21    8                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   42    0
END