HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 839                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  S   UNK     0       8.415  -2.457   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0       8.415   0.623   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       7.645  -1.123   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       9.185  -3.790   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      11.082   2.163   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      11.082   0.623   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       9.748  -1.687   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      10.312   5.537   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.852   5.537   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.352   4.333   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.812   4.333   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.695   2.832   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.470   2.832   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.748  -0.147   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.081  -3.227   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.748  -2.457   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.081  -4.767   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.414  -4.767   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.414  -3.227   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.748  -5.537   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.080  -5.537   0.000  0.00  0.00           C+0
CONECT    1    3    4    7   15                                             
CONECT    2   14                                                            
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    6   12   13                                                  
CONECT    6    5   14                                                       
CONECT    7    1   14                                                       
CONECT    8    9   10                                                       
CONECT    9    8   11                                                       
CONECT   10    8   12                                                       
CONECT   11    9   13                                                       
CONECT   12    5   10                                                       
CONECT   13    5   11                                                       
CONECT   14    2    6    7                                                  
CONECT   15    1   16   17                                                  
CONECT   16   15   19                                                       
CONECT   17   15   20                                                       
CONECT   18   19   20   21                                                  
CONECT   19   16   18                                                       
CONECT   20   17   18                                                       
CONECT   21   18                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END