HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 823                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      16.758   1.604   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       5.747  -4.470   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      18.322  -0.557   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       4.423  -2.154   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      14.053   0.231   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.053  -1.309   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.719  -2.079   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.386  -1.309   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.510   0.701   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.719   1.001   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.510  -1.778   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.386   0.231   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.984  -2.089   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.409  -0.539   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.744  -3.683   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.053   1.771   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.972  -3.693   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.361  -4.495   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.557  -1.221   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.097  -2.034   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      15.037   2.166   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.531  -4.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.084  -3.705   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      18.163   0.975   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.564   3.631   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.411   1.878   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.417  -3.694   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.080  -4.459   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0      14.183  -2.534   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      13.791  -2.687   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      12.453  -0.693   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      10.008  -0.858   0.000  0.00  0.00           H+0
CONECT    1    9   24                                                       
CONECT    2   23   27                                                       
CONECT    3   24                                                            
CONECT    4   27                                                            
CONECT    5    6    9   10   16                                             
CONECT    6    5    7   11   29                                             
CONECT    7    6    8   15   30                                             
CONECT    8    7   12   13   31                                             
CONECT    9    1    5   14   21                                             
CONECT   10    5   12                                                       
CONECT   11    6   14                                                       
CONECT   12    8   10                                                       
CONECT   13    8   17   19   32                                             
CONECT   14    9   11                                                       
CONECT   15    7   18                                                       
CONECT   16    5                                                            
CONECT   17   13   18   22                                                  
CONECT   18   15   17                                                       
CONECT   19   13   20                                                       
CONECT   20   19   23                                                       
CONECT   21    9   25                                                       
CONECT   22   17   23                                                       
CONECT   23    2   20   22                                                  
CONECT   24    1    3   26                                                  
CONECT   25   21                                                            
CONECT   26   24                                                            
CONECT   27    2    4   28                                                  
CONECT   28   27                                                            
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31    8                                                            
CONECT   32   13                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END