HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 864                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.124  -0.322   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.251   1.213   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.390  -1.199   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.263  -2.734   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.529  -3.611   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.922  -2.953   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.048  -1.418   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.782  -0.541   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.441  -0.760   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       9.707  -1.637   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       4.643   1.871   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.985   2.090   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.732  -0.979   0.000  0.00  0.00           C+0
HETATM   14  P   UNK     0       0.466  -0.102   0.000  0.00  0.00           P+0
HETATM   15  C   UNK     0      -0.800   0.774   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.673   2.309   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.939   3.186   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.719   2.967   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -2.193   0.117   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -3.459   0.994   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.332   2.529   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.851   0.336   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -6.117   1.213   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.343   1.163   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -0.411  -1.368   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -7.509   0.555   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.775   1.432   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -10.168   0.774   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.294  -0.760   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -9.028  -1.637   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -7.636  -0.979   0.000  0.00  0.00           C+0
HETATM   32  H   UNK     0       3.034  -1.408   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0       0.185   1.240   0.000  0.00  0.00           H+0
CONECT    1    3   13    2   32                                             
CONECT    2    1   12   11                                                  
CONECT    3    1    8    4                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    9    8                                                  
CONECT    8    3    7                                                       
CONECT    9    7   10                                                       
CONECT   10    9                                                            
CONECT   11    2                                                            
CONECT   12    2                                                            
CONECT   13    1   14                                                       
CONECT   14   13   24   15   25                                             
CONECT   15   14   16   19   33                                             
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   15   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   26                                                       
CONECT   24   14                                                            
CONECT   25   14                                                            
CONECT   26   23   31   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   26   30                                                       
CONECT   32    1                                                            
CONECT   33   15                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   68    0
END