HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: JJ3                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.260  -3.441   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.988  -2.084   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.177  -0.775   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.638  -0.823   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.826   0.486   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.713   0.438   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.441  -0.919   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.936  -1.286   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.050  -2.822   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.624  -3.404   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.630  -2.228   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.910  -2.180   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.721  -3.489   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.524   1.747   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.796   3.104   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.607   4.413   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.147   4.365   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.958   5.674   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.875   3.008   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.063   1.699   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.905   0.582   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.094   1.891   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.822   3.248   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.071  -4.750   0.000  0.00  0.00           O+0
HETATM   25  H   UNK     0       0.198   1.398   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0       2.109  -0.058   0.000  0.00  0.00           H+0
HETATM   27  H   UNK     0       0.155  -3.210   0.000  0.00  0.00           H+0
CONECT    1    2   13   24                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   14   25                                             
CONECT    7    6    8   11   26                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11    7   10   12   27                                             
CONECT   12    4   11   13                                                  
CONECT   13    1   12                                                       
CONECT   14    6   15   20                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   14   19                                                       
CONECT   21    3   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24    1                                                            
CONECT   25    6                                                            
CONECT   26    7                                                            
CONECT   27   11                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   60    0
END