HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: I84                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -7.853   1.069   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.519   1.839   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.185   1.069   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.185  -0.471   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.519  -1.241   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.853  -0.471   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.519   3.379   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.851   1.839   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.518   1.069   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -1.184   1.839   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       0.150   1.069   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.518  -0.471   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.483   1.839   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.817   1.069   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.817  -0.471   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.483  -1.241   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.150  -0.471   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.483  -2.781   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.151   1.839   0.000  0.00  0.00           C+0
HETATM   20  S   UNK     0       4.151  -1.241   0.000  0.00  0.00           S+0
HETATM   21  N   UNK     0       5.484  -2.011   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       6.818  -1.241   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.152  -2.011   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.485  -1.241   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.152  -3.551   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       3.381  -2.575   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.921   0.093   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    7                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    2                                                            
CONECT    8    3    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10   13   17                                                  
CONECT   12    9                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   11   16                                                       
CONECT   18   16                                                            
CONECT   19   14                                                            
CONECT   20   15   21   26   27                                             
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   20                                                            
CONECT   27   20                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END