HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: R88                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       2.469   6.618   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.135   5.848   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.199   6.618   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.135   4.308   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.469   3.538   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.469   1.998   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.135   1.228   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.199  -1.082   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.199  -2.622   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.532  -3.392   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.532  -4.932   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -2.866  -5.702   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -4.200  -4.932   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.866  -7.242   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.096  -8.576   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.199   1.998   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.199   3.538   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.469   8.158   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.802   8.928   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.136   8.158   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.135  -0.312   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.636  -8.576   0.000  0.00  0.00           C+0
HETATM   23 Br   UNK     0       6.470   8.928   0.000  0.00  0.00          Br+0
HETATM   24  C   UNK     0       5.136   6.618   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.802   5.848   0.000  0.00  0.00           C+0
CONECT    1    2   18   25                                                  
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6   16   21                                                  
CONECT    8    9   21                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   22                                                  
CONECT   15   14   22                                                       
CONECT   16    7   17                                                       
CONECT   17    4   16                                                       
CONECT   18    1   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   23   24                                                  
CONECT   21    7    8                                                       
CONECT   22   14   15                                                       
CONECT   23   20                                                            
CONECT   24   20   25                                                       
CONECT   25    1   24                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END