HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 82A                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.451  -0.945   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.697  -3.391   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       7.467  -5.760   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       5.927  -5.760   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.451  -4.296   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.987  -3.820   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.667  -2.314   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.202  -1.838   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.057  -2.868   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.378  -4.375   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.842  -4.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.062   0.036   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.220  -1.532   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.125  -0.286   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      10.251  -2.455   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.625  -1.049   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.530   0.197   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       9.904   1.604   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       8.372   1.765   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.746   3.172   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.467   0.519   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.943  -0.945   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.697  -1.851   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0       5.927   0.519   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       7.943  -4.296   0.000  0.00  0.00           N+0
HETATM   26 Cl   UNK     0       0.233  -5.405   0.000  0.00  0.00          Cl+0
HETATM   27  C   UNK     0      12.688  -1.371   0.000  0.00  0.00           C+0
HETATM   28  F   UNK     0      16.656  -0.447   0.000  0.00  0.00           F+0
HETATM   29  C   UNK     0      14.499   1.121   0.000  0.00  0.00           C+0
HETATM   30 Cl   UNK     0      15.404   2.367   0.000  0.00  0.00          Cl+0
HETATM   31  C   UNK     0      12.967   1.282   0.000  0.00  0.00           C+0
HETATM   32  H   UNK     0      10.974  -0.799   0.000  0.00  0.00           H+0
CONECT    1   24   23                                                       
CONECT    2   23   25    5                                                  
CONECT    3   25    4                                                       
CONECT    4    3    5                                                       
CONECT    5    2    4    6                                                  
CONECT    6    5   11    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   26   11                                                  
CONECT   11    6   10                                                       
CONECT   12   31   27   17                                                  
CONECT   13   14   27                                                       
CONECT   14   13   28   29                                                  
CONECT   15   16                                                            
CONECT   16   15   17                                                       
CONECT   17   12   16   18   32                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   24   22                                                  
CONECT   22   21   23                                                       
CONECT   23    1    2   22                                                  
CONECT   24    1   21                                                       
CONECT   25    2    3                                                       
CONECT   26   10                                                            
CONECT   27   12   13                                                       
CONECT   28   14                                                            
CONECT   29   14   30   31                                                  
CONECT   30   29                                                            
CONECT   31   12   29                                                       
CONECT   32   17                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END