HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: THK                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0       0.972   1.180   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.003   2.324   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.509   2.004   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.985   0.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.345   1.263   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.955  -0.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.448  -0.285   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.534   1.500   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.564   0.356   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.071   0.676   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.101  -0.469   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.132   0.676   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.638   0.356   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.668   1.500   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.193   2.965   0.000  0.00  0.00           C+0
HETATM   16  F   UNK     0      -8.223   4.109   0.000  0.00  0.00           F+0
HETATM   17  C   UNK     0      -5.686   3.285   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.656   2.141   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.933  -0.674   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.458  -0.460   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.406  -1.673   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.829  -3.101   0.000  0.00  0.00           C+0
HETATM   23 Cl   UNK     0       7.778  -4.315   0.000  0.00  0.00          Cl+0
HETATM   24  C   UNK     0       5.305  -3.315   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.356  -2.102   0.000  0.00  0.00           C+0
HETATM   26  S   UNK     0      -2.855  -1.374   0.000  0.00  0.00           S+0
HETATM   27  C   UNK     0      -3.331  -2.838   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.871  -2.838   0.000  0.00  0.00           C+0
HETATM   29  S   UNK     0      -5.347  -1.374   0.000  0.00  0.00           S+0
CONECT    1    2    7    8                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6   19                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    1    6                                                       
CONECT    8    1    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   26   29                                             
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   12   17                                                       
CONECT   19    4   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   19   24                                                       
CONECT   26   11   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   11   28                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END