HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: TCK                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  S   UNK     0      -1.788   1.630   0.000  0.00  0.00           S+0
HETATM    2  O   UNK     0      -1.788   3.170   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      -1.788   0.090   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -3.328   1.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.098   0.296   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.638   0.296   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.408   1.630   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.638   2.963   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.098   2.963   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.948   1.630   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -0.248   1.630   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       0.522   0.296   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.248  -1.038   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.788  -1.038   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.062   0.296   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.832  -1.038   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.372  -1.038   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.142  -2.371   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       6.682  -2.371   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       0.522  -2.371   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0      -0.568   0.296   0.000  0.00  0.00           H+0
HETATM   22 Cl   UNK     0      -0.248  -3.705   0.000  0.00  0.00          Cl+0
CONECT    1    2    4    3   11                                             
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    4    8                                                       
CONECT   10    7                                                            
CONECT   11   12    1                                                       
CONECT   12   11   13   15   21                                             
CONECT   13   12   14   20                                                  
CONECT   14   13                                                            
CONECT   15   12   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   13   22                                                       
CONECT   21   12                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END