HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: TIO                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  S   UNK     0       0.797   1.823   0.000  0.00  0.00           S+0
HETATM    2  C   UNK     0      -0.537   1.053   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.537  -0.487   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.871  -1.257   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.871  -2.797   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.797  -1.257   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.130  -0.487   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.130   1.053   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.464  -1.257   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.464   1.823   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.798  -0.487   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.798   1.053   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -3.205  -0.487   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -4.538  -1.257   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.872  -0.487   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -7.206  -1.257   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -5.872   1.053   0.000  0.00  0.00           O+0
HETATM   18  H   UNK     0      -1.481   0.058   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6   18                                             
CONECT    4    3    5   13                                                  
CONECT    5    4                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   12                                                       
CONECT   11    9   12                                                       
CONECT   12   10   11                                                       
CONECT   13    4   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    3                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END