HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: TSA                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.804   0.373   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.890  -1.424   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.597  -1.750   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.154  -0.693   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.833  -0.617   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.042   1.042   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.043   1.836   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.631   1.041   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.862  -0.419   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.944   0.354   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.302   1.224   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.787   2.726   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       3.874   1.258   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.801  -1.734   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.586  -3.271   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.327  -1.821   0.000  0.00  0.00           O+0
HETATM   17  H   UNK     0       1.143  -1.080   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.459   2.020   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0      -2.846  -0.016   0.000  0.00  0.00           H+0
CONECT    1    2    7   10   11                                             
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6   17                                             
CONECT    5    4                                                            
CONECT    6    4    7    8   18                                             
CONECT    7    1    6                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10   14   19                                             
CONECT   10    1    9                                                       
CONECT   11    1   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    4                                                            
CONECT   18    6                                                            
CONECT   19    9                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END