HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ITR                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       0.910  -1.897   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -0.596  -2.217   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.627  -1.072   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.151   0.392   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.056   1.638   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -1.151   2.884   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       0.314   2.408   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.647   3.178   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.981   2.408   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.981   0.868   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.647   0.098   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.314   0.868   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.072  -3.681   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.042  -4.826   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -2.579  -4.001   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   12                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12    4    7   11                                                  
CONECT   13    2   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END