HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IHU                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.272  -2.972   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.939  -2.202   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.939  -0.662   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.272   0.108   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.272   1.648   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.939   2.418   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.939   3.958   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.605   1.648   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.605   0.108   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.271  -0.662   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.063   0.108   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.063   1.648   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       2.396  -0.662   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       3.730   0.108   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.730   1.648   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.064  -0.662   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.397   0.108   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.731  -0.662   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.731  -2.202   0.000  0.00  0.00           C+0
HETATM   20  F   UNK     0       9.065  -2.972   0.000  0.00  0.00           F+0
HETATM   21  C   UNK     0       6.397  -2.972   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.064  -2.202   0.000  0.00  0.00           C+0
HETATM   23 Cl   UNK     0       3.730  -2.972   0.000  0.00  0.00          Cl+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    3    8   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   16   21   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END