HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IHX                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -5.479  -3.077   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.479  -1.537   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.146  -3.847   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.146  -0.767   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.812  -3.077   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.812  -1.537   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.146   0.773   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.812   1.543   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.479   1.543   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.479   3.083   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.144   1.543   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.144   3.083   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       1.189   0.773   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       2.523  -1.537   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.523   1.543   0.000  0.00  0.00           C+0
HETATM   16  F   UNK     0      -8.147   4.623   0.000  0.00  0.00           F+0
HETATM   17  C   UNK     0      -6.813   3.853   0.000  0.00  0.00           C+0
HETATM   18  F   UNK     0      -6.043   5.186   0.000  0.00  0.00           F+0
HETATM   19  F   UNK     0      -7.583   2.519   0.000  0.00  0.00           F+0
HETATM   20  O   UNK     0      -1.478  -3.847   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -4.146   3.853   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.812   3.083   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      -1.478   3.853   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      -1.478   0.773   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       3.857   0.773   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0       3.857  -0.767   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       5.190  -1.537   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.189  -0.767   0.000  0.00  0.00           C+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6    7                                                  
CONECT    5    3    6   20                                                  
CONECT    6    4    5                                                       
CONECT    7    4    8    9                                                  
CONECT    8    7   22   24                                                  
CONECT    9    7   10                                                       
CONECT   10    9   17   21                                                  
CONECT   11   12   13   24                                                  
CONECT   12   11   23                                                       
CONECT   13   11   15   28                                                  
CONECT   14   26   28                                                       
CONECT   15   13   25                                                       
CONECT   16   17                                                            
CONECT   17   10   16   18   19                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    5                                                            
CONECT   21   10   22                                                       
CONECT   22    8   21   23                                                  
CONECT   23   12   22                                                       
CONECT   24    8   11                                                       
CONECT   25   15   26                                                       
CONECT   26   14   25   27                                                  
CONECT   27   26                                                            
CONECT   28   13   14                                                       
MASTER        0    0    0    0    0    0    0    0   28    0   62    0
END