HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IEM                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.172  -2.621   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.839  -1.851   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.505  -2.621   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.829  -1.851   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.829  -0.311   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.505   0.459   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.505   1.999   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.839   2.769   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.839   4.309   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.172   5.079   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.505   5.079   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.496  -0.311   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.496  -1.851   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -2.162   0.459   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       4.506  -1.851   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       3.172  -4.161   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -2.162  -2.621   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.839  -0.311   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.830   0.459   0.000  0.00  0.00           O+0
HETATM   20  H   UNK     0      -0.829  -2.941   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0      -1.773  -0.856   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0      -0.439   1.004   0.000  0.00  0.00           H+0
CONECT    1    2   15   16                                                  
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   17   20                                             
CONECT    5    4    6   14   21                                             
CONECT    6    5    7   18   22                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12   13   14   19                                                  
CONECT   13   12                                                            
CONECT   14    5   12                                                       
CONECT   15    1                                                            
CONECT   16    1                                                            
CONECT   17    4                                                            
CONECT   18    2    6                                                       
CONECT   19   12                                                            
CONECT   20    4                                                            
CONECT   21    5                                                            
CONECT   22    6                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END