HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IIE                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.389   0.493   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.055  -0.277   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.721   0.493   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.721   2.033   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.055   2.803   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.389   2.033   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       1.256   0.017   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       0.351   1.263   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.256   2.509   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.189   1.263   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -1.959   2.597   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -3.499   2.597   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.269   1.263   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.809   1.263   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      -6.579   2.597   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -5.809   3.931   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.269   3.931   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.119   2.597   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.889   3.931   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.889   1.263   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.781  -1.447   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.811  -2.592   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.872  -4.881   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.902  -6.025   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.366  -5.201   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.427  -7.490   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.920  -7.810   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.890  -6.665   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0       1.335  -4.056   0.000  0.00  0.00           N+0
HETATM   30  O   UNK     0       3.317  -2.272   0.000  0.00  0.00           O+0
HETATM   31 Cl   UNK     0       5.457  -8.634   0.000  0.00  0.00          Cl+0
HETATM   32  O   UNK     0      -1.959  -0.070   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    3    8   21                                                  
CONECT    8    7    9   10                                                  
CONECT    9    4    8                                                       
CONECT   10    8   11   32                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   12   16                                                       
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    7   22                                                       
CONECT   22   21   29   30                                                  
CONECT   23   24   25                                                       
CONECT   24   23   26                                                       
CONECT   25   23   28   29                                                  
CONECT   26   24   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   25   27                                                       
CONECT   29   22   25                                                       
CONECT   30   22                                                            
CONECT   31   26                                                            
CONECT   32   10                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END