HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: LIE                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.230   0.553   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.562   0.553   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.378  -1.387   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.807   1.323   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -3.347   1.323   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.563  -1.757   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.897  -2.527   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.230  -4.067   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.885  -1.707   0.000  0.00  0.00           C+0
HETATM   10  F   UNK     0      -6.427   1.323   0.000  0.00  0.00           F+0
HETATM   11  C   UNK     0      -5.657   2.657   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.427   3.991   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.657   5.324   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.117   5.324   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.347   3.991   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.117   2.657   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -0.902   2.569   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       0.562   2.093   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.896   2.863   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -0.902   0.077   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -0.348  -2.532   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       1.896  -0.217   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0       3.230   2.093   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0       4.563  -0.217   0.000  0.00  0.00           O+0
HETATM   25  F   UNK     0       7.231  -1.757   0.000  0.00  0.00           F+0
HETATM   26  C   UNK     0       5.897  -4.067   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.563  -4.837   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.230  -2.527   0.000  0.00  0.00           C+0
HETATM   29  F   UNK     0       1.896  -1.757   0.000  0.00  0.00           F+0
CONECT    1   22   23   24                                                  
CONECT    2   18   20   22                                                  
CONECT    3    9   20   21                                                  
CONECT    4    5   17   20                                                  
CONECT    5    4   16                                                       
CONECT    6    7   24   28                                                  
CONECT    7    6   25   26                                                  
CONECT    8   27   28                                                       
CONECT    9    3                                                            
CONECT   10   11                                                            
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16    5   11   15                                                  
CONECT   17    4   18                                                       
CONECT   18    2   17   19                                                  
CONECT   19   18   23                                                       
CONECT   20    2    3    4                                                  
CONECT   21    3                                                            
CONECT   22    1    2                                                       
CONECT   23    1   19                                                       
CONECT   24    1    6                                                       
CONECT   25    7                                                            
CONECT   26    7   27                                                       
CONECT   27    8   26                                                       
CONECT   28    6    8   29                                                  
CONECT   29   28                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END