HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: P1E                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.693   4.269   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.027   6.579   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.640   1.959   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.693  -0.351   0.000  0.00  0.00           C+0
HETATM    5  F   UNK     0      -0.640  -4.201   0.000  0.00  0.00           F+0
HETATM    6  C   UNK     0      -0.640  -2.661   0.000  0.00  0.00           C+0
HETATM    7  F   UNK     0      -2.180  -2.661   0.000  0.00  0.00           F+0
HETATM    8  F   UNK     0       0.900  -2.661   0.000  0.00  0.00           F+0
HETATM    9  C   UNK     0      -0.640  -1.121   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       0.693   1.189   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -1.974  -0.351   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -3.308  -1.121   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -3.308  -2.661   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.062  -3.566   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.538  -5.031   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.078  -5.031   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.553  -3.566   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -6.018  -3.091   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -7.163  -4.121   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.338  -1.584   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -1.974   1.189   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      -0.640   3.499   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       0.693   5.809   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.027   3.499   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.361   4.269   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.361   5.809   0.000  0.00  0.00           C+0
HETATM   27  S   UNK     0       4.694   6.579   0.000  0.00  0.00           S+0
HETATM   28  O   UNK     0       5.464   5.245   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       3.924   7.912   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       6.028   7.349   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       6.028   8.889   0.000  0.00  0.00           C+0
HETATM   32  H   UNK     0      -2.336  -2.166   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -4.724  -2.490   0.000  0.00  0.00           H+0
CONECT    1   22   23   24                                                  
CONECT    2   23   26                                                       
CONECT    3   10   21   22                                                  
CONECT    4    9   10                                                       
CONECT    5    6                                                            
CONECT    6    5    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4    6   11                                                  
CONECT   10    3    4                                                       
CONECT   11    9   12   21                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   17   32                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   13   16   18   33                                             
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    3   11                                                       
CONECT   22    1    3                                                       
CONECT   23    1    2                                                       
CONECT   24    1   25                                                       
CONECT   25   24   26                                                       
CONECT   26    2   25   27                                                  
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27   31                                                       
CONECT   31   30                                                            
CONECT   32   13                                                            
CONECT   33   17                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END