HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ChEBI                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      17.909 -27.316   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.575 -28.086   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.575 -29.625   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.909 -30.394   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.242 -29.625   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.662 -30.394   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.996 -29.625   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      21.996 -28.086   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      20.662 -27.316   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      19.242 -28.086   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.662 -25.777   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.996 -25.007   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      23.415 -25.777   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      23.415 -27.316   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      24.749 -28.086   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      26.083 -27.316   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      26.083 -25.777   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.749 -25.007   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      24.749 -23.468   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      26.083 -22.699   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      27.502 -23.468   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      27.502 -25.007   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.934 -31.677   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      18.764 -31.660   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      19.242 -26.547   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      22.011 -26.632   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      23.431 -28.924   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      26.100 -24.238   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      25.176 -21.450   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      26.989 -21.468   0.000  0.00  0.00           C+0
HETATM   31  H   UNK     0      19.242 -30.873   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      20.662 -28.565   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      24.749 -26.256   0.000  0.00  0.00           H+0
HETATM   34  O   UNK     0      26.270 -19.982   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      28.341 -21.304   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      19.335 -25.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      15.207 -30.398   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.871 -31.170   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.535 -30.398   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.871 -32.712   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      11.198 -31.170   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      12.535 -33.484   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      11.199 -32.712   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      12.534 -28.856   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       9.862 -30.399   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       9.863 -33.484   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      12.535 -35.027   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      11.199 -35.798   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      12.534 -27.313   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      11.198 -26.542   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      13.870 -26.542   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      11.198 -24.999   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      13.870 -24.999   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      12.534 -24.228   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       9.862 -27.313   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       9.862 -24.228   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      12.534 -22.685   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      15.206 -24.228   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      15.206 -22.685   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      13.878 -35.507   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      16.296 -25.146   0.000  0.00  0.00           O+0
CONECT    1   10    2                                                       
CONECT    2    1    3                                                       
CONECT    3    4    2   37                                                  
CONECT    4    5    3   23   24                                             
CONECT    5   10    4    6   31                                             
CONECT    6    5    7                                                       
CONECT    7    8    6                                                       
CONECT    8    9    7   14   26                                             
CONECT    9   10   11    8   32                                             
CONECT   10    1    9    5   25                                             
CONECT   11    9   12   36                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14    8   15   13   27                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   22   28                                             
CONECT   18   13   19   17   33                                             
CONECT   19   18   20                                                       
CONECT   20   19   21   30   29                                             
CONECT   21   20   22                                                       
CONECT   22   17   21                                                       
CONECT   23    4                                                            
CONECT   24    4                                                            
CONECT   25   10                                                            
CONECT   26    8                                                            
CONECT   27   14                                                            
CONECT   28   17                                                            
CONECT   29   20                                                            
CONECT   30   20   34   35                                                  
CONECT   31    5                                                            
CONECT   32    9                                                            
CONECT   33   18                                                            
CONECT   34   30                                                            
CONECT   35   30                                                            
CONECT   36   11                                                            
CONECT   37    3   38                                                       
CONECT   38   39   40   37                                                  
CONECT   39   38   41   44                                                  
CONECT   40   38   42                                                       
CONECT   41   39   43   45                                                  
CONECT   42   40   43   47                                                  
CONECT   43   41   42   46                                                  
CONECT   44   39   49                                                       
CONECT   45   41                                                            
CONECT   46   43                                                            
CONECT   47   42   48   60                                                  
CONECT   48   47                                                            
CONECT   49   50   51   44                                                  
CONECT   50   49   52   55                                                  
CONECT   51   49   53                                                       
CONECT   52   50   54   56                                                  
CONECT   53   51   54   58                                                  
CONECT   54   52   53   57                                                  
CONECT   55   50                                                            
CONECT   56   52                                                            
CONECT   57   54                                                            
CONECT   58   53   59   61                                                  
CONECT   59   58                                                            
CONECT   60   47                                                            
CONECT   61   58                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  134    0
END