HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: ChEBI                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      57.839 -11.569   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      59.175 -10.802   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      60.510 -11.569   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      60.510 -13.110   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      52.504 -11.569   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      53.840 -10.802   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      55.167 -11.569   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      56.503 -10.802   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      55.167 -13.110   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      47.161 -11.569   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      48.497 -10.802   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      49.833 -11.569   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      51.168 -10.802   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      49.833 -13.110   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      41.824 -11.569   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      43.159 -10.802   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      44.495 -11.569   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      45.823 -10.802   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      44.495 -13.110   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      36.481 -11.569   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      37.817 -10.802   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      39.152 -11.569   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      40.488 -10.802   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      39.152 -13.110   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      31.146 -11.569   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.482 -10.802   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      33.817 -11.569   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      35.145 -10.802   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      33.817 -13.110   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      25.810 -11.569   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.146 -10.802   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      28.482 -11.569   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      29.817 -10.802   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      28.482 -13.110   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.475 -11.577   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      21.810 -10.810   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      23.146 -11.577   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      24.474 -10.810   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      23.146 -13.118   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      19.139 -10.810   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      11.133 -10.761   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      11.139  -9.227   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.797 -11.524   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.462 -11.524   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.803  -8.448   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       8.470 -10.761   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      13.804 -10.767   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      12.462 -13.064   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       8.470  -9.220   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       7.150  -8.442   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      15.126 -11.545   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      16.468 -10.789   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      17.797 -11.566   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      17.785 -13.107   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      61.846 -10.802   0.000  0.00  0.00           C+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3                                                            
CONECT    5   13    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7    1                                                       
CONECT    9    7                                                            
CONECT   10   18   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13    5   12                                                       
CONECT   14   12                                                            
CONECT   15   16   23                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17   10                                                       
CONECT   19   17                                                            
CONECT   20   21   28                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22   15                                                       
CONECT   24   22                                                            
CONECT   25   33   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27   20                                                       
CONECT   29   27                                                            
CONECT   30   38   31                                                       
CONECT   31   30   32                                                       
CONECT   32   34   31   33                                                  
CONECT   33   25   32                                                       
CONECT   34   32                                                            
CONECT   35   36   40                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37   30                                                       
CONECT   39   37                                                            
CONECT   40   35   53                                                       
CONECT   41   42   43   44                                                  
CONECT   42   41   45                                                       
CONECT   43   41   46                                                       
CONECT   44   41   47   48                                                  
CONECT   45   42   49                                                       
CONECT   46   43   49                                                       
CONECT   47   44   51                                                       
CONECT   48   44                                                            
CONECT   49   45   50   46                                                  
CONECT   50   49                                                            
CONECT   51   47   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   40   54                                                  
CONECT   54   53                                                            
CONECT   55    3                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  110    0
END