HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 626                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -0.036   7.270   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.806   8.604   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       1.504   7.270   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       5.339   8.516   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.339   6.024   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.244   7.270   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       5.815   4.560   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       7.321   4.239   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.797   2.775   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.351   5.384   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.303   2.454   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.779   0.990   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.242   0.166   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.766   1.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.874   8.040   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.874   6.500   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.409   6.024   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.409   8.516   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       9.225  -1.619   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      10.731  -1.939   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.207  -3.404   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      10.176  -4.549   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       8.670  -4.228   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.194  -2.764   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.652  -6.013   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.749  -0.155   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.715   5.166   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.715   6.706   0.000  0.00  0.00           C+0
HETATM   29  S   UNK     0      -3.251   4.690   0.000  0.00  0.00           S+0
HETATM   30  C   UNK     0      -3.251   7.182   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.346   5.936   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.806   5.936   0.000  0.00  0.00           C+0
CONECT    1    2    3   32                                                  
CONECT    2    1                                                            
CONECT    3    1   17   18                                                  
CONECT    4    6   15                                                       
CONECT    5    6    7   16                                                  
CONECT    6    4    5                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8   11   14                                                  
CONECT   10    8                                                            
CONECT   11    9   12                                                       
CONECT   12   11   26                                                       
CONECT   13   14   26                                                       
CONECT   14    9   13                                                       
CONECT   15    4   16   18                                                  
CONECT   16    5   15   17                                                  
CONECT   17    3   16                                                       
CONECT   18    3   15                                                       
CONECT   19   20   24   26                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   19   23                                                       
CONECT   25   22                                                            
CONECT   26   12   13   19                                                  
CONECT   27   28   29                                                       
CONECT   28   27   30                                                       
CONECT   29   27   31                                                       
CONECT   30   28   31                                                       
CONECT   31   29   30   32                                                  
CONECT   32    1   31                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   72    0
END