HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: XY2                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       5.614   1.235   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.614  -0.305   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.281  -1.075   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.055  -0.305   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.721  -1.075   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.721  -2.615   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -2.388  -0.305   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.388   1.235   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.054  -1.075   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.280  -0.305   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.613  -1.075   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.613  -2.615   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       6.759  -1.335   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       6.132  -2.742   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       4.601  -2.581   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       6.948   2.005   0.000  0.00  0.00           N+1
HETATM   17  O   UNK     0       6.948   3.545   0.000  0.00  0.00           O-1
HETATM   18  O   UNK     0       8.282   1.235   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.281   2.005   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.947   1.235   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.947  -0.305   0.000  0.00  0.00           C+0
CONECT    1    2   16   19                                                  
CONECT    2    1    3   13                                                  
CONECT    3    2   15   21                                                  
CONECT    4    5                                                            
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   21                                                  
CONECT   12   11                                                            
CONECT   13    2   14                                                       
CONECT   14   13   15                                                       
CONECT   15    3   14                                                       
CONECT   16    1   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    1   20                                                       
CONECT   20   19   21                                                       
CONECT   21    3   11   20                                                  
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END