HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: AIQ                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.969  -1.386   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.635  -0.616   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.635   0.924   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.699  -1.386   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       2.032  -0.616   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       3.366  -1.386   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       4.700  -0.616   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       3.366  -2.926   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       2.032  -3.696   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.032  -5.236   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.699  -2.926   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.635  -3.696   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.969  -2.926   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -3.303  -3.696   0.000  0.00  0.00           N+0
HETATM   15  S   UNK     0      -1.969   1.694   0.000  0.00  0.00           S+0
HETATM   16  C   UNK     0      -1.969   3.234   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -3.215   4.140   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -0.723   4.140   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -2.739   5.604   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.199   5.604   0.000  0.00  0.00           C+0
CONECT    1    2   13                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2   15                                                       
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    4    9   12                                                  
CONECT   12   11   13                                                       
CONECT   13    1   12   14                                                  
CONECT   14   13                                                            
CONECT   15    3   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16   19                                                       
CONECT   18   16   20                                                       
CONECT   19   17   20                                                       
CONECT   20   18   19                                                       
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END