HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: KI2                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -0.493  -4.236   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.044  -7.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.532  -7.728   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.524  -6.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.028  -5.109   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.540  -4.818   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.548  -5.982   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.501  -3.072   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.997  -1.617   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -3.013  -3.363   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      -4.021  -2.199   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.517  -0.743   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.525   0.421   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.038   0.130   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.046   1.294   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.542   2.749   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.029   3.040   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.021   1.876   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.020  -3.945   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.534  -2.490   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.542  -1.326   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -6.038  -3.945   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.029  -5.109   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -7.550  -4.236   0.000  0.00  0.00           O+0
HETATM   25  H   UNK     0      -2.951  -1.993   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0      -5.177  -1.460   0.000  0.00  0.00           H+0
CONECT    1    8   19                                                       
CONECT    2    3    7                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    2    6                                                       
CONECT    8    1    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   20   25                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   13   17                                                       
CONECT   19    1    5                                                       
CONECT   20   11   21   22   26                                             
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   11                                                            
CONECT   26   20                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END