HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IN7                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.687   0.651   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.687   2.191   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.021   2.961   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.980  -2.429   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.021  -0.119   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.918   4.294   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.355   2.191   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.355   0.651   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.023   2.961   0.000  0.00  0.00           O+0
HETATM   10  S   UNK     0       4.688   2.961   0.000  0.00  0.00           S+0
HETATM   11  C   UNK     0      -3.314  -1.659   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.314  -0.119   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.980   0.651   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -0.646  -0.119   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      -0.646  -1.659   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -7.315  -3.969   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -7.315  -2.429   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.981  -1.659   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.647  -2.429   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.647  -3.969   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.981  -4.739   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.458   1.627   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       6.022   3.731   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       7.356   2.961   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.689   3.731   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.689   5.271   0.000  0.00  0.00           O+0
CONECT    1    2    5   14                                                  
CONECT    2    1    3                                                       
CONECT    3    2    7                                                       
CONECT    4   11   15                                                       
CONECT    5    1    8                                                       
CONECT    6   10                                                            
CONECT    7    3    8   10                                                  
CONECT    8    5    7                                                       
CONECT    9   25                                                            
CONECT   10    6    7   22   23                                             
CONECT   11    4   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    1   13   15                                                  
CONECT   15    4   14                                                       
CONECT   16   17   21                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   11   18   20                                                  
CONECT   20   19   21                                                       
CONECT   21   16   20                                                       
CONECT   22   10                                                            
CONECT   23   10   24                                                       
CONECT   24   23   25                                                       
CONECT   25    9   24   26                                                  
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END