HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IN9                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.685  -2.692   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.203  -5.129   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.375  -1.358   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.705   1.309   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.705   3.977   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.935   2.643   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.395   2.643   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.375   3.977   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.395   5.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.935   5.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.015  -2.692   0.000  0.00  0.00           C+0
HETATM   12  S   UNK     0      -2.059  -4.098   0.000  0.00  0.00           S+0
HETATM   13  N   UNK     0      -4.217  -2.853   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -4.537  -4.359   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -1.915  -1.358   0.000  0.00  0.00           N+0
HETATM   16  S   UNK     0      -3.042  -6.660   0.000  0.00  0.00           S+0
HETATM   17  O   UNK     0       0.395  -2.692   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       0.395  -0.024   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       1.935  -0.024   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.705  -1.358   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.935  -2.692   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0       4.245  -1.358   0.000  0.00  0.00           N+0
HETATM   23  F   UNK     0      -0.375   1.309   0.000  0.00  0.00           F+0
HETATM   24  F   UNK     0      -1.915   3.977   0.000  0.00  0.00           F+0
HETATM   25  F   UNK     0      -0.375   6.644   0.000  0.00  0.00           F+0
HETATM   26  F   UNK     0       2.705   6.644   0.000  0.00  0.00           F+0
HETATM   27  F   UNK     0       4.245   3.977   0.000  0.00  0.00           F+0
HETATM   28  H   UNK     0       1.390   0.920   0.000  0.00  0.00           H+0
CONECT    1   12   13   15                                                  
CONECT    2   12   14   16                                                  
CONECT    3   15   17   18                                                  
CONECT    4    6   19                                                       
CONECT    5    6   10   27                                                  
CONECT    6    4    5    7                                                  
CONECT    7    6    8   23                                                  
CONECT    8    7    9   24                                                  
CONECT    9    8   10   25                                                  
CONECT   10    5    9   26                                                  
CONECT   11   22                                                            
CONECT   12    1    2                                                       
CONECT   13    1   14                                                       
CONECT   14    2   13                                                       
CONECT   15    1    3                                                       
CONECT   16    2                                                            
CONECT   17    3                                                            
CONECT   18    3   19                                                       
CONECT   19    4   18   20   28                                             
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   11   20                                                       
CONECT   23    7                                                            
CONECT   24    8                                                            
CONECT   25    9                                                            
CONECT   26   10                                                            
CONECT   27    5                                                            
CONECT   28   19                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END