HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: IN8                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.509  -0.442   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.947   0.076   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.842  -0.442   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.508   1.868   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.508   3.408   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.175   4.178   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.159   3.408   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.159   1.868   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.493  -0.442   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.160  -0.442   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.161  -2.752   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.827  -3.522   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.494  -2.752   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.161  -1.212   0.000  0.00  0.00           C+0
HETATM   15  S   UNK     0      -7.916  -1.068   0.000  0.00  0.00           S+0
HETATM   16  N   UNK     0      -6.671   1.089   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      -8.177   1.410   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -5.176  -1.212   0.000  0.00  0.00           N+0
HETATM   19  S   UNK     0     -10.478  -0.085   0.000  0.00  0.00           S+0
HETATM   20  O   UNK     0      -3.842   1.098   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.508  -1.212   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.175  -0.442   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.175   1.098   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.826  -1.212   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       1.493   1.098   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       0.159  -1.212   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       5.494  -1.212   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.827  -0.442   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0      -2.119   0.103   0.000  0.00  0.00           H+0
CONECT    1   15   16   18                                                  
CONECT    2   15   17   19                                                  
CONECT    3   18   20   21                                                  
CONECT    4    5   23                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7   23                                                       
CONECT    9   24   25   26                                                  
CONECT   10   24   27                                                       
CONECT   11   12   14                                                       
CONECT   12   11   13                                                       
CONECT   13   12   27                                                       
CONECT   14   11   28                                                       
CONECT   15    1    2                                                       
CONECT   16    1   17                                                       
CONECT   17    2   16                                                       
CONECT   18    1    3                                                       
CONECT   19    2                                                            
CONECT   20    3                                                            
CONECT   21    3   22                                                       
CONECT   22   21   23   26   29                                             
CONECT   23    4    8   22                                                  
CONECT   24    9   10                                                       
CONECT   25    9                                                            
CONECT   26    9   22                                                       
CONECT   27   10   13   28                                                  
CONECT   28   14   27                                                       
CONECT   29   22                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END