HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: MSI                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  S   UNK     0       1.452  -1.263   0.000  0.00  0.00           S+0
HETATM    2  N   UNK     0      -4.014  -4.049   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0       2.786  -0.493   0.000  0.00  0.00           N+0
HETATM    4  O   UNK     0       0.337   1.593   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -6.459  -2.803   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -4.490  -0.093   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       2.222  -2.597   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.682   0.071   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -4.919  -2.803   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.014  -1.557   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.215  -1.263   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.118  -2.033   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.118  -3.573   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.215  -4.343   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.549  -3.573   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.549  -2.033   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.947   1.038   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.453   1.359   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.223   0.025   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.193  -1.120   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.802   2.069   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.807   2.623   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.272   2.148   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.416   3.178   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.096   4.684   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.631   5.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.487   4.130   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.490  -5.514   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0       1.929   0.648   0.000  0.00  0.00           H+0
CONECT    1    3    7    8   12                                             
CONECT    2    9   15   28                                                  
CONECT    3    1   17   20                                                  
CONECT    4   21   22                                                       
CONECT    5    9                                                            
CONECT    6   10                                                            
CONECT    7    1                                                            
CONECT    8    1                                                            
CONECT    9    2    5   10                                                  
CONECT   10    6    9   16                                                  
CONECT   11   12   16                                                       
CONECT   12    1   11   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15    2   14   16                                                  
CONECT   16   10   11   15                                                  
CONECT   17    3   18   21   29                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20    3   19                                                       
CONECT   21    4   17                                                       
CONECT   22    4   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   22   26                                                       
CONECT   28    2                                                            
CONECT   29   17                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END