HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: SHM                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -4.110  -0.958   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.079   0.187   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -3.849   1.520   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -5.355   1.200   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -5.517  -0.332   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.672  -0.440   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0      -1.833  -1.971   0.000  0.00  0.00           S+0
HETATM    8  C   UNK     0      -3.340  -2.292   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.339   0.330   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.995  -0.440   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.329   0.330   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.662  -0.440   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.996   0.330   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.330  -0.440   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.663   0.330   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       6.330  -1.980   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -6.500   2.230   0.000  0.00  0.00           O+0
HETATM   18  H   UNK     0      -4.839  -1.768   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0      -2.350   0.997   0.000  0.00  0.00           H+0
HETATM   20  H   UNK     0      -1.729   0.649   0.000  0.00  0.00           H+0
CONECT    1    2    5    8   18                                             
CONECT    2    1    3    6   19                                             
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    1    4                                                       
CONECT    6    2    7    9   20                                             
CONECT    7    6    8                                                       
CONECT    8    1    7                                                       
CONECT    9    6   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    4                                                            
CONECT   18    1                                                            
CONECT   19    2                                                            
CONECT   20    6                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END