HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: BHB                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0      -2.756   4.474   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -2.756   2.934   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.422   2.164   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.422   0.624   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.756  -0.146   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.756  -1.686   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -4.089  -2.456   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -4.089  -3.996   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      -5.423  -1.686   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -5.423  -0.146   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.757   0.624   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.089   0.624   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.089   2.164   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.088  -0.146   0.000  0.00  0.00           C+0
HETATM   15  S   UNK     0       1.245   0.624   0.000  0.00  0.00           S+0
HETATM   16  C   UNK     0       2.579  -0.146   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.913   0.624   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       5.246  -0.146   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       6.580   0.624   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.246  -1.686   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12    5   10   13                                                  
CONECT   13    2   12                                                       
CONECT   14    4   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END