HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NB1                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.718  -2.113   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.718  -0.573   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.052   0.197   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.385  -0.573   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.385  -2.113   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.719  -2.883   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.652  -1.343   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.192  -1.343   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.502  -0.010   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -0.747  -0.097   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0       2.052   1.737   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.719   0.197   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.052  -2.883   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       6.053  -2.113   0.000  0.00  0.00           O+0
HETATM   15  S   UNK     0      -0.747  -2.589   0.000  0.00  0.00           S+0
HETATM   16  C   UNK     0      -3.962  -0.010   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       0.604  -3.197   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.604   0.511   0.000  0.00  0.00           H+0
HETATM   19  H   UNK     0       1.108   0.742   0.000  0.00  0.00           H+0
HETATM   20  H   UNK     0       3.385   0.517   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0       4.329  -1.568   0.000  0.00  0.00           H+0
CONECT    1    2   13   15   17                                             
CONECT    2    1    3   10   18                                             
CONECT    3    2    4   11   19                                             
CONECT    4    3    5   12   20                                             
CONECT    5    4    6   13   21                                             
CONECT    6    5   14                                                       
CONECT    7    8   10   15                                                  
CONECT    8    7   16                                                       
CONECT    9   16                                                            
CONECT   10    2    7                                                       
CONECT   11    3                                                            
CONECT   12    4                                                            
CONECT   13    1    5                                                       
CONECT   14    6                                                            
CONECT   15    1    7                                                       
CONECT   16    8    9                                                       
CONECT   17    1                                                            
CONECT   18    2                                                            
CONECT   19    3                                                            
CONECT   20    4                                                            
CONECT   21    5                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END