HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: BTD                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      -3.550   4.755   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.216   3.985   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.216   2.445   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.970   1.540   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.446   0.075   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.541  -1.170   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       0.990  -1.009   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.168  -2.577   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.699  -2.738   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -0.262  -3.823   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       1.269  -3.662   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.174  -4.908   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.896  -2.255   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.427  -2.094   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.197  -0.761   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.703  -1.081   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.864  -2.612   0.000  0.00  0.00           C+0
HETATM   18  S   UNK     0       4.458  -3.239   0.000  0.00  0.00           S+0
HETATM   19 Br   UNK     0       7.198  -3.382   0.000  0.00  0.00          Br+0
HETATM   20  C   UNK     0      -2.986   0.075   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.462   1.540   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.927   2.016   0.000  0.00  0.00           O+0
HETATM   23  H   UNK     0      -1.245   2.940   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0      -0.370   0.246   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0      -3.633   2.617   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21   23                                             
CONECT    4    3    5                                                       
CONECT    5    4    6   20   24                                             
CONECT    6    5    7    8                                                  
CONECT    7    6   13                                                       
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13    7   11   14                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   14   17                                                       
CONECT   19   17                                                            
CONECT   20    5   21                                                       
CONECT   21    3   20   22   25                                             
CONECT   22   21                                                            
CONECT   23    3                                                            
CONECT   24    5                                                            
CONECT   25   21                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END