HEADER    PROTEIN                                 13-OCT-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 796                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-OCT-19         0                                  
HETATM    1  O   UNK     0       0.228   1.904   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.228   0.364   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.562  -0.406   0.000  0.00  0.00           C+0
HETATM    4  S   UNK     0       2.969   0.220   0.000  0.00  0.00           S+0
HETATM    5  C   UNK     0       1.723  -1.938   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.229  -2.258   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.000  -0.924   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.531  -0.763   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.158   0.644   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       6.436  -2.009   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       7.968  -1.848   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       8.873  -3.094   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.405  -2.933   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       8.594  -0.441   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       7.689   0.805   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -1.105  -0.406   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -2.439   0.364   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.439   1.904   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -1.105   2.674   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -3.773  -0.406   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.106   0.364   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.440  -0.406   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.774   0.364   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -7.774   1.904   0.000  0.00  0.00           C+0
HETATM   25 Cl   UNK     0      -9.107   2.674   0.000  0.00  0.00          Cl+0
HETATM   26  C   UNK     0      -6.440   2.674   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.106   1.904   0.000  0.00  0.00           C+0
HETATM   28 Cl   UNK     0      -3.773   2.674   0.000  0.00  0.00          Cl+0
HETATM   29  H   UNK     0      -1.495   0.909   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3    7                                                       
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    4    6    8                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8   15                                                       
CONECT   10    8   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15    9   14                                                       
CONECT   16    2   17                                                       
CONECT   17   16   18   20   29                                             
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   21   26   28                                                  
CONECT   28   27                                                            
CONECT   29   17                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END