COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.440   2.636  -2.475  1.00  0.00           O  
HETATM    2  C   UNL     1       0.594   2.627  -1.851  1.00  0.00           C  
HETATM    3  CA  UNL     1       0.755   1.700  -0.674  1.00  0.00           C  
HETATM    4  C   UNL     1       1.929   0.752  -0.928  1.00  0.00           C  
HETATM    5  C   UNL     1       4.445  -0.387   0.329  1.00  0.00           C  
HETATM    6  C   UNL     1       5.447  -0.776   1.112  1.00  0.00           C  
HETATM    7  C   UNL     1       4.723   0.395  -0.940  1.00  0.00           C  
HETATM    8  CA  UNL     1       3.057  -0.710   0.684  1.00  0.00           C  
HETATM    9  C   UNL     1       2.856  -1.709   1.767  1.00  0.00           C  
HETATM   10  O   UNL     1       3.807  -2.308   2.224  1.00  0.00           O  
HETATM   11  OXT UNL     1       1.619  -1.949   2.240  1.00  0.00           O  
HETATM   12  N   UNL     1       2.008  -0.217   0.153  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.472   0.921  -0.494  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.498   1.432   0.214  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.440   2.572   0.631  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.697   0.605   0.485  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.639   1.058   1.262  1.00  0.00           N  
HETATM   18  O   UNL     1      -3.575   2.385   1.754  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.673   2.748   2.593  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.824  -0.736  -0.126  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.944  -1.476  -0.017  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.691  -2.993  -0.877  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.065  -2.477  -1.314  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.839  -1.296  -0.830  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.166  -3.218  -2.064  1.00  0.00           N  
HETATM   26  S   UNL     1       3.467   1.714  -1.028  1.00  0.00           S  
HETATM   27  HA  UNL     1       0.949   2.285   0.226  1.00  0.00           H  
HETATM   28  H   UNL     1       1.772   0.228  -1.871  1.00  0.00           H  
HETATM   29  H   UNL     1       6.468  -0.668   0.776  1.00  0.00           H  
HETATM   30  H   UNL     1       5.239  -1.202   2.082  1.00  0.00           H  
HETATM   31  H   UNL     1       5.721   0.832  -0.897  1.00  0.00           H  
HETATM   32  H   UNL     1       4.639  -0.259  -1.807  1.00  0.00           H  
HETATM   33  HXT UNL     1       1.539  -2.607   2.945  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.546   0.036  -0.886  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.549   3.778   2.928  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.604   2.657   2.033  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.704   2.085   3.458  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.843  -1.190   0.509  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.417  -4.095  -2.394  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.287  -2.859  -2.260  1.00  0.00           H  
HETATM   41  H   UNL     1       1.404   3.281  -2.138  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   41                                       
CONECT    3    2    4   13   27                                       
CONECT    4    3   12   26   28                                       
CONECT    5    6    6    7    8                                       
CONECT    6    5    5   29   30                                       
CONECT    7    5   26   31   32                                       
CONECT    8    5    9   12   12                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   33                                                 
CONECT   12    4    8    8                                            
CONECT   13    3   14   34                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17   20                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19                                                 
CONECT   19   18   35   36   37                                       
CONECT   20   16   21   21   24                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   24   20   23   23                                            
CONECT   25   23   39   40                                            
CONECT   26    4    7                                                 
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41    2                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
