COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.549  -0.250   0.722  1.00  0.00           N  
HETATM    2  N   UNL     1       2.985  -0.171  -0.338  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.258   0.422  -0.848  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.711   0.477   0.427  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.314   1.250   1.410  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.459   1.965   1.120  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.610  -1.388   1.643  1.00  0.00           C  
HETATM    8  C   UNL     1       0.065  -3.471   0.443  1.00  0.00           C  
HETATM    9  C   UNL     1       1.849  -0.752   0.381  1.00  0.00           C  
HETATM   10  C   UNL     1       5.821   1.928  -0.699  1.00  0.00           C  
HETATM   11  C   UNL     1       5.045   2.321   1.531  1.00  0.00           C  
HETATM   12  O   UNL     1       0.693   1.087  -0.540  1.00  0.00           O  
HETATM   13  C   UNL     1       0.624   0.095   0.154  1.00  0.00           C  
HETATM   14  C   UNL     1       3.876   0.759   0.146  1.00  0.00           C  
HETATM   15  C   UNL     1       4.016   1.422   1.360  1.00  0.00           C  
HETATM   16  C   UNL     1       5.942   2.568   0.500  1.00  0.00           C  
HETATM   17  C   UNL     1       4.783   1.009  -0.899  1.00  0.00           C  
HETATM   18  N   UNL     1       4.420   0.244  -1.948  1.00  0.00           N  
HETATM   19  N   UNL     1       3.383  -0.457  -1.652  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.898  -2.647   0.867  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.120  -3.026   0.550  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.241  -4.124  -0.117  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.701  -4.802  -0.420  1.00  0.00           S  
HETATM   24  C   UNL     1      -3.403   1.138  -1.138  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.007   1.911  -0.155  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.167   2.635  -0.449  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.816   2.480  -1.754  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.733   3.548   0.547  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.786  -0.176  -1.613  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.888   1.292   2.401  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.929   2.565   1.884  1.00  0.00           H  
HETATM   32  H   UNL     1       0.344  -1.489   2.159  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.403  -1.222   2.373  1.00  0.00           H  
HETATM   34  H   UNL     1       1.126  -3.341   0.599  1.00  0.00           H  
HETATM   35  H   UNL     1       1.666  -1.762   0.015  1.00  0.00           H  
HETATM   36  H   UNL     1       2.073  -0.788   1.447  1.00  0.00           H  
HETATM   37  H   UNL     1       6.524   2.131  -1.493  1.00  0.00           H  
HETATM   38  H   UNL     1       5.155   2.836   2.473  1.00  0.00           H  
HETATM   39  H   UNL     1       3.322   1.232   2.165  1.00  0.00           H  
HETATM   40  H   UNL     1       6.744   3.276   0.649  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.178  -4.550  -0.442  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.829   1.096  -2.130  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.550   1.677  -1.701  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.315   3.411  -2.024  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.066   2.239  -2.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.173   3.462   1.478  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.670   4.572   0.178  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.777   3.289   0.725  1.00  0.00           H  
CONECT    1   13    4    7                                            
CONECT    2   19   14    9                                            
CONECT    3    4    4   24   29                                       
CONECT    4    1    3    3    5                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5   25   31                                       
CONECT    7    1   20   32   33                                       
CONECT    8   23   20   20   34                                       
CONECT    9    2   13   35   36                                       
CONECT   10   17   17   16   37                                       
CONECT   11   16   16   15   38                                       
CONECT   12   13   13                                                 
CONECT   13    9   12   12    1                                       
CONECT   14   17    2   15   15                                       
CONECT   15   14   14   11   39                                       
CONECT   16   10   11   11   40                                       
CONECT   17   18   10   10   14                                       
CONECT   18   19   19   17                                            
CONECT   19   18   18    2                                            
CONECT   20   21    8    8    7                                       
CONECT   21   22   22   20                                            
CONECT   22   23   21   21   41                                       
CONECT   23   22    8                                                 
CONECT   24    3   25   25   42                                       
CONECT   25   24   24    6   26                                       
CONECT   26   25   28   27                                            
CONECT   27   26   43   44   45                                       
CONECT   28   26   46   47   48                                       
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
