COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.544   0.502   0.172  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.246   0.953   0.064  1.00  0.00           N  
HETATM    3  C   UNL     1       3.254   0.252   1.453  1.00  0.00           C  
HETATM    4  C   UNL     1       4.749   0.429   1.111  1.00  0.00           C  
HETATM    5  C   UNL     1       1.267  -0.065   0.188  1.00  0.00           C  
HETATM    6  C   UNL     1       1.117  -1.441   0.364  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.126  -2.037   0.370  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.621  -1.824   0.161  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.290   2.983   0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.772   2.967   0.311  1.00  0.00           C  
HETATM   11  C   UNL     1       0.143   0.744   0.028  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.043  -0.719  -0.237  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.104  -1.482  -0.109  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.317  -2.815  -0.076  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.746  -0.957   0.009  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.778  -3.032   0.242  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.489   0.423  -0.021  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.140   2.324   0.128  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.559   1.750  -0.139  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.105   0.141   0.091  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.269  -1.243   0.215  1.00  0.00           C  
HETATM   22  F   UNL     1       2.216  -2.208   0.534  1.00  0.00           F  
HETATM   23  N   UNL     1       0.269   2.107  -0.254  1.00  0.00           N  
HETATM   24  C   UNL     1       0.416   2.334  -1.698  1.00  0.00           C  
HETATM   25  C   UNL     1       3.402  -0.146  -0.853  1.00  0.00           C  
HETATM   26  O   UNL     1       5.174   1.759   1.416  1.00  0.00           O  
HETATM   27  C   UNL     1       4.846   0.167  -0.406  1.00  0.00           C  
HETATM   28  N   UNL     1       5.722  -0.982  -0.670  1.00  0.00           N  
HETATM   29  C   UNL     1       5.826  -1.245  -2.112  1.00  0.00           C  
HETATM   30  C   UNL     1       7.050  -0.780  -0.075  1.00  0.00           C  
HETATM   31  H   UNL     1       2.947   0.978   2.206  1.00  0.00           H  
HETATM   32  H   UNL     1       3.059  -0.762   1.804  1.00  0.00           H  
HETATM   33  H   UNL     1       5.351  -0.295   1.660  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.218  -3.106   0.492  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.424   4.054  -0.001  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.757   3.932  -0.194  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.581   3.112   1.374  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.247  -3.066  -0.161  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.461   1.950  -2.218  1.00  0.00           H  
HETATM   40  H   UNL     1       0.512   3.403  -1.889  1.00  0.00           H  
HETATM   41  H   UNL     1       1.307   1.819  -2.058  1.00  0.00           H  
HETATM   42  H   UNL     1       3.233  -1.223  -0.864  1.00  0.00           H  
HETATM   43  H   UNL     1       3.206   0.279  -1.837  1.00  0.00           H  
HETATM   44  H   UNL     1       5.092   1.993   2.350  1.00  0.00           H  
HETATM   45  H   UNL     1       5.218   1.053  -0.920  1.00  0.00           H  
HETATM   46  H   UNL     1       6.238  -0.369  -2.612  1.00  0.00           H  
HETATM   47  H   UNL     1       6.480  -2.101  -2.279  1.00  0.00           H  
HETATM   48  H   UNL     1       4.836  -1.461  -2.514  1.00  0.00           H  
HETATM   49  H   UNL     1       6.950  -0.657   1.003  1.00  0.00           H  
HETATM   50  H   UNL     1       7.679  -1.645  -0.286  1.00  0.00           H  
HETATM   51  H   UNL     1       7.507   0.114  -0.502  1.00  0.00           H  
CONECT    1   25    3    5                                            
CONECT    2   20   18   17                                            
CONECT    3    4    1   31   32                                       
CONECT    4   26   27    3   33                                       
CONECT    5    1   11   11    6                                       
CONECT    6    5   22    7    7                                       
CONECT    7    6    6   21   34                                       
CONECT    8   21   15   16   16                                       
CONECT    9   18   18   19   35                                       
CONECT   10   23   18   36   37                                       
CONECT   11   23    5    5   20                                       
CONECT   12   13   13                                                 
CONECT   13   15   14   12   12                                       
CONECT   14   13   38                                                 
CONECT   15   17   17    8   13                                       
CONECT   16    8    8                                                 
CONECT   17    2   19   15   15                                       
CONECT   18   10    2    9    9                                       
CONECT   19    9   17                                                 
CONECT   20   11   21   21    2                                       
CONECT   21   20   20    7    8                                       
CONECT   22    6                                                      
CONECT   23   24   11   10                                            
CONECT   24   23   39   40   41                                       
CONECT   25   27    1   42   43                                       
CONECT   26    4   44                                                 
CONECT   27   28    4   25   45                                       
CONECT   28   30   29   27                                            
CONECT   29   28   46   47   48                                       
CONECT   30   28   49   50   51                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
