COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.275  -0.446   0.354  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.294   2.862  -0.891  1.00  0.00           C  
HETATM    3  C   UNL     1       3.923   1.372  -1.908  1.00  0.00           C  
HETATM    4  C   UNL     1       4.818   0.324  -1.852  1.00  0.00           C  
HETATM    5  C   UNL     1       5.063  -0.141  -0.611  1.00  0.00           C  
HETATM    6  C   UNL     1       5.979  -1.253  -0.281  1.00  0.00           C  
HETATM    7  C   UNL     1       6.750  -3.497  -0.661  1.00  0.00           C  
HETATM    8  C   UNL     1       7.799  -2.139   1.018  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.473  -3.112   1.167  1.00  0.00           N  
HETATM   10  S   UNL     1      -5.367  -2.915  -0.050  1.00  0.00           S  
HETATM   11  O   UNL     1      -4.117  -3.346   0.470  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.955  -3.468  -1.219  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.215  -1.184  -0.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.036  -0.563  -1.264  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.917   0.795  -1.492  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.976   1.532  -0.797  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.156   0.912   0.126  1.00  0.00           C  
HETATM   18  S   UNL     1      -2.957   1.852   1.012  1.00  0.00           S  
HETATM   19  O   UNL     1      -3.417   3.197   1.003  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.684   1.131   2.205  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.561   1.829   0.122  1.00  0.00           N  
HETATM   22  C   UNL     1       0.099   3.448  -0.639  1.00  0.00           C  
HETATM   23  N   UNL     1       1.084   2.359  -0.594  1.00  0.00           N  
HETATM   24  C   UNL     1       2.452   2.889  -0.526  1.00  0.00           C  
HETATM   25  C   UNL     1       3.437   1.766  -0.727  1.00  0.00           C  
HETATM   26  S   UNL     1       4.124   0.781   0.557  1.00  0.00           S  
HETATM   27  C   UNL     1       5.888  -2.464  -0.969  1.00  0.00           C  
HETATM   28  C   UNL     1       7.704  -3.335   0.327  1.00  0.00           C  
HETATM   29  C   UNL     1       6.946  -1.095   0.716  1.00  0.00           C  
HETATM   30  F   UNL     1       7.045   0.075   1.383  1.00  0.00           F  
HETATM   31  C   UNL     1       0.817   1.446   0.526  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.555   0.775   0.323  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.637  -0.930   1.079  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.330   2.418  -1.885  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.042   3.651  -0.815  1.00  0.00           H  
HETATM   36  H   UNL     1       3.639   1.844  -2.838  1.00  0.00           H  
HETATM   37  H   UNL     1       5.285  -0.092  -2.732  1.00  0.00           H  
HETATM   38  H   UNL     1       6.682  -4.432  -1.196  1.00  0.00           H  
HETATM   39  H   UNL     1       8.546  -2.020   1.788  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.021  -3.912   1.200  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.572  -2.428   1.847  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.771  -1.140  -1.807  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.558   1.280  -2.213  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.883   2.593  -0.976  1.00  0.00           H  
HETATM   45  H   UNL     1       0.355   4.136  -1.444  1.00  0.00           H  
HETATM   46  H   UNL     1       0.103   3.982   0.311  1.00  0.00           H  
HETATM   47  H   UNL     1       2.591   3.638  -1.306  1.00  0.00           H  
HETATM   48  H   UNL     1       2.617   3.346   0.450  1.00  0.00           H  
HETATM   49  H   UNL     1       5.143  -2.593  -1.740  1.00  0.00           H  
HETATM   50  H   UNL     1       8.376  -4.147   0.564  1.00  0.00           H  
HETATM   51  H   UNL     1       1.594   0.682   0.565  1.00  0.00           H  
HETATM   52  H   UNL     1       0.811   2.007   1.460  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.808   0.186   1.204  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.521   0.131  -0.555  1.00  0.00           H  
CONECT    1   13   13   17   33                                       
CONECT    2   22   21   34   35                                       
CONECT    3    4   25   25   36                                       
CONECT    4    5    5    3   37                                       
CONECT    5    6    4    4   26                                       
CONECT    6   27   27   29    5                                       
CONECT    7   28   28   27   38                                       
CONECT    8   28   29   29   39                                       
CONECT    9   10   40   41                                            
CONECT   10    9   11   11   13                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10    1    1   14                                       
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   16   43                                       
CONECT   16   17   17   15   44                                       
CONECT   17   18    1   16   16                                       
CONECT   18   21   20   20   17                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   32    2   18                                            
CONECT   22   23    2   45   46                                       
CONECT   23   24   31   22                                            
CONECT   24   25   23   47   48                                       
CONECT   25    3    3   26   24                                       
CONECT   26    5   25                                                 
CONECT   27    7    6    6   49                                       
CONECT   28    7    7    8   50                                       
CONECT   29    8    8    6   30                                       
CONECT   30   29                                                      
CONECT   31   23   32   51   52                                       
CONECT   32   31   21   53   54                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
