COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.245   0.752   0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.990   1.430  -1.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.197   0.263   0.937  1.00  0.00           C  
HETATM    4  C   UNL     1       0.311   1.622  -1.422  1.00  0.00           C  
HETATM    5  C   UNL     1       1.106   0.451   0.522  1.00  0.00           C  
HETATM    6  C   UNL     1       1.365   1.132  -0.661  1.00  0.00           C  
HETATM    7  N   UNL     1       2.682   1.324  -1.085  1.00  0.00           N  
HETATM    8  S   UNL     1       3.913   1.347   0.022  1.00  0.00           S  
HETATM    9  O   UNL     1       4.986   2.052  -0.586  1.00  0.00           O  
HETATM   10  O   UNL     1       3.332   1.732   1.260  1.00  0.00           O  
HETATM   11  C   UNL     1       4.462  -0.315   0.227  1.00  0.00           C  
HETATM   12  C   UNL     1       4.028  -1.058   1.309  1.00  0.00           C  
HETATM   13  C   UNL     1       5.321  -0.878  -0.698  1.00  0.00           C  
HETATM   14  C   UNL     1       5.752  -2.182  -0.538  1.00  0.00           C  
HETATM   15  C   UNL     1       4.459  -2.362   1.469  1.00  0.00           C  
HETATM   16  C   UNL     1       5.323  -2.923   0.547  1.00  0.00           C  
HETATM   17  C   UNL     1       2.974   1.504  -2.509  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.665   0.549   0.637  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.513   0.109  -0.528  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.212   1.864   1.198  1.00  0.00           C  
HETATM   21  F   UNL     1      -4.531   1.676   1.625  1.00  0.00           F  
HETATM   22  F   UNL     1      -2.425   2.273   2.280  1.00  0.00           F  
HETATM   23  F   UNL     1      -3.180   2.845   0.201  1.00  0.00           F  
HETATM   24  O   UNL     1      -2.698  -0.453   1.656  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.548   0.793  -1.056  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.361  -1.047  -1.235  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.312  -1.091  -2.211  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.058   0.029  -2.125  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.344  -2.072  -0.987  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.959  -3.214  -0.175  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.967  -4.214   0.067  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.440  -5.331   0.823  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.811   1.810  -1.591  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.399  -0.266   1.857  1.00  0.00           H  
HETATM   35  H   UNL     1       0.508   2.151  -2.342  1.00  0.00           H  
HETATM   36  H   UNL     1       1.923   0.069   1.115  1.00  0.00           H  
HETATM   37  H   UNL     1       3.354  -0.620   2.029  1.00  0.00           H  
HETATM   38  H   UNL     1       5.656  -0.299  -1.546  1.00  0.00           H  
HETATM   39  H   UNL     1       6.423  -2.621  -1.261  1.00  0.00           H  
HETATM   40  H   UNL     1       4.121  -2.943   2.315  1.00  0.00           H  
HETATM   41  H   UNL     1       5.659  -3.941   0.672  1.00  0.00           H  
HETATM   42  H   UNL     1       2.933   2.565  -2.757  1.00  0.00           H  
HETATM   43  H   UNL     1       3.970   1.119  -2.727  1.00  0.00           H  
HETATM   44  H   UNL     1       2.237   0.964  -3.103  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.244  -1.272   1.416  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.918   1.751  -0.721  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.444  -1.885  -2.931  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.892   0.293  -2.758  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.979  -2.459  -1.939  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.516  -1.635  -0.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.324  -2.827   0.776  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.787  -3.651  -0.732  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.795  -4.988   1.795  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.257  -5.812   0.286  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.628  -6.044   0.963  1.00  0.00           H  
CONECT    1    2   18    3    3                                       
CONECT    2    4    4    1   33                                       
CONECT    3    1    1    5   34                                       
CONECT    4    2    2    6   35                                       
CONECT    5    6    6    3   36                                       
CONECT    6    4    7    5    5                                       
CONECT    7    6    8   17                                            
CONECT    8   10   10    7    9                                       
CONECT    8    9   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   12   13                                       
CONECT   12   11   11   15   37                                       
CONECT   13   11   14   14   38                                       
CONECT   14   13   13   16   39                                       
CONECT   15   12   16   16   40                                       
CONECT   16   15   15   14   41                                       
CONECT   17    7   42   43   44                                       
CONECT   18   19   20    1   24                                       
CONECT   19   25   25   26   18                                       
CONECT   20   22   21   18   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   18   45                                                 
CONECT   25   28   19   19   46                                       
CONECT   26   27   19   29                                            
CONECT   27   28   28   26   47                                       
CONECT   28   27   27   25   48                                       
CONECT   29   26   30   49   50                                       
CONECT   30   29   31   51   52                                       
CONECT   31   30   32                                                 
CONECT   32   31   53   54   55                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
