COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.410   5.133  -0.236  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.634   3.823  -0.086  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.634   2.396   0.953  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.312   2.305  -1.498  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.516   0.487   1.262  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.713  -0.629   1.409  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.156  -1.231   0.296  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.402  -0.717  -0.963  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.204   0.399  -1.110  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.281  -2.447   0.456  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.727  -4.244  -0.330  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.046  -5.353  -1.299  1.00  0.00           C  
HETATM   13  C   UNL     1       1.144  -1.001   1.043  1.00  0.00           C  
HETATM   14  C   UNL     1       2.037  -0.901   2.102  1.00  0.00           C  
HETATM   15  C   UNL     1       3.316  -0.428   1.883  1.00  0.00           C  
HETATM   16  C   UNL     1       2.821  -0.153  -0.446  1.00  0.00           C  
HETATM   17  C   UNL     1       5.779  -0.373  -0.716  1.00  0.00           C  
HETATM   18  S   UNL     1      -5.784   2.424  -0.185  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.761   1.001   0.003  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.655  -3.453  -0.540  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.433  -4.062   0.639  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.838  -2.057   0.259  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.293  -2.268  -0.804  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.154  -1.474   1.263  1.00  0.00           N  
HETATM   25  C   UNL     1       3.708  -0.055   0.610  1.00  0.00           C  
HETATM   26  C   UNL     1       1.541  -0.625  -0.234  1.00  0.00           C  
HETATM   27  C   UNL     1       5.104   0.461   0.375  1.00  0.00           C  
HETATM   28  O   UNL     1       5.858   0.363   1.584  1.00  0.00           O  
HETATM   29  C   UNL     1       5.039   1.924  -0.069  1.00  0.00           C  
HETATM   30  F   UNL     1       4.300   2.020  -1.253  1.00  0.00           F  
HETATM   31  F   UNL     1       4.422   2.687   0.929  1.00  0.00           F  
HETATM   32  F   UNL     1       6.335   2.403  -0.288  1.00  0.00           F  
HETATM   33  F   UNL     1       5.109  -0.183  -1.930  1.00  0.00           F  
HETATM   34  F   UNL     1       7.112   0.028  -0.852  1.00  0.00           F  
HETATM   35  F   UNL     1       5.732  -1.726  -0.365  1.00  0.00           F  
HETATM   36  H   UNL     1      -4.720   5.974  -0.177  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.917   5.146  -1.202  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.148   5.212   0.562  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.896   3.745  -0.884  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.127   3.810   0.879  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.955   0.955   2.131  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.521  -1.030   2.393  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.967  -1.188  -1.833  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.396   0.800  -2.094  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.412  -2.860   1.457  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.209  -6.050  -1.342  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.940  -5.880  -0.966  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.220  -4.932  -2.289  1.00  0.00           H  
HETATM   49  H   UNL     1       1.731  -1.192   3.096  1.00  0.00           H  
HETATM   50  H   UNL     1       4.011  -0.350   2.706  1.00  0.00           H  
HETATM   51  H   UNL     1       3.130   0.139  -1.439  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.132  -3.551  -1.351  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.562  -1.382   2.138  1.00  0.00           H  
HETATM   54  H   UNL     1       0.848  -0.698  -1.059  1.00  0.00           H  
HETATM   55  H   UNL     1       5.941  -0.538   1.924  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1   18   39   40                                       
CONECT    3   18   18                                                 
CONECT    4   18   18                                                 
CONECT    5   19   19    6   41                                       
CONECT    6    5    7    7   42                                       
CONECT    7    6    6    8   10                                       
CONECT    8    9    9    7   43                                       
CONECT    9   19    8    8   44                                       
CONECT   10    7   22   20   45                                       
CONECT   11   20   21   21   12                                       
CONECT   12   11   46   47   48                                       
CONECT   13   14   14   26   24                                       
CONECT   14   15   13   13   49                                       
CONECT   15   25   25   14   50                                       
CONECT   16   25   26   26   51                                       
CONECT   17   35   34   27   33                                       
CONECT   18    3    3    2    4                                       
CONECT   18    4   19                                                 
CONECT   19   18    5    5    9                                       
CONECT   20   10   11   52                                            
CONECT   21   11   11                                                 
CONECT   22   24   23   23   10                                       
CONECT   23   22   22                                                 
CONECT   24   13   22   53                                            
CONECT   25   27   15   15   16                                       
CONECT   26   16   16   13   54                                       
CONECT   27   29   17   25   28                                       
CONECT   28   27   55                                                 
CONECT   29   30   32   31   27                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
