COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.091  -3.824   0.797  1.00  0.00           C  
HETATM    2  C   UNL     1       1.173  -4.860  -1.613  1.00  0.00           C  
HETATM    3  C   UNL     1       2.574  -0.330  -0.746  1.00  0.00           C  
HETATM    4  C   UNL     1       4.733   0.468  -0.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.835   0.608  -0.157  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.878  -0.041   0.918  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.168  -1.155  -1.089  1.00  0.00           C  
HETATM    8  C   UNL     1       0.311  -2.086   0.760  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.120  -2.031   1.303  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.917  -1.184   0.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.324   0.234   0.481  1.00  0.00           C  
HETATM   12  C   UNL     1       0.830  -0.848   0.951  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.279  -0.024   1.612  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.960  -1.062   2.393  1.00  0.00           O  
HETATM   15  C   UNL     1       2.184  -0.388   0.595  1.00  0.00           C  
HETATM   16  C   UNL     1       0.988  -3.249   0.160  1.00  0.00           C  
HETATM   17  C   UNL     1       2.725  -4.907   0.228  1.00  0.00           C  
HETATM   18  C   UNL     1       2.269  -5.428  -0.976  1.00  0.00           C  
HETATM   19  C   UNL     1       0.529  -3.780  -1.049  1.00  0.00           C  
HETATM   20  C   UNL     1       3.843   0.094  -1.074  1.00  0.00           C  
HETATM   21  C   UNL     1       4.347   0.418   1.258  1.00  0.00           C  
HETATM   22  C   UNL     1       3.082  -0.010   1.597  1.00  0.00           C  
HETATM   23  O   UNL     1       2.897  -6.496  -1.533  1.00  0.00           O  
HETATM   24  O   UNL     1       5.984   0.885  -0.403  1.00  0.00           O  
HETATM   25  S   UNL     1      -2.603   1.395   1.034  1.00  0.00           S  
HETATM   26  N   UNL     1      -3.699   1.423  -0.208  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.754   0.760   0.872  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.089  -0.998  -0.063  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.047  -0.351  -1.140  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.329   0.853   2.129  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.090   2.719   1.078  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.479   2.302  -1.359  1.00  0.00           C  
HETATM   33  C   UNL     1       6.847   1.255   0.674  1.00  0.00           C  
HETATM   34  C   UNL     1       8.182   1.687   0.122  1.00  0.00           C  
HETATM   35  C   UNL     1       8.399   3.013  -0.203  1.00  0.00           C  
HETATM   36  C   UNL     1       9.623   3.409  -0.710  1.00  0.00           C  
HETATM   37  C   UNL     1      10.629   2.479  -0.892  1.00  0.00           C  
HETATM   38  C   UNL     1      10.411   1.153  -0.568  1.00  0.00           C  
HETATM   39  C   UNL     1       9.190   0.758  -0.055  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.290   3.587  -1.182  1.00  0.00           C  
HETATM   41  F   UNL     1      -5.638   3.266  -0.995  1.00  0.00           F  
HETATM   42  F   UNL     1      -3.818   4.286  -0.066  1.00  0.00           F  
HETATM   43  F   UNL     1      -4.155   4.385  -2.323  1.00  0.00           F  
HETATM   44  O   UNL     1      -8.196  -1.787  -0.017  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.349  -2.752  -1.060  1.00  0.00           C  
HETATM   46  H   UNL     1       2.449  -3.417   1.731  1.00  0.00           H  
HETATM   47  H   UNL     1       0.820  -5.271  -2.547  1.00  0.00           H  
HETATM   48  H   UNL     1       1.883  -0.621  -1.524  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.595   0.080   1.717  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.333  -1.901  -1.853  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.557  -2.991   1.578  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.728  -1.533  -0.752  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.984  -1.198   0.486  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.837   0.596  -0.424  1.00  0.00           H  
HETATM   55  H   UNL     1       0.051   0.860   2.158  1.00  0.00           H  
HETATM   56  H   UNL     1       3.577  -5.352   0.720  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.323  -3.339  -1.545  1.00  0.00           H  
HETATM   58  H   UNL     1       4.148   0.135  -2.110  1.00  0.00           H  
HETATM   59  H   UNL     1       5.042   0.710   2.032  1.00  0.00           H  
HETATM   60  H   UNL     1       2.783  -0.050   2.634  1.00  0.00           H  
HETATM   61  H   UNL     1       2.541  -7.351  -1.255  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.591   1.505   1.637  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.334  -0.467  -1.943  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.420   2.548  -1.431  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.797   1.794  -2.270  1.00  0.00           H  
HETATM   66  H   UNL     1       6.401   2.079   1.231  1.00  0.00           H  
HETATM   67  H   UNL     1       6.988   0.401   1.337  1.00  0.00           H  
HETATM   68  H   UNL     1       7.613   3.740  -0.061  1.00  0.00           H  
HETATM   69  H   UNL     1       9.792   4.445  -0.963  1.00  0.00           H  
HETATM   70  H   UNL     1      11.585   2.788  -1.288  1.00  0.00           H  
HETATM   71  H   UNL     1      11.199   0.427  -0.706  1.00  0.00           H  
HETATM   72  H   UNL     1       9.020  -0.278   0.198  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.271  -3.312  -0.904  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.392  -2.242  -2.023  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.501  -3.436  -1.050  1.00  0.00           H  
CONECT    1   17   16   16   46                                       
CONECT    2   18   19   19   47                                       
CONECT    3   15   15   20   48                                       
CONECT    4   21   24   20   20                                       
CONECT    5   27   27   29   26                                       
CONECT    6   28   28   27   49                                       
CONECT    7   28   29   29   50                                       
CONECT    8   16   12   12    9                                       
CONECT    9    8   10   14   51                                       
CONECT   10   11    9   52   53                                       
CONECT   11   10   25   13   54                                       
CONECT   12   15    8    8   13                                       
CONECT   13   11   12   14   55                                       
CONECT   14   13    9                                                 
CONECT   15   22   12    3    3                                       
CONECT   16    1    1   19    8                                       
CONECT   17   18   18    1   56                                       
CONECT   18   23   17   17    2                                       
CONECT   19    2    2   16   57                                       
CONECT   20    4    4    3   58                                       
CONECT   21   22   22    4   59                                       
CONECT   22   21   21   15   60                                       
CONECT   23   18   61                                                 
CONECT   24   33    4                                                 
CONECT   25   30   30   11   26                                       
CONECT   25   31   31                                                 
CONECT   26    5   25   32                                            
CONECT   27    6    5    5   62                                       
CONECT   28   44    6    6    7                                       
CONECT   29    7    7    5   63                                       
CONECT   30   25   25                                                 
CONECT   31   25   25                                                 
CONECT   32   26   40   64   65                                       
CONECT   33   34   24   66   67                                       
CONECT   34   39   33   35   35                                       
CONECT   35   34   34   36   68                                       
CONECT   36   37   37   35   69                                       
CONECT   37   38   36   36   70                                       
CONECT   38   39   39   37   71                                       
CONECT   39   38   38   34   72                                       
CONECT   40   32   43   41   42                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40                                                      
CONECT   44   45   28                                                 
CONECT   45   44   73   74   75                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   45                                                      
CONECT   74   45                                                      
CONECT   75   45                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
