COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -6.820  -2.323   0.597  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.987  -2.643  -0.339  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.452  -2.915  -1.747  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.712  -1.679  -2.259  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.544  -1.359  -1.323  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.079  -1.087   0.084  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.912  -0.767   1.020  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.246   0.538   0.578  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.204   1.684   0.779  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.949   2.550   1.582  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.340   1.741   0.067  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.068   0.759   1.357  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.080   1.556   0.701  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.056   0.645   0.018  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.705  -0.124  -0.998  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.360   2.430   1.733  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.789   1.600   2.746  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.251   3.222   1.035  1.00  0.00           C  
HETATM   19  C   UNL     1       0.512   4.052   2.070  1.00  0.00           C  
HETATM   20  O   UNL     1       1.469   4.879   1.405  1.00  0.00           O  
HETATM   21  O   UNL     1       0.649   2.316   0.394  1.00  0.00           O  
HETATM   22  C   UNL     1       0.041   1.506  -0.614  1.00  0.00           C  
HETATM   23  O   UNL     1       1.029   0.660  -1.206  1.00  0.00           O  
HETATM   24  C   UNL     1       1.955   1.349  -2.048  1.00  0.00           C  
HETATM   25  C   UNL     1       1.369   1.471  -3.457  1.00  0.00           C  
HETATM   26  C   UNL     1       2.361   2.209  -4.359  1.00  0.00           C  
HETATM   27  C   UNL     1       3.675   1.428  -4.419  1.00  0.00           C  
HETATM   28  C   UNL     1       4.260   1.305  -3.010  1.00  0.00           C  
HETATM   29  C   UNL     1       3.269   0.568  -2.108  1.00  0.00           C  
HETATM   30  O   UNL     1       3.816   0.454  -0.793  1.00  0.00           O  
HETATM   31  C   UNL     1       4.680  -0.671  -0.618  1.00  0.00           C  
HETATM   32  O   UNL     1       3.903  -1.870  -0.594  1.00  0.00           O  
HETATM   33  C   UNL     1       2.917  -1.906   0.440  1.00  0.00           C  
HETATM   34  C   UNL     1       2.132  -3.216   0.351  1.00  0.00           C  
HETATM   35  F   UNL     1       1.400  -3.241  -0.841  1.00  0.00           F  
HETATM   36  F   UNL     1       3.022  -4.295   0.375  1.00  0.00           F  
HETATM   37  F   UNL     1       1.257  -3.309   1.439  1.00  0.00           F  
HETATM   38  C   UNL     1       3.606  -1.814   1.804  1.00  0.00           C  
HETATM   39  O   UNL     1       4.461  -2.945   1.983  1.00  0.00           O  
HETATM   40  C   UNL     1       4.438  -0.530   1.862  1.00  0.00           C  
HETATM   41  O   UNL     1       5.143  -0.472   3.103  1.00  0.00           O  
HETATM   42  C   UNL     1       5.440  -0.530   0.703  1.00  0.00           C  
HETATM   43  O   UNL     1       6.172   0.697   0.705  1.00  0.00           O  
HETATM   44  H   UNL     1      -7.201  -2.129   1.599  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.135  -3.171   0.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.515  -3.524   0.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.672  -1.796  -0.368  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.768  -3.763  -1.718  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.284  -3.143  -2.414  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.331  -1.873  -3.262  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.397  -0.831  -2.288  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.860  -2.207  -1.294  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.017  -0.478  -1.688  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.764  -0.239   0.055  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.282  -0.659   2.039  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.184  -1.577   0.983  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.977   0.469  -0.476  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.923   2.495   0.231  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.559   2.191  -0.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.614  -0.025   0.756  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.115  -0.725  -1.473  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.072   3.120   2.187  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.316   2.088   3.435  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.692   3.885   0.290  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.189   4.679   2.621  1.00  0.00           H  
HETATM   66  H   UNL     1       1.026   3.386   2.763  1.00  0.00           H  
HETATM   67  H   UNL     1       1.991   5.434   2.001  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.396   2.146  -1.381  1.00  0.00           H  
HETATM   69  H   UNL     1       2.142   2.344  -1.645  1.00  0.00           H  
HETATM   70  H   UNL     1       1.182   0.476  -3.860  1.00  0.00           H  
HETATM   71  H   UNL     1       0.433   2.028  -3.414  1.00  0.00           H  
HETATM   72  H   UNL     1       1.944   2.296  -5.362  1.00  0.00           H  
HETATM   73  H   UNL     1       2.548   3.204  -3.955  1.00  0.00           H  
HETATM   74  H   UNL     1       3.488   0.432  -4.822  1.00  0.00           H  
HETATM   75  H   UNL     1       4.381   1.953  -5.061  1.00  0.00           H  
HETATM   76  H   UNL     1       5.196   0.749  -3.053  1.00  0.00           H  
HETATM   77  H   UNL     1       4.447   2.301  -2.607  1.00  0.00           H  
HETATM   78  H   UNL     1       3.082  -0.428  -2.511  1.00  0.00           H  
HETATM   79  H   UNL     1       5.391  -0.715  -1.444  1.00  0.00           H  
HETATM   80  H   UNL     1       2.235  -1.064   0.320  1.00  0.00           H  
HETATM   81  H   UNL     1       2.853  -1.797   2.592  1.00  0.00           H  
HETATM   82  H   UNL     1       4.001  -3.795   1.953  1.00  0.00           H  
HETATM   83  H   UNL     1       3.780   0.335   1.775  1.00  0.00           H  
HETATM   84  H   UNL     1       5.692   0.317   3.208  1.00  0.00           H  
HETATM   85  H   UNL     1       6.129  -1.367   0.818  1.00  0.00           H  
HETATM   86  H   UNL     1       6.823   0.767  -0.007  1.00  0.00           H  
CONECT    1    2    6   44   45                                       
CONECT    2    1    3   46   47                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    6    4   52   53                                       
CONECT    6    1    7    5   54                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7    9   12   57                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11    9   58                                                 
CONECT   12    8   13                                                 
CONECT   13   12   14   16   59                                       
CONECT   14   15   13   22   60                                       
CONECT   15   14   61                                                 
CONECT   16   13   17   18   62                                       
CONECT   17   16   63                                                 
CONECT   18   16   21   19   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20   19   67                                                 
CONECT   21   22   18                                                 
CONECT   22   14   23   21   68                                       
CONECT   23   22   24                                                 
CONECT   24   25   23   29   69                                       
CONECT   25   26   24   70   71                                       
CONECT   26   25   27   72   73                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   24   28   30   78                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   42   79                                       
CONECT   32   33   31                                                 
CONECT   33   34   32   38   80                                       
CONECT   34   35   37   33   36                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   33   40   39   81                                       
CONECT   39   38   82                                                 
CONECT   40   38   42   41   83                                       
CONECT   41   40   84                                                 
CONECT   42   31   40   43   85                                       
CONECT   43   42   86                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
