COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.444  -0.682  -0.047  1.00  0.00           C  
HETATM    2  F   UNL     1       8.326   1.400   0.176  1.00  0.00           F  
HETATM    3  C   UNL     1       8.280   0.050   0.168  1.00  0.00           C  
HETATM    4  C   UNL     1       9.443  -0.682   0.036  1.00  0.00           C  
HETATM    5  F   UNL     1      10.629  -0.046  -0.086  1.00  0.00           F  
HETATM    6  C   UNL     1       9.397  -2.071   0.027  1.00  0.00           C  
HETATM    7  O   UNL     1      10.545  -2.786  -0.104  1.00  0.00           O  
HETATM    8  C   UNL     1      11.230  -3.139   1.100  1.00  0.00           C  
HETATM    9  C   UNL     1       8.180  -2.732   0.153  1.00  0.00           C  
HETATM   10  F   UNL     1       8.142  -4.082   0.145  1.00  0.00           F  
HETATM   11  C   UNL     1       7.010  -2.010   0.286  1.00  0.00           C  
HETATM   12  F   UNL     1       5.828  -2.654   0.408  1.00  0.00           F  
HETATM   13  C   UNL     1       7.052  -0.610   0.300  1.00  0.00           C  
HETATM   14  C   UNL     1       5.807   0.165   0.442  1.00  0.00           C  
HETATM   15  O   UNL     1       5.404   0.471   1.548  1.00  0.00           O  
HETATM   16  N   UNL     1       5.115   0.535  -0.654  1.00  0.00           N  
HETATM   17  C   UNL     1       3.877   1.305  -0.513  1.00  0.00           C  
HETATM   18  C   UNL     1       2.703   0.350  -0.275  1.00  0.00           C  
HETATM   19  O   UNL     1       2.897  -0.347   0.957  1.00  0.00           O  
HETATM   20  C   UNL     1       3.621   2.102  -1.796  1.00  0.00           C  
HETATM   21  O   UNL     1       3.568   1.210  -2.910  1.00  0.00           O  
HETATM   22  C   UNL     1       2.286   2.842  -1.669  1.00  0.00           C  
HETATM   23  C   UNL     1       1.994   3.593  -2.970  1.00  0.00           C  
HETATM   24  O   UNL     1       0.808   4.375  -2.812  1.00  0.00           O  
HETATM   25  O   UNL     1       1.242   1.899  -1.418  1.00  0.00           O  
HETATM   26  C   UNL     1       1.404   1.158  -0.207  1.00  0.00           C  
HETATM   27  S   UNL     1       0.000   0.029   0.003  1.00  0.00           S  
HETATM   28  C   UNL     1      -1.404   1.158   0.212  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.703   0.351   0.279  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.895  -0.348  -0.952  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.243   1.901   1.422  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.287   2.844   1.672  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.995   3.595   2.972  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.810   4.378   2.815  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.621   2.104   1.798  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.569   1.212   2.913  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.877   1.306   0.516  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.115   0.535   0.657  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.806   0.164  -0.439  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.403   0.470  -1.545  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.051  -0.610  -0.298  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.280   0.050  -0.179  1.00  0.00           C  
HETATM   43  F   UNL     1      -8.327   1.400  -0.193  1.00  0.00           F  
HETATM   44  F   UNL     1     -10.632  -0.046   0.063  1.00  0.00           F  
HETATM   45  C   UNL     1      -9.397  -2.071  -0.031  1.00  0.00           C  
HETATM   46  O   UNL     1     -10.545  -2.786   0.099  1.00  0.00           O  
HETATM   47  C   UNL     1     -11.226  -3.145  -1.105  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.180  -2.732  -0.150  1.00  0.00           C  
HETATM   49  F   UNL     1      -8.141  -4.082  -0.135  1.00  0.00           F  
HETATM   50  C   UNL     1      -7.010  -2.010  -0.282  1.00  0.00           C  
HETATM   51  F   UNL     1      -5.827  -2.654  -0.396  1.00  0.00           F  
HETATM   52  H   UNL     1      10.576  -3.747   1.725  1.00  0.00           H  
HETATM   53  H   UNL     1      12.127  -3.706   0.854  1.00  0.00           H  
HETATM   54  H   UNL     1      11.508  -2.234   1.639  1.00  0.00           H  
HETATM   55  H   UNL     1       5.436   0.291  -1.536  1.00  0.00           H  
HETATM   56  H   UNL     1       3.967   1.989   0.331  1.00  0.00           H  
HETATM   57  H   UNL     1       2.645  -0.367  -1.094  1.00  0.00           H  
HETATM   58  H   UNL     1       2.189  -0.970   1.172  1.00  0.00           H  
HETATM   59  H   UNL     1       4.425   2.823  -1.944  1.00  0.00           H  
HETATM   60  H   UNL     1       3.408   1.647  -3.757  1.00  0.00           H  
HETATM   61  H   UNL     1       2.341   3.552  -0.844  1.00  0.00           H  
HETATM   62  H   UNL     1       2.832   4.248  -3.208  1.00  0.00           H  
HETATM   63  H   UNL     1       1.852   2.876  -3.779  1.00  0.00           H  
HETATM   64  H   UNL     1       0.562   4.879  -3.600  1.00  0.00           H  
HETATM   65  H   UNL     1       1.447   1.846   0.637  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.446   1.845  -0.633  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.645  -0.365   1.099  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.185  -0.968  -1.167  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.341   3.553   0.846  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.834   4.250   3.210  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.853   2.879   3.782  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.565   4.883   3.602  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.425   2.825   1.946  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.405   1.650   3.760  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.967   1.989  -0.329  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.437   0.292   1.539  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.569  -3.756  -1.725  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.124  -3.711  -0.860  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.503  -2.242  -1.649  1.00  0.00           H  
CONECT    1   44   42   42   45                                       
CONECT    2    3                                                      
CONECT    3   13    2    4    4                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4                                                      
CONECT    6    9    9    4    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   52   53   54                                       
CONECT    9   11   10    6    6                                       
CONECT   10    9                                                      
CONECT   11   12   13   13    9                                       
CONECT   12   11                                                      
CONECT   13   14   11   11    3                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   55                                            
CONECT   17   20   18   16   56                                       
CONECT   18   26   17   19   57                                       
CONECT   19   18   58                                                 
CONECT   20   22   21   17   59                                       
CONECT   21   20   60                                                 
CONECT   22   23   25   20   61                                       
CONECT   23   24   22   62   63                                       
CONECT   24   23   64                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   18   65                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   31   66                                       
CONECT   29   30   37   28   67                                       
CONECT   30   29   68                                                 
CONECT   31   28   32                                                 
CONECT   32   35   31   33   69                                       
CONECT   33   32   34   70   71                                       
CONECT   34   33   72                                                 
CONECT   35   37   32   36   73                                       
CONECT   36   35   74                                                 
CONECT   37   29   38   35   75                                       
CONECT   38   39   37   76                                            
CONECT   39   40   40   38   41                                       
CONECT   40   39   39                                                 
CONECT   41   42   39   50   50                                       
CONECT   42   43    1    1   41                                       
CONECT   43   42                                                      
CONECT   44    1                                                      
CONECT   45    1   46   48   48                                       
CONECT   46   45   47                                                 
CONECT   47   46   77   78   79                                       
CONECT   48   45   45   50   49                                       
CONECT   49   48                                                      
CONECT   50   41   41   48   51                                       
CONECT   51   50                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   47                                                      
CONECT   78   47                                                      
CONECT   79   47                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
