COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1     -12.516   7.781   0.814  1.00  0.00           F  
HETATM    2  C   UNL     1     -11.495   7.089   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.224   7.638   0.231  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.180   6.928  -0.332  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.717   5.827  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.671   5.120  -0.823  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.404   5.671  -0.861  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.265   4.899  -1.475  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.589   4.045  -0.400  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.433   3.261  -1.023  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.757   2.408   0.052  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.600   1.624  -0.571  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.925   0.771   0.504  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.768  -0.014  -0.119  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.103  -0.854   0.940  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.513  -0.828   2.081  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.051  -1.634   0.620  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.405  -2.451   1.649  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.156  -3.776   1.796  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.046  -4.522   0.582  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.717  -5.784   0.613  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.332  -6.597  -0.626  1.00  0.00           C  
HETATM   23  O   UNL     1       0.087  -6.760  -0.668  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.799  -5.853  -1.881  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.509  -6.639  -3.038  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.309  -5.615  -1.788  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.990  -6.871  -1.763  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.618  -4.839  -0.505  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.130  -4.650  -0.375  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.411  -3.828   0.760  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.131  -5.572   0.621  1.00  0.00           O  
HETATM   32  C   UNL     1       1.045  -2.728   1.244  1.00  0.00           C  
HETATM   33  O   UNL     1       1.637  -3.629   2.182  1.00  0.00           O  
HETATM   34  C   UNL     1       1.831  -1.416   1.231  1.00  0.00           C  
HETATM   35  O   UNL     1       1.238  -0.515   0.294  1.00  0.00           O  
HETATM   36  C   UNL     1       3.280  -1.693   0.826  1.00  0.00           C  
HETATM   37  C   UNL     1       4.095  -0.403   0.934  1.00  0.00           C  
HETATM   38  C   UNL     1       5.544  -0.681   0.529  1.00  0.00           C  
HETATM   39  C   UNL     1       6.360   0.609   0.636  1.00  0.00           C  
HETATM   40  C   UNL     1       7.809   0.332   0.231  1.00  0.00           C  
HETATM   41  C   UNL     1       8.624   1.622   0.338  1.00  0.00           C  
HETATM   42  C   UNL     1      10.074   1.345  -0.067  1.00  0.00           C  
HETATM   43  C   UNL     1      10.889   2.635   0.041  1.00  0.00           C  
HETATM   44  C   UNL     1      12.338   2.357  -0.364  1.00  0.00           C  
HETATM   45  C   UNL     1      13.154   3.647  -0.257  1.00  0.00           C  
HETATM   46  C   UNL     1      14.603   3.370  -0.662  1.00  0.00           C  
HETATM   47  C   UNL     1      15.418   4.660  -0.554  1.00  0.00           C  
HETATM   48  C   UNL     1      16.867   4.383  -0.959  1.00  0.00           C  
HETATM   49  C   UNL     1      17.683   5.673  -0.852  1.00  0.00           C  
HETATM   50  H   UNL     1     -10.049   8.620   0.643  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.189   7.356  -0.358  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.707   5.396  -0.232  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.844   4.135  -1.233  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.648   4.252  -2.264  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.539   5.595  -1.896  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.206   4.692   0.390  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.315   3.349   0.021  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.816   2.615  -1.812  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.707   3.957  -1.444  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.374   3.055   0.842  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.483   1.712   0.473  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.984   0.977  -1.360  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.875   2.320  -0.992  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.542   1.417   1.294  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.650   0.075   0.925  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.151  -0.660  -0.908  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.042   0.683  -0.540  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.723  -1.655  -0.293  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.420  -1.918   2.600  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.724  -4.350   2.615  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.206  -3.576   2.006  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.426  -6.328   1.510  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.811  -7.575  -0.582  1.00  0.00           H  
HETATM   74  H   UNL     1       0.452  -7.221   0.100  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.281  -4.896  -1.951  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.569  -6.835  -3.156  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.641  -5.038  -2.652  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.835  -7.418  -2.545  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.131  -3.865  -0.543  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.515  -4.171  -1.275  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.609  -5.621  -0.247  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.354  -3.665   0.904  1.00  0.00           H  
HETATM   83  H   UNL     1       1.065  -3.174   0.250  1.00  0.00           H  
HETATM   84  H   UNL     1       1.585  -3.331   3.100  1.00  0.00           H  
HETATM   85  H   UNL     1       1.810  -0.970   2.226  1.00  0.00           H  
HETATM   86  H   UNL     1       1.222  -0.847  -0.614  1.00  0.00           H  
HETATM   87  H   UNL     1       3.704  -2.448   1.489  1.00  0.00           H  
HETATM   88  H   UNL     1       3.307  -2.056  -0.201  1.00  0.00           H  
HETATM   89  H   UNL     1       3.671   0.351   0.271  1.00  0.00           H  
HETATM   90  H   UNL     1       4.068  -0.041   1.961  1.00  0.00           H  
HETATM   91  H   UNL     1       5.969  -1.435   1.191  1.00  0.00           H  
HETATM   92  H   UNL     1       5.571  -1.043  -0.499  1.00  0.00           H  
HETATM   93  H   UNL     1       5.936   1.364  -0.026  1.00  0.00           H  
HETATM   94  H   UNL     1       6.333   0.972   1.664  1.00  0.00           H  
HETATM   95  H   UNL     1       8.233  -0.422   0.894  1.00  0.00           H  
HETATM   96  H   UNL     1       7.836  -0.031  -0.797  1.00  0.00           H  
HETATM   97  H   UNL     1       8.200   2.376  -0.324  1.00  0.00           H  
HETATM   98  H   UNL     1       8.597   1.985   1.366  1.00  0.00           H  
HETATM   99  H   UNL     1      10.498   0.590   0.596  1.00  0.00           H  
HETATM  100  H   UNL     1      10.101   0.982  -1.094  1.00  0.00           H  
HETATM  101  H   UNL     1      10.465   3.389  -0.622  1.00  0.00           H  
HETATM  102  H   UNL     1      10.862   2.997   1.068  1.00  0.00           H  
HETATM  103  H   UNL     1      12.762   1.603   0.298  1.00  0.00           H  
HETATM  104  H   UNL     1      12.365   1.995  -1.392  1.00  0.00           H  
HETATM  105  H   UNL     1      12.729   4.402  -0.919  1.00  0.00           H  
HETATM  106  H   UNL     1      13.127   4.010   0.771  1.00  0.00           H  
HETATM  107  H   UNL     1      15.027   2.616   0.001  1.00  0.00           H  
HETATM  108  H   UNL     1      14.630   3.007  -1.689  1.00  0.00           H  
HETATM  109  H   UNL     1      14.994   5.414  -1.217  1.00  0.00           H  
HETATM  110  H   UNL     1      15.391   5.023   0.473  1.00  0.00           H  
HETATM  111  H   UNL     1      17.292   3.628  -0.297  1.00  0.00           H  
HETATM  112  H   UNL     1      16.894   4.020  -1.987  1.00  0.00           H  
HETATM  113  H   UNL     1      18.715   5.475  -1.141  1.00  0.00           H  
HETATM  114  H   UNL     1      17.258   6.427  -1.515  1.00  0.00           H  
HETATM  115  H   UNL     1      17.656   6.035   0.176  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   50                                       
CONECT    4    3    7    7   51                                       
CONECT    5    2    6    6   52                                       
CONECT    6    5    5    7   53                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   54   55                                       
CONECT    9    8   10   56   57                                       
CONECT   10    9   11   58   59                                       
CONECT   11   10   12   60   61                                       
CONECT   12   11   13   62   63                                       
CONECT   13   12   14   64   65                                       
CONECT   14   13   15   66   67                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   68                                            
CONECT   18   17   19   32   69                                       
CONECT   19   18   20   70   71                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   31   72                                       
CONECT   22   21   23   24   73                                       
CONECT   23   22   74                                                 
CONECT   24   22   25   26   75                                       
CONECT   25   24   76                                                 
CONECT   26   24   27   28   77                                       
CONECT   27   26   78                                                 
CONECT   28   26   29   31   79                                       
CONECT   29   28   30   80   81                                       
CONECT   30   29   82                                                 
CONECT   31   21   28                                                 
CONECT   32   18   33   34   83                                       
CONECT   33   32   84                                                 
CONECT   34   32   35   36   85                                       
CONECT   35   34   86                                                 
CONECT   36   34   37   87   88                                       
CONECT   37   36   38   89   90                                       
CONECT   38   37   39   91   92                                       
CONECT   39   38   40   93   94                                       
CONECT   40   39   41   95   96                                       
CONECT   41   40   42   97   98                                       
CONECT   42   41   43   99  100                                       
CONECT   43   42   44  101  102                                       
CONECT   44   43   45  103  104                                       
CONECT   45   44   46  105  106                                       
CONECT   46   45   47  107  108                                       
CONECT   47   46   48  109  110                                       
CONECT   48   47   49  111  112                                       
CONECT   49   48  113  114  115                                       
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
CONECT  113   49                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
