COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.378   0.226  -0.625  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.119  -1.212  -0.848  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.998  -1.971  -1.622  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.750  -3.312  -1.827  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.633  -3.906  -1.266  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.758  -3.160  -0.498  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.991  -1.816  -0.290  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.698  -4.133  -2.662  1.00  0.00           C  
HETATM    9  F   UNL     1      -7.991  -3.611  -2.550  1.00  0.00           F  
HETATM   10  F   UNL     1      -6.294  -4.094  -4.001  1.00  0.00           F  
HETATM   11  F   UNL     1      -6.690  -5.458  -2.212  1.00  0.00           F  
HETATM   12  O   UNL     1      -6.358   0.751  -1.117  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.530   0.955   0.127  1.00  0.00           N  
HETATM   14  CA  UNL     1      -4.790   2.379   0.353  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.484   3.131   0.375  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.023   3.533   1.422  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.501   2.562   1.696  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.505   1.231   2.451  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.319   1.175   3.378  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.951   2.165   3.974  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.666  -0.018   3.534  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.828   3.355  -0.803  1.00  0.00           N  
HETATM   23  CA  UNL     1      -1.557   4.109  -0.671  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.417   3.214  -1.070  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.244   2.927  -2.236  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.375   4.556   0.780  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.178   5.328   0.895  1.00  0.00           O  
HETATM   28  N   UNL     1       0.423   2.728  -0.112  1.00  0.00           N  
HETATM   29  C   UNL     1       1.544   1.911  -0.610  1.00  0.00           C  
HETATM   30  C   UNL     1       2.524   2.810  -1.367  1.00  0.00           C  
HETATM   31  C   UNL     1       2.992   3.941  -0.448  1.00  0.00           C  
HETATM   32  O   UNL     1       3.651   2.039  -1.786  1.00  0.00           O  
HETATM   33  P   UNL     1       4.136   1.957  -3.319  1.00  0.00           P  
HETATM   34  O   UNL     1       3.006   1.527  -4.171  1.00  0.00           O  
HETATM   35  O   UNL     1       4.650   3.405  -3.798  1.00  0.00           O  
HETATM   36  O   UNL     1       5.338   0.892  -3.445  1.00  0.00           O  
HETATM   37  C   UNL     1       2.261   1.242   0.515  1.00  0.00           C  
HETATM   38  O   UNL     1       3.453   1.439   0.627  1.00  0.00           O  
HETATM   39  C   UNL     1       1.230  -1.725   2.352  1.00  0.00           C  
HETATM   40  C   UNL     1       0.280   0.481   1.861  1.00  0.00           C  
HETATM   41  C   UNL     1       3.389  -1.290   1.168  1.00  0.00           C  
HETATM   42  O   UNL     1       3.286  -1.174  -0.034  1.00  0.00           O  
HETATM   43  C   UNL     1       2.342  -0.695   2.075  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.047  -0.876   2.502  1.00  0.00           C  
HETATM   45  N   UNL     1       1.673   0.439   1.407  1.00  0.00           N  
HETATM   46  O   UNL     1      -0.354  -0.718   3.886  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.649  -1.195   4.259  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.566   0.001   4.528  1.00  0.00           C  
HETATM   49  N   UNL     1       4.440  -1.950   1.694  1.00  0.00           N  
HETATM   50  C   UNL     1       5.511  -2.435   0.821  1.00  0.00           C  
HETATM   51  C   UNL     1       6.546  -1.326   0.620  1.00  0.00           C  
HETATM   52  C   UNL     1       7.572  -1.770  -0.425  1.00  0.00           C  
HETATM   53  C   UNL     1       6.883  -1.925  -1.782  1.00  0.00           C  
HETATM   54  C   UNL     1       8.678  -0.718  -0.532  1.00  0.00           C  
HETATM   55  C   UNL     1       6.174  -3.631   1.456  1.00  0.00           C  
HETATM   56  O   UNL     1       5.790  -4.036   2.527  1.00  0.00           O  
HETATM   57  O   UNL     1       7.190  -4.245   0.831  1.00  0.00           O  
HETATM   58  C   UNL     1       7.780  -5.391   1.501  1.00  0.00           C  
HETATM   59  H   UNL     1      -6.870  -1.509  -2.060  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.446  -4.958  -1.425  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.888  -3.629  -0.063  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.307  -1.234   0.310  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.747   0.537   0.520  1.00  0.00           H  
HETATM   64  HA  UNL     1      -5.419   2.766  -0.449  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.977   3.314   2.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.528   2.885   1.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.424   1.146   3.032  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.449   0.409   1.738  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.905  -0.814   3.033  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.165   3.044  -1.658  1.00  0.00           H  
HETATM   71  HA  UNL     1      -1.582   4.982  -1.324  1.00  0.00           H  
HETATM   72  H1  UNL     1      -2.229   5.162   1.084  1.00  0.00           H  
HETATM   73  H2  UNL     1      -1.305   3.679   1.424  1.00  0.00           H  
HETATM   74  H   UNL     1       0.001   5.645   1.790  1.00  0.00           H  
HETATM   75  H   UNL     1       0.292   2.908   0.832  1.00  0.00           H  
HETATM   76  H   UNL     1       1.158   1.151  -1.290  1.00  0.00           H  
HETATM   77  H   UNL     1       2.028   3.234  -2.240  1.00  0.00           H  
HETATM   78  H   UNL     1       3.408   3.517   0.466  1.00  0.00           H  
HETATM   79  H   UNL     1       3.756   4.529  -0.956  1.00  0.00           H  
HETATM   80  H   UNL     1       2.146   4.581  -0.199  1.00  0.00           H  
HETATM   81  H   UNL     1       5.392   3.750  -3.282  1.00  0.00           H  
HETATM   82  H   UNL     1       5.681   0.791  -4.343  1.00  0.00           H  
HETATM   83  H   UNL     1       1.133  -2.415   1.514  1.00  0.00           H  
HETATM   84  H   UNL     1       1.436  -2.270   3.273  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.380   0.658   1.012  1.00  0.00           H  
HETATM   86  H   UNL     1       0.156   1.276   2.597  1.00  0.00           H  
HETATM   87  H   UNL     1       2.796  -0.369   3.011  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.874  -1.350   1.980  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.063  -1.797   3.450  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.568  -1.802   5.161  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.999   0.927   4.429  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.980  -0.073   5.533  1.00  0.00           H  
HETATM   93  H   UNL     1       4.486  -2.104   2.651  1.00  0.00           H  
HETATM   94  H   UNL     1       5.093  -2.721  -0.143  1.00  0.00           H  
HETATM   95  H   UNL     1       6.046  -0.421   0.276  1.00  0.00           H  
HETATM   96  H   UNL     1       7.053  -1.126   1.564  1.00  0.00           H  
HETATM   97  H   UNL     1       8.006  -2.724  -0.126  1.00  0.00           H  
HETATM   98  H   UNL     1       6.358  -1.003  -2.031  1.00  0.00           H  
HETATM   99  H   UNL     1       7.631  -2.135  -2.547  1.00  0.00           H  
HETATM  100  H   UNL     1       6.170  -2.749  -1.735  1.00  0.00           H  
HETATM  101  H   UNL     1       9.169  -0.607   0.435  1.00  0.00           H  
HETATM  102  H   UNL     1       9.409  -1.034  -1.277  1.00  0.00           H  
HETATM  103  H   UNL     1       8.245   0.236  -0.831  1.00  0.00           H  
HETATM  104  H   UNL     1       8.175  -5.082   2.468  1.00  0.00           H  
HETATM  105  H   UNL     1       7.020  -6.157   1.647  1.00  0.00           H  
HETATM  106  H   UNL     1       8.588  -5.792   0.890  1.00  0.00           H  
CONECT    1    2   12   12   13                                       
CONECT    2    7    7    3    1                                       
CONECT    3    4    4    2   59                                       
CONECT    4    5    8    3    3                                       
CONECT    5    6    6    4   60                                       
CONECT    6    5    5    7   61                                       
CONECT    7    6    2    2   62                                       
CONECT    8    9   11    4   10                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8                                                      
CONECT   12    1    1                                                 
CONECT   13   14   63    1                                            
CONECT   14   13   15   17   64                                       
CONECT   15   14   16   16   22                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   65   66                                       
CONECT   18   17   19   67   68                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   69   48                                            
CONECT   22   23   70   15                                            
CONECT   23   22   24   26   71                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   72   73                                       
CONECT   27   26   74                                                 
CONECT   28   29   75   24                                            
CONECT   29   28   30   37   76                                       
CONECT   30   29   31   32   77                                       
CONECT   31   30   78   79   80                                       
CONECT   32   30   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   33   36                                                      
CONECT   34   33   33                                                 
CONECT   35   33   81                                                 
CONECT   36   33   82                                                 
CONECT   37   29   38   38   45                                       
CONECT   38   37   37                                                 
CONECT   39   44   43   83   84                                       
CONECT   40   45   44   85   86                                       
CONECT   41   43   42   42   49                                       
CONECT   42   41   41                                                 
CONECT   43   45   39   41   87                                       
CONECT   44   40   46   39   88                                       
CONECT   45   40   43   37                                            
CONECT   46   44   47                                                 
CONECT   47   48   46   89   90                                       
CONECT   48   47   91   92   21                                       
CONECT   49   50   93   41                                            
CONECT   50   49   51   55   94                                       
CONECT   51   50   52   95   96                                       
CONECT   52   51   53   54   97                                       
CONECT   53   52   98   99  100                                       
CONECT   54   52  101  102  103                                       
CONECT   55   50   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55   58                                                 
CONECT   58   57  104  105  106                                       
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   53                                                      
CONECT   99   53                                                      
CONECT  100   53                                                      
CONECT  101   54                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
CONECT  104   58                                                      
CONECT  105   58                                                      
CONECT  106   58                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
