COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.494  -0.724  -0.964  1.00  0.00           O  
HETATM    2  C   UNL     1       5.267   0.470  -0.916  1.00  0.00           C  
HETATM    3  C   UNL     1       6.379   1.432  -0.944  1.00  0.00           C  
HETATM    4  C   UNL     1       7.634   0.996  -1.020  1.00  0.00           C  
HETATM    5  C   UNL     1       8.774   1.982  -1.048  1.00  0.00           C  
HETATM    6  C   UNL     1       9.758   1.655   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1      10.397   0.289  -0.186  1.00  0.00           C  
HETATM    8  C   UNL     1      10.849   2.726   0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      11.762   2.469   1.328  1.00  0.00           C  
HETATM   10  C   UNL     1       1.640   0.618  -1.348  1.00  0.00           C  
HETATM   11  N   UNL     1       3.996   0.912  -0.845  1.00  0.00           N  
HETATM   12  O   UNL     1       1.673   1.777  -1.704  1.00  0.00           O  
HETATM   13  F   UNL     1       7.002  -0.690   2.791  1.00  0.00           F  
HETATM   14  F   UNL     1       5.084  -4.702   1.156  1.00  0.00           F  
HETATM   15  C   UNL     1       2.887  -0.045  -0.824  1.00  0.00           C  
HETATM   16  C   UNL     1       2.649  -0.518   0.612  1.00  0.00           C  
HETATM   17  C   UNL     1       3.851  -1.289   1.093  1.00  0.00           C  
HETATM   18  C   UNL     1       6.059  -2.705   1.977  1.00  0.00           C  
HETATM   19  C   UNL     1       4.886  -0.629   1.727  1.00  0.00           C  
HETATM   20  C   UNL     1       3.915  -2.657   0.904  1.00  0.00           C  
HETATM   21  C   UNL     1       5.991  -1.336   2.170  1.00  0.00           C  
HETATM   22  C   UNL     1       5.019  -3.366   1.346  1.00  0.00           C  
HETATM   23  N   UNL     1       0.487  -0.076  -1.421  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.728   0.570  -1.931  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.407   1.307  -0.807  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.447   0.812   0.302  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.662  -0.497  -2.502  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.745  -1.608  -1.579  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.100  -0.989  -3.841  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.970   2.518  -1.017  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.373   3.454   0.033  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.237   2.809   1.059  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.721   2.637   2.156  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.003   4.684  -0.613  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.077   4.380  -2.115  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.266   3.095  -2.329  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.503   2.401   0.944  1.00  0.00           N  
HETATM   38  O   UNL     1      -5.117   0.013   0.216  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.070   1.541   2.000  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.266   0.163   1.412  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.393   2.118   2.480  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.317   2.408   1.299  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.632   2.997   1.812  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.649   3.403   0.350  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.355   2.776  -0.183  1.00  0.00           C  
HETATM   46  N   UNL     1      -5.575  -0.878   2.213  1.00  0.00           N  
HETATM   47  C   UNL     1      -5.641  -2.236   1.632  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.361  -2.475   0.879  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.423  -1.712   1.077  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.866  -2.340   0.727  1.00  0.00           C  
HETATM   51  N   UNL     1      -4.156  -3.480   0.008  1.00  0.00           N  
HETATM   52  C   UNL     1      -2.889  -3.610  -0.734  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.776  -2.452  -1.694  1.00  0.00           C  
HETATM   54  O   UNL     1      -3.621  -2.303  -2.545  1.00  0.00           O  
HETATM   55  C   UNL     1      -2.905  -4.933  -1.502  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.270  -5.576  -1.219  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.051  -4.562  -0.375  1.00  0.00           C  
HETATM   58  H   UNL     1       6.178   2.493  -0.902  1.00  0.00           H  
HETATM   59  H   UNL     1       7.835  -0.064  -1.062  1.00  0.00           H  
HETATM   60  H   UNL     1       9.285   1.919  -2.008  1.00  0.00           H  
HETATM   61  H   UNL     1       8.385   2.991  -0.908  1.00  0.00           H  
HETATM   62  H   UNL     1       9.228   1.630   1.029  1.00  0.00           H  
HETATM   63  H   UNL     1      11.099   0.056   0.615  1.00  0.00           H  
HETATM   64  H   UNL     1       9.620  -0.474  -0.222  1.00  0.00           H  
HETATM   65  H   UNL     1      10.927   0.313  -1.138  1.00  0.00           H  
HETATM   66  H   UNL     1      11.436   2.691  -0.790  1.00  0.00           H  
HETATM   67  H   UNL     1      10.388   3.709   0.226  1.00  0.00           H  
HETATM   68  H   UNL     1      12.538   3.232   1.365  1.00  0.00           H  
HETATM   69  H   UNL     1      11.174   2.504   2.246  1.00  0.00           H  
HETATM   70  H   UNL     1      12.222   1.486   1.230  1.00  0.00           H  
HETATM   71  H   UNL     1       3.815   1.865  -0.807  1.00  0.00           H  
HETATM   72  H   UNL     1       3.135  -0.901  -1.452  1.00  0.00           H  
HETATM   73  H   UNL     1       2.489   0.346   1.257  1.00  0.00           H  
HETATM   74  H   UNL     1       1.769  -1.161   0.641  1.00  0.00           H  
HETATM   75  H   UNL     1       6.921  -3.257   2.321  1.00  0.00           H  
HETATM   76  H   UNL     1       4.833   0.440   1.878  1.00  0.00           H  
HETATM   77  H   UNL     1       3.104  -3.172   0.412  1.00  0.00           H  
HETATM   78  H   UNL     1       0.460  -1.003  -1.136  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.456   1.269  -2.721  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.652  -0.073  -2.657  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.108  -1.415  -3.684  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.760  -1.751  -4.254  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.030  -0.153  -4.536  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.442   3.792   0.545  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.990   4.880  -0.206  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.362   5.557  -0.448  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.110   4.227  -2.423  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.640   5.201  -2.685  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.338   3.327  -2.853  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.848   2.388  -2.921  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.370   1.480   2.835  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.877   1.405   3.152  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.210   3.043   3.032  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.522   1.479   0.768  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.430   3.923   2.351  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.290   3.204   0.969  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.112   2.285   2.482  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.320   3.616  -0.484  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.418   4.322   0.883  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.848   3.484  -0.828  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.602   1.884  -0.764  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.755  -0.745   3.159  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.724  -2.963   2.447  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.789  -1.604  -0.073  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.916  -3.341   0.298  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.766  -2.149   1.311  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.053  -3.593  -0.036  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.794  -4.741  -2.571  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.101  -5.584  -1.161  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.793  -5.774  -2.154  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.141  -6.506  -0.663  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.439  -5.057   0.518  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.882  -4.175  -0.970  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    4   58                                       
CONECT    4    3    3    5   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    5    7    8   62                                       
CONECT    7    6   63   64   65                                       
CONECT    8    6    9   66   67                                       
CONECT    9    8   68   69   70                                       
CONECT   10   12   12   15   23                                       
CONECT   11   15   71    2                                            
CONECT   12   10   10                                                 
CONECT   13   21                                                      
CONECT   14   22                                                      
CONECT   15   10   11   16   72                                       
CONECT   16   15   17   73   74                                       
CONECT   17   16   19   19   20                                       
CONECT   18   21   21   22   75                                       
CONECT   19   17   17   21   76                                       
CONECT   20   17   22   22   77                                       
CONECT   21   13   18   18   19                                       
CONECT   22   14   18   20   20                                       
CONECT   23   24   78   10                                            
CONECT   24   23   25   27   79                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   29   80                                       
CONECT   28   27   53                                                 
CONECT   29   27   81   82   83                                       
CONECT   30   31   36   25                                            
CONECT   31   30   32   34   84                                       
CONECT   32   31   33   33   37                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   85   86                                       
CONECT   35   34   36   87   88                                       
CONECT   36   30   35   89   90                                       
CONECT   37   39   45   32                                            
CONECT   38   40   40                                                 
CONECT   39   37   41   40   91                                       
CONECT   40   38   38   39   46                                       
CONECT   41   39   42   92   93                                       
CONECT   42   41   44   43   94                                       
CONECT   43   42   95   96   97                                       
CONECT   44   42   45   98   99                                       
CONECT   45   37   44  100  101                                       
CONECT   46   47  102   40                                            
CONECT   47   46   48   50  103                                       
CONECT   48   47   49   49   51                                       
CONECT   49   48   48                                                 
CONECT   50   47  104  105  106                                       
CONECT   51   52   57   48                                            
CONECT   52   51   53   55  107                                       
CONECT   53   52   54   54   28                                       
CONECT   54   53   53                                                 
CONECT   55   52   56  108  109                                       
CONECT   56   55   57  110  111                                       
CONECT   57   51   56  112  113                                       
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70    9                                                      
CONECT   71   11                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   27                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   39                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   50                                                      
CONECT  107   52                                                      
CONECT  108   55                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
