COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.833   2.479  -2.469  1.00  0.00           C  
HETATM    2  C   UNL     1      10.863   2.928  -1.618  1.00  0.00           C  
HETATM    3  C   UNL     1      12.608   1.379   0.319  1.00  0.00           C  
HETATM    4  C   UNL     1      13.797   2.636   1.993  1.00  0.00           C  
HETATM    5  C   UNL     1      13.818   1.085  -0.317  1.00  0.00           C  
HETATM    6  C   UNL     1      17.278  -0.191   1.638  1.00  0.00           C  
HETATM    7  C   UNL     1      18.502  -0.407   2.530  1.00  0.00           C  
HETATM    8  C   UNL     1       2.251  -3.772  -2.615  1.00  0.00           C  
HETATM    9  C   UNL     1       0.190  -6.225  -0.707  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.365  -4.948   2.432  1.00  0.00           C  
HETATM   11  N   UNL     1       7.665   2.480  -3.099  1.00  0.00           N  
HETATM   12  N   UNL     1       9.864   3.390  -2.408  1.00  0.00           N  
HETATM   13  N   UNL     1      16.222   1.281  -0.424  1.00  0.00           N  
HETATM   14  N   UNL     1      -7.663   2.548   2.910  1.00  0.00           N  
HETATM   15  N   UNL     1      -9.865   3.430   2.193  1.00  0.00           N  
HETATM   16  N   UNL     1     -16.163   1.610   0.485  1.00  0.00           N  
HETATM   17  C   UNL     1       4.358  -2.875  -1.972  1.00  0.00           C  
HETATM   18  C   UNL     1       4.051  -1.762  -2.742  1.00  0.00           C  
HETATM   19  C   UNL     1       4.945  -0.715  -2.829  1.00  0.00           C  
HETATM   20  C   UNL     1       6.156  -0.776  -2.142  1.00  0.00           C  
HETATM   21  C   UNL     1       6.461  -1.895  -1.370  1.00  0.00           C  
HETATM   22  C   UNL     1       5.563  -2.939  -1.288  1.00  0.00           C  
HETATM   23  C   UNL     1       7.120   0.349  -2.234  1.00  0.00           C  
HETATM   24  C   UNL     1       8.331   0.301  -1.543  1.00  0.00           C  
HETATM   25  C   UNL     1       9.198   1.382  -1.669  1.00  0.00           C  
HETATM   26  C   UNL     1       6.824   1.475  -3.006  1.00  0.00           C  
HETATM   27  C   UNL     1      10.530   1.699  -1.125  1.00  0.00           C  
HETATM   28  C   UNL     1      11.338   0.862  -0.229  1.00  0.00           C  
HETATM   29  C   UNL     1      12.606   2.159   1.480  1.00  0.00           C  
HETATM   30  C   UNL     1      14.993   2.345   1.362  1.00  0.00           C  
HETATM   31  C   UNL     1      15.007   1.571   0.209  1.00  0.00           C  
HETATM   32  C   UNL     1      18.221  -1.542   3.517  1.00  0.00           C  
HETATM   33  C   UNL     1       1.390  -5.017  -2.395  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.162  -6.203   0.781  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.231  -3.700   2.614  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.340  -2.830   1.945  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.037  -1.692   2.681  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.934  -0.646   2.736  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.145  -0.731   2.052  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.446  -1.874   1.314  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.545  -2.918   1.263  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.112   0.393   2.109  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.327   0.316   1.429  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.195   1.400   1.519  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.831   2.524   2.280  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.819   1.542   2.847  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.528   1.697   0.965  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.863   2.941   1.418  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.335   0.829   0.098  1.00  0.00           C  
HETATM   50  C   UNL     1     -12.607   1.324  -0.464  1.00  0.00           C  
HETATM   51  C   UNL     1     -12.638   1.889  -1.744  1.00  0.00           C  
HETATM   52  C   UNL     1     -13.831   2.351  -2.266  1.00  0.00           C  
HETATM   53  C   UNL     1     -14.997   2.258  -1.528  1.00  0.00           C  
HETATM   54  C   UNL     1     -14.979   1.700  -0.256  1.00  0.00           C  
HETATM   55  C   UNL     1     -13.788   1.226   0.278  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.342  -0.296  -1.099  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.614  -0.695  -1.851  1.00  0.00           C  
HETATM   58  C   UNL     1     -18.397  -2.043  -2.540  1.00  0.00           C  
HETATM   59  O   UNL     1      10.960  -0.258   0.062  1.00  0.00           O  
HETATM   60  O   UNL     1      17.702   2.398   1.152  1.00  0.00           O  
HETATM   61  O   UNL     1      18.599   0.763  -0.474  1.00  0.00           O  
HETATM   62  O   UNL     1       3.473  -3.903  -1.884  1.00  0.00           O  
HETATM   63  O   UNL     1       1.003  -5.092  -1.021  1.00  0.00           O  
HETATM   64  O   UNL     1      -0.978  -5.063   1.061  1.00  0.00           O  
HETATM   65  O   UNL     1      -3.452  -3.857   1.888  1.00  0.00           O  
HETATM   66  O   UNL     1     -10.955  -0.299  -0.158  1.00  0.00           O  
HETATM   67  O   UNL     1     -18.540   1.176   0.776  1.00  0.00           O  
HETATM   68  O   UNL     1     -17.712   2.342  -1.243  1.00  0.00           O  
HETATM   69  F   UNL     1      13.830   0.332  -1.438  1.00  0.00           F  
HETATM   70  F   UNL     1      11.440   2.447   2.100  1.00  0.00           F  
HETATM   71  F   UNL     1     -13.770   0.677   1.513  1.00  0.00           F  
HETATM   72  F   UNL     1     -11.502   1.982  -2.469  1.00  0.00           F  
HETATM   73  S   UNL     1      17.611   1.155   0.469  1.00  0.00           S  
HETATM   74  S   UNL     1     -17.598   1.302  -0.281  1.00  0.00           S  
HETATM   75  H   UNL     1      11.783   3.454  -1.408  1.00  0.00           H  
HETATM   76  H   UNL     1      13.795   3.239   2.889  1.00  0.00           H  
HETATM   77  H   UNL     1      17.064  -1.107   1.087  1.00  0.00           H  
HETATM   78  H   UNL     1      16.419   0.069   2.257  1.00  0.00           H  
HETATM   79  H   UNL     1      19.361  -0.667   1.912  1.00  0.00           H  
HETATM   80  H   UNL     1      18.716   0.509   3.081  1.00  0.00           H  
HETATM   81  H   UNL     1       2.473  -3.666  -3.677  1.00  0.00           H  
HETATM   82  H   UNL     1       1.713  -2.891  -2.266  1.00  0.00           H  
HETATM   83  H   UNL     1       0.737  -7.139  -0.938  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.725  -6.190  -1.298  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.475  -4.867   3.055  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.934  -5.831   2.724  1.00  0.00           H  
HETATM   87  H   UNL     1      16.250   1.153  -1.385  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.877   4.297   2.627  1.00  0.00           H  
HETATM   89  H   UNL     1     -16.143   1.727   1.448  1.00  0.00           H  
HETATM   90  H   UNL     1       3.113  -1.715  -3.274  1.00  0.00           H  
HETATM   91  H   UNL     1       4.706   0.152  -3.428  1.00  0.00           H  
HETATM   92  H   UNL     1       7.399  -1.945  -0.837  1.00  0.00           H  
HETATM   93  H   UNL     1       5.799  -3.807  -0.689  1.00  0.00           H  
HETATM   94  H   UNL     1       8.589  -0.551  -0.931  1.00  0.00           H  
HETATM   95  H   UNL     1       5.888   1.516  -3.543  1.00  0.00           H  
HETATM   96  H   UNL     1      15.920   2.721   1.769  1.00  0.00           H  
HETATM   97  H   UNL     1      17.362  -1.281   4.135  1.00  0.00           H  
HETATM   98  H   UNL     1      18.008  -2.457   2.965  1.00  0.00           H  
HETATM   99  H   UNL     1      19.093  -1.695   4.152  1.00  0.00           H  
HETATM  100  H   UNL     1       0.499  -4.957  -3.020  1.00  0.00           H  
HETATM  101  H   UNL     1       1.961  -5.906  -2.660  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.706  -7.111   1.039  1.00  0.00           H  
HETATM  103  H   UNL     1       0.753  -6.148   1.370  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.453  -3.562   3.672  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.695  -2.828   2.239  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.098  -1.627   3.211  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.698   0.239   3.309  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.384  -1.943   0.782  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.778  -3.803   0.691  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.586  -0.558   0.849  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.879   1.606   3.375  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.785   3.457   1.193  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.854   2.786  -3.254  1.00  0.00           H  
HETATM  114  H   UNL     1     -15.926   2.622  -1.942  1.00  0.00           H  
HETATM  115  H   UNL     1     -17.110  -1.054  -0.351  1.00  0.00           H  
HETATM  116  H   UNL     1     -16.514  -0.215  -1.803  1.00  0.00           H  
HETATM  117  H   UNL     1     -19.442  -0.775  -1.147  1.00  0.00           H  
HETATM  118  H   UNL     1     -18.846   0.063  -2.599  1.00  0.00           H  
HETATM  119  H   UNL     1     -17.569  -1.962  -3.245  1.00  0.00           H  
HETATM  120  H   UNL     1     -18.165  -2.801  -1.792  1.00  0.00           H  
HETATM  121  H   UNL     1     -19.303  -2.327  -3.076  1.00  0.00           H  
HETATM  122  H   UNL     1       9.873   4.245  -2.868  1.00  0.00           H  
CONECT    1   25   25   11   12                                       
CONECT    2   27   27   12   75                                       
CONECT    3   28    5   29   29                                       
CONECT    4   30   30   29   76                                       
CONECT    5   69   31   31    3                                       
CONECT    6   73    7   77   78                                       
CONECT    7    6   32   79   80                                       
CONECT    8   33   62   81   82                                       
CONECT    9   34   63   83   84                                       
CONECT   10   64   35   85   86                                       
CONECT   11   26   26    1                                            
CONECT   12    1    2  122                                            
CONECT   13   31   73   87                                            
CONECT   14   46   46   45                                            
CONECT   15   48   45   88                                            
CONECT   16   54   74   89                                            
CONECT   17   62   18   18   22                                       
CONECT   18   17   17   19   90                                       
CONECT   19   18   20   20   91                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   92                                       
CONECT   22   17   21   21   93                                       
CONECT   23   20   24   24   26                                       
CONECT   24   23   23   25   94                                       
CONECT   25   24   27    1    1                                       
CONECT   26   23   11   11   95                                       
CONECT   27   28   25    2    2                                       
CONECT   28   59   59    3   27                                       
CONECT   29    3    3   70    4                                       
CONECT   30   31    4    4   96                                       
CONECT   31   13    5    5   30                                       
CONECT   32    7   97   98   99                                       
CONECT   33   63    8  100  101                                       
CONECT   34    9   64  102  103                                       
CONECT   35   65   10  104  105                                       
CONECT   36   65   37   37   41                                       
CONECT   37   36   36   38  106                                       
CONECT   38   37   39   39  107                                       
CONECT   39   38   38   40   42                                       
CONECT   40   41   41   39  108                                       
CONECT   41   36   40   40  109                                       
CONECT   42   39   43   43   46                                       
CONECT   43   42   42   44  110                                       
CONECT   44   43   47   45   45                                       
CONECT   45   44   44   14   15                                       
CONECT   46   42   14   14  111                                       
CONECT   47   49   44   48   48                                       
CONECT   48   47   47   15  112                                       
CONECT   49   66   66   50   47                                       
CONECT   50   55   49   51   51                                       
CONECT   51   50   50   52   72                                       
CONECT   52   53   53   51  113                                       
CONECT   53   54   52   52  114                                       
CONECT   54   16   55   55   53                                       
CONECT   55   71   54   54   50                                       
CONECT   56   74   57  115  116                                       
CONECT   57   56   58  117  118                                       
CONECT   58   57  119  120  121                                       
CONECT   59   28   28                                                 
CONECT   60   73   73                                                 
CONECT   61   73   73                                                 
CONECT   62    8   17                                                 
CONECT   63    9   33                                                 
CONECT   64   34   10                                                 
CONECT   65   35   36                                                 
CONECT   66   49   49                                                 
CONECT   67   74   74                                                 
CONECT   68   74   74                                                 
CONECT   69    5                                                      
CONECT   70   29                                                      
CONECT   71   55                                                      
CONECT   72   51                                                      
CONECT   73   61   61   13   60                                       
CONECT   73   60    6                                                 
CONECT   74   68   68   67   67                                       
CONECT   74   16   56                                                 
CONECT   75    2                                                      
CONECT   76    4                                                      
CONECT   77    6                                                      
CONECT   78    6                                                      
CONECT   79    7                                                      
CONECT   80    7                                                      
CONECT   81    8                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   13                                                      
CONECT   88   15                                                      
CONECT   89   16                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   24                                                      
CONECT   95   26                                                      
CONECT   96   30                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   40                                                      
CONECT  109   41                                                      
CONECT  110   43                                                      
CONECT  111   46                                                      
CONECT  112   48                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   56                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   12                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
