COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.960   6.670  -5.532  1.00  0.00           C  
HETATM    2  C   UNL     1       2.130   6.184   2.720  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.274   6.830  -5.126  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.634   6.587  -3.810  1.00  0.00           C  
HETATM    5  C   UNL     1       8.522  -5.594  -1.249  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.688   6.185  -2.893  1.00  0.00           C  
HETATM    7  C   UNL     1       7.080  -4.703   0.281  1.00  0.00           C  
HETATM    8  C   UNL     1       0.976   6.865   2.536  1.00  0.00           C  
HETATM    9  C   UNL     1       8.820  -4.092  -1.074  1.00  0.00           C  
HETATM   10  N   UNL     1       7.832  -3.653  -0.076  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.993   6.264  -4.617  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.582  -5.104   0.845  1.00  0.00           O  
HETATM   13  C   UNL     1      -8.116  -4.666   1.879  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.530  -5.238   3.174  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.453  -6.290   3.216  1.00  0.00           C  
HETATM   16  O   UNL     1      -9.977  -6.784   2.066  1.00  0.00           O  
HETATM   17  C   UNL     1      -9.832  -6.825   4.444  1.00  0.00           C  
HETATM   18  O   UNL     1     -10.728  -7.847   4.493  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.295  -6.319   5.615  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.382  -5.278   5.573  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.997  -4.738   4.366  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.222  -3.658   1.842  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.812  -3.089   0.556  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.813  -1.986   0.791  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.477  -1.702   1.921  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.293  -1.314  -0.256  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.322  -0.241  -0.028  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.893   0.353  -1.371  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.390  -0.715  -2.239  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.329  -1.452  -1.854  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.822  -2.528  -2.728  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.720  -3.295  -2.333  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.113  -3.054  -1.143  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.252  -4.307  -3.165  1.00  0.00           C  
HETATM   35  O   UNL     1       0.818  -5.057  -2.787  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.875  -4.550  -4.377  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.965  -3.791  -4.768  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.444  -2.789  -3.952  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.789  -1.230  -0.788  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.805   1.371  -1.146  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.121   2.615  -0.735  1.00  0.00           N  
HETATM   42  C   UNL     1      -2.063   3.605  -0.516  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.687   4.924  -0.057  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.696   5.353  -1.030  1.00  0.00           N  
HETATM   45  C   UNL     1      -3.342   5.588  -2.309  1.00  0.00           C  
HETATM   46  O   UNL     1      -2.185   5.444  -2.655  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.614   5.977   0.050  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.470   6.789  -0.840  1.00  0.00           O  
HETATM   49  N   UNL     1      -0.814   6.016   1.134  1.00  0.00           N  
HETATM   50  C   UNL     1       0.229   7.040   1.238  1.00  0.00           C  
HETATM   51  O   UNL     1      -1.645   1.071  -1.334  1.00  0.00           O  
HETATM   52  C   UNL     1      -4.357   6.019  -3.288  1.00  0.00           C  
HETATM   53  O   UNL     1      -2.704   6.106  -5.012  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.615   6.905  -6.827  1.00  0.00           O  
HETATM   55  N   UNL     1       0.628   7.354   3.731  1.00  0.00           N  
HETATM   56  N   UNL     1       1.509   6.998   4.599  1.00  0.00           N  
HETATM   57  N   UNL     1       2.428   6.295   4.036  1.00  0.00           N  
HETATM   58  O   UNL     1       4.393   4.984   3.736  1.00  0.00           O  
HETATM   59  C   UNL     1       5.508   4.382   4.192  1.00  0.00           C  
HETATM   60  O   UNL     1       5.804   4.463   5.368  1.00  0.00           O  
HETATM   61  N   UNL     1       6.296   3.691   3.345  1.00  0.00           N  
HETATM   62  C   UNL     1       7.518   3.027   3.822  1.00  0.00           C  
HETATM   63  C   UNL     1       7.497   1.569   3.350  1.00  0.00           C  
HETATM   64  N   UNL     1       7.298   1.533   1.895  1.00  0.00           N  
HETATM   65  C   UNL     1       5.996   2.102   1.520  1.00  0.00           C  
HETATM   66  C   UNL     1       5.953   3.576   1.919  1.00  0.00           C  
HETATM   67  C   UNL     1       7.435   0.228   1.402  1.00  0.00           C  
HETATM   68  C   UNL     1       6.591  -0.777   1.854  1.00  0.00           C  
HETATM   69  C   UNL     1       6.723  -2.062   1.364  1.00  0.00           C  
HETATM   70  C   UNL     1       7.699  -2.349   0.420  1.00  0.00           C  
HETATM   71  C   UNL     1       8.545  -1.344  -0.033  1.00  0.00           C  
HETATM   72  C   UNL     1       8.414  -0.058   0.456  1.00  0.00           C  
HETATM   73  F   UNL     1       9.232   0.920   0.013  1.00  0.00           F  
HETATM   74  O   UNL     1       7.410  -5.841  -0.341  1.00  0.00           O  
HETATM   75  O   UNL     1       6.181  -4.629   1.095  1.00  0.00           O  
HETATM   76  C   UNL     1       8.116  -5.896  -2.693  1.00  0.00           C  
HETATM   77  N   UNL     1       7.839  -7.327  -2.834  1.00  0.00           N  
HETATM   78  C   UNL     1       7.461  -7.827  -4.027  1.00  0.00           C  
HETATM   79  C   UNL     1       7.176  -9.299  -4.172  1.00  0.00           C  
HETATM   80  O   UNL     1       7.351  -7.091  -4.985  1.00  0.00           O  
HETATM   81  C   UNL     1       3.592   5.710   4.705  1.00  0.00           C  
HETATM   82  H   UNL     1       2.698   5.653   1.969  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.022   7.146  -5.838  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.661   6.714  -3.502  1.00  0.00           H  
HETATM   85  H   UNL     1       9.388  -6.191  -0.964  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.975   5.997  -1.869  1.00  0.00           H  
HETATM   87  H   UNL     1       9.833  -3.944  -0.701  1.00  0.00           H  
HETATM   88  H   UNL     1       8.678  -3.562  -2.016  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.467  -7.510   1.682  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.649  -7.559   4.558  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.591  -6.736   6.566  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.969  -4.889   6.492  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.281  -3.930   4.340  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.851  -3.309   2.668  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.356  -3.868  -0.056  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.684  -2.687   0.042  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.561  -1.541  -1.160  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.778   0.537   0.585  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.449  -0.643   0.487  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.748   0.834  -1.845  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.821  -0.892  -3.089  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.479  -3.560  -0.405  1.00  0.00           H  
HETATM  103  H   UNL     1       0.585  -5.850  -2.284  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.506  -5.333  -5.023  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.444  -3.988  -5.716  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.295  -2.201  -4.263  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.049   2.855  -0.585  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.378   3.241   0.249  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.518   3.765  -1.446  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.157   4.785   0.916  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.618   5.467  -0.753  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.930   5.367   1.846  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.228   8.029   1.212  1.00  0.00           H  
HETATM  114  H   UNL     1       0.922   6.938   0.403  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.165   6.904  -4.925  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.352   7.819  -7.004  1.00  0.00           H  
HETATM  117  H   UNL     1       8.393   3.532   3.412  1.00  0.00           H  
HETATM  118  H   UNL     1       7.552   3.062   4.911  1.00  0.00           H  
HETATM  119  H   UNL     1       8.444   1.092   3.600  1.00  0.00           H  
HETATM  120  H   UNL     1       6.681   1.040   3.842  1.00  0.00           H  
HETATM  121  H   UNL     1       5.856   2.011   0.443  1.00  0.00           H  
HETATM  122  H   UNL     1       5.201   1.565   2.038  1.00  0.00           H  
HETATM  123  H   UNL     1       4.952   3.973   1.748  1.00  0.00           H  
HETATM  124  H   UNL     1       6.678   4.137   1.328  1.00  0.00           H  
HETATM  125  H   UNL     1       5.832  -0.554   2.589  1.00  0.00           H  
HETATM  126  H   UNL     1       6.067  -2.843   1.716  1.00  0.00           H  
HETATM  127  H   UNL     1       9.305  -1.568  -0.766  1.00  0.00           H  
HETATM  128  H   UNL     1       7.222  -5.326  -2.946  1.00  0.00           H  
HETATM  129  H   UNL     1       8.928  -5.615  -3.365  1.00  0.00           H  
HETATM  130  H   UNL     1       7.927  -7.916  -2.068  1.00  0.00           H  
HETATM  131  H   UNL     1       7.327  -9.794  -3.212  1.00  0.00           H  
HETATM  132  H   UNL     1       6.144  -9.439  -4.494  1.00  0.00           H  
HETATM  133  H   UNL     1       7.850  -9.729  -4.912  1.00  0.00           H  
HETATM  134  H   UNL     1       4.192   6.504   5.149  1.00  0.00           H  
HETATM  135  H   UNL     1       3.258   5.027   5.485  1.00  0.00           H  
CONECT    1   54    3    3   11                                       
CONECT    2    8    8   57   82                                       
CONECT    3    1    1    4   83                                       
CONECT    4    3    6    6   84                                       
CONECT    5   74   76    9   85                                       
CONECT    6   52    4    4   86                                       
CONECT    7   74   75   75   10                                       
CONECT    8   50    2    2   55                                       
CONECT    9    5   10   87   88                                       
CONECT   10    7    9   70                                            
CONECT   11    1   53   52   52                                       
CONECT   12   13   13                                                 
CONECT   13   14   22   12   12                                       
CONECT   14   15   15   21   13                                       
CONECT   15   17   16   14   14                                       
CONECT   16   15   89                                                 
CONECT   17   18   19   19   15                                       
CONECT   18   17   90                                                 
CONECT   19   17   17   20   91                                       
CONECT   20   19   21   21   92                                       
CONECT   21   20   20   14   93                                       
CONECT   22   13   23   94                                            
CONECT   23   24   22   95   96                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   97                                            
CONECT   27   28   26   98   99                                       
CONECT   28   29   40   27  100                                       
CONECT   29   30   28  101                                            
CONECT   30   31   39   39   29                                       
CONECT   31   38   38   32   30                                       
CONECT   32   34   34   31   33                                       
CONECT   33   32  102                                                 
CONECT   34   36   35   32   32                                       
CONECT   35   34  103                                                 
CONECT   36   37   37   34  104                                       
CONECT   37   36   36   38  105                                       
CONECT   38   37   31   31  106                                       
CONECT   39   30   30                                                 
CONECT   40   28   41   51   51                                       
CONECT   41   40   42  107                                            
CONECT   42   41   43  108  109                                       
CONECT   43   42   44   47  110                                       
CONECT   44   45   43  111                                            
CONECT   45   52   44   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   43   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50  112                                            
CONECT   50   49    8  113  114                                       
CONECT   51   40   40                                                 
CONECT   52   11   11    6   45                                       
CONECT   53   11  115                                                 
CONECT   54    1  116                                                 
CONECT   55    8   56   56                                            
CONECT   56   55   55   57                                            
CONECT   57    2   56   81                                            
CONECT   58   59   81                                                 
CONECT   59   61   60   60   58                                       
CONECT   60   59   59                                                 
CONECT   61   66   59   62                                            
CONECT   62   63   61  117  118                                       
CONECT   63   64   62  119  120                                       
CONECT   64   67   65   63                                            
CONECT   65   64   66  121  122                                       
CONECT   66   65   61  123  124                                       
CONECT   67   68   68   72   64                                       
CONECT   68   69   67   67  125                                       
CONECT   69   70   70   68  126                                       
CONECT   70   10   69   69   71                                       
CONECT   71   70   72   72  127                                       
CONECT   72   71   71   67   73                                       
CONECT   73   72                                                      
CONECT   74    7    5                                                 
CONECT   75    7    7                                                 
CONECT   76   77    5  128  129                                       
CONECT   77   78   76  130                                            
CONECT   78   80   80   79   77                                       
CONECT   79   78  131  132  133                                       
CONECT   80   78   78                                                 
CONECT   81   58   57  134  135                                       
CONECT   82    2                                                      
CONECT   83    3                                                      
CONECT   84    4                                                      
CONECT   85    5                                                      
CONECT   86    6                                                      
CONECT   87    9                                                      
CONECT   88    9                                                      
CONECT   89   16                                                      
CONECT   90   18                                                      
CONECT   91   19                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   22                                                      
CONECT   95   23                                                      
CONECT   96   23                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   29                                                      
CONECT  102   33                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   62                                                      
CONECT  118   62                                                      
CONECT  119   63                                                      
CONECT  120   63                                                      
CONECT  121   65                                                      
CONECT  122   65                                                      
CONECT  123   66                                                      
CONECT  124   66                                                      
CONECT  125   68                                                      
CONECT  126   69                                                      
CONECT  127   71                                                      
CONECT  128   76                                                      
CONECT  129   76                                                      
CONECT  130   77                                                      
CONECT  131   79                                                      
CONECT  132   79                                                      
CONECT  133   79                                                      
CONECT  134   81                                                      
CONECT  135   81                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
