COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       7.130   1.391   0.263  1.00  0.00           O  
HETATM    2  O   UNL     1       7.159   3.559  -1.030  1.00  0.00           O  
HETATM    3  O   UNL     1       8.675   3.394   0.980  1.00  0.00           O  
HETATM    4  O   UNL     1       9.185   2.067  -1.232  1.00  0.00           O  
HETATM    5  O   UNL     1       4.509  -0.791   0.151  1.00  0.00           O  
HETATM    6  O   UNL     1       2.622   1.213  -0.765  1.00  0.00           O  
HETATM    7  O   UNL     1       1.164   0.748  -2.903  1.00  0.00           O  
HETATM    8  O   UNL     1       1.736   3.100  -2.188  1.00  0.00           O  
HETATM    9  O   UNL     1       0.068   1.837  -0.776  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.164   3.895  -1.564  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.285   1.664  -1.935  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.078   2.709   0.468  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.872   1.902   2.569  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.624   4.030   2.967  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.315   3.401   0.650  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.036   4.099   2.320  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.712   3.358   2.126  1.00  0.00           C  
HETATM   18  C   UNL     1       5.728  -1.480   0.502  1.00  0.00           C  
HETATM   19  C   UNL     1       6.767  -0.907  -0.494  1.00  0.00           C  
HETATM   20  C   UNL     1       6.334   0.575  -0.599  1.00  0.00           C  
HETATM   21  C   UNL     1       3.966   1.125  -1.241  1.00  0.00           C  
HETATM   22  P   UNL     1       8.019   2.623  -0.271  1.00  0.00           P  
HETATM   23  P   UNL     1       1.405   1.754  -1.669  1.00  0.00           P  
HETATM   24  P   UNL     1      -1.360   2.556  -0.965  1.00  0.00           P  
HETATM   25  C   UNL     1     -10.546  -3.605  -0.249  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.184  -2.187  -0.695  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.467   1.683   0.617  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.829   0.265   1.064  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.790  -0.343   0.075  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.073   3.527   1.388  1.00  0.00           C  
HETATM   31  C   UNL     1       4.865   0.573  -0.132  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.852   5.487   2.034  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.494   4.194   0.467  1.00  0.00           O  
HETATM   34  O   UNL     1      -9.151   0.295  -0.891  1.00  0.00           O  
HETATM   35  N   UNL     1      -6.533   2.274   1.578  1.00  0.00           N  
HETATM   36  N   UNL     1      -9.250  -1.596   0.266  1.00  0.00           N  
HETATM   37  O   UNL     1       8.092  -1.015   0.032  1.00  0.00           O  
HETATM   38  C   UNL     1       7.811  -5.058   2.236  1.00  0.00           C  
HETATM   39  C   UNL     1       6.383  -6.316   0.930  1.00  0.00           C  
HETATM   40  C   UNL     1       5.808  -5.127   0.450  1.00  0.00           C  
HETATM   41  C   UNL     1       6.303  -3.906   0.939  1.00  0.00           C  
HETATM   42  C   UNL     1       4.684  -3.542  -0.512  1.00  0.00           C  
HETATM   43  N   UNL     1       5.931  -7.548   0.492  1.00  0.00           N  
HETATM   44  N   UNL     1       7.372  -6.229   1.813  1.00  0.00           N  
HETATM   45  N   UNL     1       7.300  -3.919   1.819  1.00  0.00           N  
HETATM   46  N   UNL     1       5.575  -2.925   0.315  1.00  0.00           N  
HETATM   47  N   UNL     1       4.817  -4.833  -0.425  1.00  0.00           N  
HETATM   48  C   UNL     1     -11.522  -4.222  -1.252  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.878  -5.619  -0.812  1.00  0.00           C  
HETATM   50  O   UNL     1     -11.401  -6.074   0.199  1.00  0.00           O  
HETATM   51  C   UNL     1     -12.831  -6.448  -1.635  1.00  0.00           C  
HETATM   52  H   UNL     1       9.225   4.149   0.733  1.00  0.00           H  
HETATM   53  H   UNL     1       9.788   1.447  -0.799  1.00  0.00           H  
HETATM   54  H   UNL     1       0.942  -0.155  -2.637  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.456   0.771  -1.605  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.564   1.392   1.898  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.903   1.404   2.539  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.265   1.873   3.586  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.878   3.946   4.023  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.668   3.540   2.782  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.552   5.082   2.693  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.201   4.438   0.334  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.090   2.922   0.051  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.371   3.982   3.351  1.00  0.00           H  
HETATM   65  H   UNL     1       6.013  -1.256   1.530  1.00  0.00           H  
HETATM   66  H   UNL     1       6.693  -1.403  -1.462  1.00  0.00           H  
HETATM   67  H   UNL     1       6.408   0.923  -1.629  1.00  0.00           H  
HETATM   68  H   UNL     1       4.004   0.461  -2.104  1.00  0.00           H  
HETATM   69  H   UNL     1       4.314   2.117  -1.530  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.642  -4.212  -0.200  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.012  -3.568   0.736  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.718  -2.224  -1.680  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.001   1.646  -0.367  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.371   2.290   0.569  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.925  -0.342   1.112  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.295   0.302   2.048  1.00  0.00           H  
HETATM   77  H   UNL     1       4.758   1.179   0.767  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.555   5.666   1.132  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.244   1.764   2.351  1.00  0.00           H  
HETATM   80  H   UNL     1       8.375  -1.924   0.199  1.00  0.00           H  
HETATM   81  H   UNL     1       8.617  -5.033   2.955  1.00  0.00           H  
HETATM   82  H   UNL     1       3.969  -3.033  -1.142  1.00  0.00           H  
HETATM   83  H   UNL     1       6.336  -8.362   0.831  1.00  0.00           H  
HETATM   84  H   UNL     1       5.208  -7.598  -0.153  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.426  -3.615  -1.301  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.056  -4.259  -2.237  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.269  -7.020  -2.374  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.374  -7.132  -0.983  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.537  -5.792  -2.144  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.088  -1.579  -0.744  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.962  -2.106   1.038  1.00  0.00           H  
CONECT    1   20   22                                                 
CONECT    2   22   22                                                 
CONECT    3   22   52                                                 
CONECT    4   22   53                                                 
CONECT    5   31   18                                                 
CONECT    6   23   21                                                 
CONECT    7   23   54                                                 
CONECT    8   23   23                                                 
CONECT    9   24   23                                                 
CONECT   10   24   24                                                 
CONECT   11   24   55                                                 
CONECT   12   24   15                                                 
CONECT   13   17   56   57   58                                       
CONECT   14   17   59   60   61                                       
CONECT   15   12   17   62   63                                       
CONECT   16   32   30   17   64                                       
CONECT   17   16   15   13   14                                       
CONECT   18    5   19   46   65                                       
CONECT   19   20   18   37   66                                       
CONECT   20   31    1   19   67                                       
CONECT   21    6   31   68   69                                       
CONECT   22    2    2    1    4                                       
CONECT   22    3                                                      
CONECT   23    9    8    8    6                                       
CONECT   23    7                                                      
CONECT   24   10   10   11   12                                       
CONECT   24    9                                                      
CONECT   25   48   26   70   71                                       
CONECT   26   25   36   72   90                                       
CONECT   27   28   35   73   74                                       
CONECT   28   29   27   75   76                                       
CONECT   29   36   34   34   28                                       
CONECT   30   35   33   33   16                                       
CONECT   31   21    5   20   77                                       
CONECT   32   16   78                                                 
CONECT   33   30   30                                                 
CONECT   34   29   29                                                 
CONECT   35   27   30   79                                            
CONECT   36   26   29   91                                            
CONECT   37   19   80                                                 
CONECT   38   45   45   44   81                                       
CONECT   39   40   43   44   44                                       
CONECT   40   47   41   41   39                                       
CONECT   41   46   40   40   45                                       
CONECT   42   46   47   47   82                                       
CONECT   43   39   83   84                                            
CONECT   44   39   39   38                                            
CONECT   45   41   38   38                                            
CONECT   46   18   42   41                                            
CONECT   47   42   42   40                                            
CONECT   48   49   25   85   86                                       
CONECT   49   48   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   49   87   88   89                                       
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    7                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   48                                                      
CONECT   86   48                                                      
CONECT   87   51                                                      
CONECT   88   51                                                      
CONECT   89   51                                                      
CONECT   90   26                                                      
CONECT   91   36                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
