COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.468  -7.786   2.799  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.652  -7.783   1.491  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.904  -6.682   0.816  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.985  -5.510   1.436  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.798  -5.460   2.828  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.530  -6.662   3.505  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.336  -6.674   4.875  1.00  0.00           N  
HETATM    8  N   UNL     1      -5.931  -4.165   3.202  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.183  -3.435   2.154  1.00  0.00           C  
HETATM   10  N   UNL     1      -6.226  -4.219   1.040  1.00  0.00           N  
HETATM   11  P   UNL     1      -6.397   2.009  -1.092  1.00  0.00           P  
HETATM   12  P   UNL     1      -4.426   4.201  -1.404  1.00  0.00           P  
HETATM   13  P   UNL     1       0.720   5.419   0.804  1.00  0.00           P  
HETATM   14  P   UNL     1       3.591   4.701   0.964  1.00  0.00           P  
HETATM   15  P   UNL     1      -1.845   5.466  -0.682  1.00  0.00           P  
HETATM   16  P   UNL     1       5.722   2.703   1.466  1.00  0.00           P  
HETATM   17  C   UNL     1      -6.483  -3.766  -0.329  1.00  0.00           C  
HETATM   18  C   UNL     1       6.792  -2.890   0.080  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.990   2.291   0.378  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.162   5.087  -0.475  1.00  0.00           O  
HETATM   21  O   UNL     1       0.275   5.391   2.351  1.00  0.00           O  
HETATM   22  O   UNL     1       3.719   5.237   2.337  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.526   6.356  -1.985  1.00  0.00           O  
HETATM   24  N   UNL     1       7.565  -6.545  -3.529  1.00  0.00           N  
HETATM   25  O   UNL     1       6.960   3.310   0.636  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.993  -3.868  -0.664  1.00  0.00           C  
HETATM   27  O   UNL     1      -8.322  -5.175  -1.140  1.00  0.00           O  
HETATM   28  C   UNL     1       7.735  -3.243   1.251  1.00  0.00           C  
HETATM   29  O   UNL     1       7.370  -4.499   1.826  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.303   2.586  -2.109  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.685   4.678  -2.920  1.00  0.00           O  
HETATM   32  O   UNL     1       1.020   6.812   0.402  1.00  0.00           O  
HETATM   33  O   UNL     1       4.258   5.731  -0.079  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.472   6.315   0.355  1.00  0.00           O  
HETATM   35  C   UNL     1       6.876  -6.627  -2.405  1.00  0.00           C  
HETATM   36  O   UNL     1       5.845   3.090   2.889  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.148  -2.816  -1.788  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.111  -3.444  -3.071  1.00  0.00           O  
HETATM   39  C   UNL     1       7.518  -2.099   2.266  1.00  0.00           C  
HETATM   40  O   UNL     1       7.012  -2.614   3.500  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.942   2.687  -1.222  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.851   4.273  -1.080  1.00  0.00           O  
HETATM   43  O   UNL     1       2.033   4.509   0.606  1.00  0.00           O  
HETATM   44  O   UNL     1       4.342   3.280   0.870  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.475   4.843  -0.109  1.00  0.00           O  
HETATM   46  N   UNL     1       6.760  -5.614  -1.572  1.00  0.00           N  
HETATM   47  C   UNL     1      -6.931  -1.887  -1.607  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.201  -2.356  -0.460  1.00  0.00           O  
HETATM   49  C   UNL     1       6.469  -1.190   1.589  1.00  0.00           C  
HETATM   50  O   UNL     1       6.603  -1.461   0.176  1.00  0.00           O  
HETATM   51  C   UNL     1       7.343  -4.449  -1.836  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.403  -0.451  -1.374  1.00  0.00           C  
HETATM   53  O   UNL     1      -6.271   0.420  -1.324  1.00  0.00           O  
HETATM   54  C   UNL     1       6.773   0.281   1.879  1.00  0.00           C  
HETATM   55  O   UNL     1       5.729   1.098   1.343  1.00  0.00           O  
HETATM   56  C   UNL     1       8.088  -4.311  -3.020  1.00  0.00           C  
HETATM   57  C   UNL     1       8.183  -5.421  -3.877  1.00  0.00           C  
HETATM   58  N   UNL     1       8.903  -5.344  -5.056  1.00  0.00           N  
HETATM   59  N   UNL     1       8.568  -3.045  -3.044  1.00  0.00           N  
HETATM   60  C   UNL     1       8.175  -2.412  -1.977  1.00  0.00           C  
HETATM   61  N   UNL     1       7.416  -3.236  -1.200  1.00  0.00           N  
HETATM   62  H   UNL     1      -5.593  -8.720   0.956  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.384  -5.847   5.379  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.152  -7.510   5.331  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.335  -2.366   2.166  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.892  -4.343  -1.040  1.00  0.00           H  
HETATM   67  H   UNL     1       5.839  -3.407   0.189  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.446   1.940   1.096  1.00  0.00           H  
HETATM   69  H   UNL     1       0.062   4.508   2.683  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.113   5.863  -2.707  1.00  0.00           H  
HETATM   71  H   UNL     1       6.945   3.096  -0.307  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.602  -3.607   0.201  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.256  -5.289  -1.363  1.00  0.00           H  
HETATM   74  H   UNL     1       8.772  -3.263   0.914  1.00  0.00           H  
HETATM   75  H   UNL     1       7.930  -4.771   2.567  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.232   4.141  -3.584  1.00  0.00           H  
HETATM   77  H   UNL     1       4.210   5.443  -1.001  1.00  0.00           H  
HETATM   78  H   UNL     1       6.390  -7.559  -2.161  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.077  -2.259  -1.664  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.821  -4.083  -3.217  1.00  0.00           H  
HETATM   81  H   UNL     1       8.447  -1.554   2.432  1.00  0.00           H  
HETATM   82  H   UNL     1       7.606  -3.239   3.939  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.296  -1.932  -2.491  1.00  0.00           H  
HETATM   84  H   UNL     1       5.467  -1.445   1.932  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.059  -0.147  -2.190  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.947  -0.395  -0.431  1.00  0.00           H  
HETATM   87  H   UNL     1       6.835   0.433   2.957  1.00  0.00           H  
HETATM   88  H   UNL     1       7.721   0.555   1.418  1.00  0.00           H  
HETATM   89  H   UNL     1       8.961  -6.117  -5.640  1.00  0.00           H  
HETATM   90  H   UNL     1       9.349  -4.518  -5.299  1.00  0.00           H  
HETATM   91  H   UNL     1       8.414  -1.386  -1.741  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   62                                       
CONECT    3    2    2    4                                            
CONECT    4    3   10    5    5                                       
CONECT    5    4    4    8    6                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   63   64                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   65                                       
CONECT   10    4    9   17                                            
CONECT   11   30   30   41   19                                       
CONECT   11   53                                                      
CONECT   12   20   20   42   31                                       
CONECT   12   41                                                      
CONECT   13   32   32   21   43                                       
CONECT   13   45                                                      
CONECT   14   44   22   22   43                                       
CONECT   14   33                                                      
CONECT   15   45   34   34   23                                       
CONECT   15   42                                                      
CONECT   16   55   36   36   25                                       
CONECT   16   44                                                      
CONECT   17   10   48   26   66                                       
CONECT   18   28   61   50   67                                       
CONECT   19   11   68                                                 
CONECT   20   12   12                                                 
CONECT   21   13   69                                                 
CONECT   22   14   14                                                 
CONECT   23   15   70                                                 
CONECT   24   35   35   57                                            
CONECT   25   16   71                                                 
CONECT   26   17   37   27   72                                       
CONECT   27   26   73                                                 
CONECT   28   18   29   39   74                                       
CONECT   29   28   75                                                 
CONECT   30   11   11                                                 
CONECT   31   12   76                                                 
CONECT   32   13   13                                                 
CONECT   33   14   77                                                 
CONECT   34   15   15                                                 
CONECT   35   24   24   46   78                                       
CONECT   36   16   16                                                 
CONECT   37   26   47   38   79                                       
CONECT   38   37   80                                                 
CONECT   39   28   40   49   81                                       
CONECT   40   39   82                                                 
CONECT   41   11   12                                                 
CONECT   42   12   15                                                 
CONECT   43   13   14                                                 
CONECT   44   14   16                                                 
CONECT   45   13   15                                                 
CONECT   46   35   51   51                                            
CONECT   47   37   52   48   83                                       
CONECT   48   17   47                                                 
CONECT   49   39   50   54   84                                       
CONECT   50   18   49                                                 
CONECT   51   46   46   61   56                                       
CONECT   52   47   53   85   86                                       
CONECT   53   11   52                                                 
CONECT   54   49   55   87   88                                       
CONECT   55   16   54                                                 
CONECT   56   51   57   57   59                                       
CONECT   57   24   56   56   58                                       
CONECT   58   57   89   90                                            
CONECT   59   56   60   60                                            
CONECT   60   59   59   61   91                                       
CONECT   61   18   51   60                                            
CONECT   62    2                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    9                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   47                                                      
CONECT   84   49                                                      
CONECT   85   52                                                      
CONECT   86   52                                                      
CONECT   87   54                                                      
CONECT   88   54                                                      
CONECT   89   58                                                      
CONECT   90   58                                                      
CONECT   91   60                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
