COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.455   0.082   0.784  1.00  0.00           N  
HETATM    2  O   UNL     1       6.225   1.651   1.951  1.00  0.00           O  
HETATM    3  C   UNL     1       5.713   0.206   0.042  1.00  0.00           C  
HETATM    4  C   UNL     1       5.551   1.176  -1.108  1.00  0.00           C  
HETATM    5  C   UNL     1       4.527   1.313  -2.029  1.00  0.00           C  
HETATM    6  C   UNL     1       4.596   2.286  -3.007  1.00  0.00           C  
HETATM    7  C   UNL     1       6.806   0.823   0.941  1.00  0.00           C  
HETATM    8  C   UNL     1       6.647   2.017  -1.167  1.00  0.00           C  
HETATM    9  C   UNL     1       6.715   2.992  -2.148  1.00  0.00           C  
HETATM   10  C   UNL     1       5.691   3.127  -3.066  1.00  0.00           C  
HETATM   11  C   UNL     1       7.619   1.669  -0.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.856  -0.185  -0.327  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.355  -0.967   0.455  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.313   1.251  -0.350  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.332   1.443   0.634  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.855   2.692   0.744  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.281   3.612   1.609  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.076   3.227   2.429  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.815   4.881   1.719  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.920   5.235   0.968  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.494   4.320   0.105  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.961   3.051  -0.013  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.583   2.056  -0.958  1.00  0.00           C  
HETATM   24  C   UNL     1       0.797  -2.960   0.943  1.00  0.00           C  
HETATM   25  N   UNL     1       1.296  -1.697   0.363  1.00  0.00           N  
HETATM   26  O   UNL     1       3.768  -1.572  -0.526  1.00  0.00           O  
HETATM   27  S   UNL     1       1.027  -2.692   2.750  1.00  0.00           S  
HETATM   28  C   UNL     1       2.547  -1.674   2.533  1.00  0.00           C  
HETATM   29  C   UNL     1       3.792  -2.558   2.438  1.00  0.00           C  
HETATM   30  C   UNL     1       2.689  -0.651   3.662  1.00  0.00           C  
HETATM   31  C   UNL     1       2.256  -0.976   1.185  1.00  0.00           C  
HETATM   32  C   UNL     1       3.547  -0.845   0.419  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.451  -1.997  -1.152  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.895  -0.601  -1.175  1.00  0.00           N  
HETATM   35  O   UNL     1       0.008  -1.609  -3.039  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.381  -2.842  -2.025  1.00  0.00           C  
HETATM   37  O   UNL     1       1.263  -0.161  -1.237  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.763  -2.852  -1.423  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.682  -1.885  -1.785  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.949  -1.895  -1.232  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.297  -2.872  -0.318  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.378  -3.840   0.042  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.113  -3.833  -0.514  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.023  -2.087  -1.693  1.00  0.00           C  
HETATM   45  C   UNL     1       0.891  -1.245  -0.840  1.00  0.00           C  
HETATM   46  H   UNL     1       4.278   0.664   1.539  1.00  0.00           H  
HETATM   47  H   UNL     1       6.870   2.062   2.542  1.00  0.00           H  
HETATM   48  H   UNL     1       6.032  -0.769  -0.325  1.00  0.00           H  
HETATM   49  H   UNL     1       3.671   0.656  -1.984  1.00  0.00           H  
HETATM   50  H   UNL     1       3.795   2.391  -3.724  1.00  0.00           H  
HETATM   51  H   UNL     1       7.424   0.045   1.388  1.00  0.00           H  
HETATM   52  H   UNL     1       7.570   3.650  -2.195  1.00  0.00           H  
HETATM   53  H   UNL     1       5.747   3.889  -3.830  1.00  0.00           H  
HETATM   54  H   UNL     1       7.985   2.577   0.420  1.00  0.00           H  
HETATM   55  H   UNL     1       8.452   1.089  -0.458  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.468   1.904  -0.131  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.710   1.490  -1.336  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.169   3.459   1.871  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.080   3.785   3.365  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.108   2.158   2.642  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.369   5.598   2.393  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.336   6.228   1.056  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.358   4.599  -0.481  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.354   1.491  -0.435  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.030   2.585  -1.800  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.816   1.373  -1.324  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.257  -3.105   0.705  1.00  0.00           H  
HETATM   68  H   UNL     1       1.390  -3.807   0.599  1.00  0.00           H  
HETATM   69  H   UNL     1       3.685  -3.247   1.599  1.00  0.00           H  
HETATM   70  H   UNL     1       4.671  -1.933   2.285  1.00  0.00           H  
HETATM   71  H   UNL     1       3.906  -3.126   3.362  1.00  0.00           H  
HETATM   72  H   UNL     1       2.776  -1.172   4.616  1.00  0.00           H  
HETATM   73  H   UNL     1       3.580  -0.047   3.495  1.00  0.00           H  
HETATM   74  H   UNL     1       1.811  -0.005   3.680  1.00  0.00           H  
HETATM   75  H   UNL     1       1.867   0.022   1.384  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.476  -2.369  -0.128  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.497   0.025  -1.800  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.277  -0.690  -3.137  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.425  -2.416  -3.028  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.001  -3.862  -2.080  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.410  -1.121  -2.498  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.667  -1.138  -1.514  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.287  -2.879   0.114  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.650  -4.603   0.757  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.395  -4.589  -0.233  1.00  0.00           H  
HETATM   86  H   UNL     1       0.310  -3.124  -1.668  1.00  0.00           H  
CONECT    1    3   32   46                                            
CONECT    2    7   47                                                 
CONECT    3    1    4    7   48                                       
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   49                                       
CONECT    6    5   10   10   50                                       
CONECT    7    2    3   11   51                                       
CONECT    8    4    9    9   11                                       
CONECT    9    8    8   10   52                                       
CONECT   10    6    6    9   53                                       
CONECT   11    7    8   54   55                                       
CONECT   12   34   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   56   57                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   58   59   60                                       
CONECT   19   17   20   20   61                                       
CONECT   20   19   19   21   62                                       
CONECT   21   20   22   22   63                                       
CONECT   22   16   21   21   23                                       
CONECT   23   22   64   65   66                                       
CONECT   24   25   27   67   68                                       
CONECT   25   24   45   31                                            
CONECT   26   32   32                                                 
CONECT   27   24   28                                                 
CONECT   28   27   31   29   30                                       
CONECT   29   28   69   70   71                                       
CONECT   30   28   72   73   74                                       
CONECT   31   25   28   32   75                                       
CONECT   32    1   26   26   31                                       
CONECT   33   36   34   44   76                                       
CONECT   34   12   33   77                                            
CONECT   35   44   78                                                 
CONECT   36   33   38   79   80                                       
CONECT   37   45   45                                                 
CONECT   38   36   43   43   39                                       
CONECT   39   38   40   40   81                                       
CONECT   40   39   39   41   82                                       
CONECT   41   40   42   42   83                                       
CONECT   42   41   41   43   84                                       
CONECT   43   38   38   42   85                                       
CONECT   44   33   35   45   86                                       
CONECT   45   25   37   37   44                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
