COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.238  -1.924  -4.082  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.144  -1.901  -4.131  1.00  0.00           C  
HETATM    3  C   UNL     1       0.896  -1.561  -2.924  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.876  -1.515  -3.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.062   1.691   0.234  1.00  0.00           C  
HETATM    6  C   UNL     1       4.739  -1.585   1.958  1.00  0.00           C  
HETATM    7  C   UNL     1       5.014  -1.167  -0.385  1.00  0.00           C  
HETATM    8  C   UNL     1       2.890   1.767   1.947  1.00  0.00           C  
HETATM    9  C   UNL     1       3.398   1.765  -0.394  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.405   1.352   0.239  1.00  0.00           C  
HETATM   11  C   UNL     1       5.981  -2.188   1.999  1.00  0.00           C  
HETATM   12  C   UNL     1       6.257  -1.769  -0.349  1.00  0.00           C  
HETATM   13  C   UNL     1       3.042   3.139   1.982  1.00  0.00           C  
HETATM   14  C   UNL     1       3.551   3.137  -0.365  1.00  0.00           C  
HETATM   15  C   UNL     1       0.164  -1.171  -1.802  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.515  -0.444   1.193  1.00  0.00           C  
HETATM   17  C   UNL     1       4.256  -1.075   0.768  1.00  0.00           C  
HETATM   18  C   UNL     1       3.067   1.080   0.761  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.230  -1.150  -1.859  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.118   0.805   0.705  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.814   0.120   0.719  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.872  -0.787   1.199  1.00  0.00           C  
HETATM   23  C   UNL     1       6.744  -2.282   0.845  1.00  0.00           C  
HETATM   24  C   UNL     1       3.373   3.829   0.825  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.929   3.326  -2.865  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.446   2.804  -1.781  1.00  0.00           C  
HETATM   27  C   UNL     1       0.862  -0.781  -0.558  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.508  -1.395   1.698  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.821  -1.853   1.000  1.00  0.00           C  
HETATM   30  C   UNL     1       8.696  -2.935  -0.345  1.00  0.00           C  
HETATM   31  C   UNL     1       3.865   5.823  -0.373  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.029  -0.728  -0.652  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.659   1.182   0.695  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.736   1.326  -1.721  1.00  0.00           C  
HETATM   35  C   UNL     1       2.901  -0.417   0.726  1.00  0.00           C  
HETATM   36  N   UNL     1       2.209  -0.803  -0.507  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.047   0.738  -0.564  1.00  0.00           N  
HETATM   38  O   UNL     1      -3.072  -2.397   0.909  1.00  0.00           O  
HETATM   39  O   UNL     1       0.222  -0.442   0.417  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.072  -1.276   2.826  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.054  -0.442   0.829  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.518  -1.913   1.609  1.00  0.00           O  
HETATM   43  O   UNL     1       7.967  -2.874   0.882  1.00  0.00           O  
HETATM   44  O   UNL     1       3.523   5.179   0.856  1.00  0.00           O  
HETATM   45  H   UNL     1       0.804  -2.230  -4.949  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.654  -2.185  -5.040  1.00  0.00           H  
HETATM   47  H   UNL     1       1.975  -1.580  -2.887  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.955  -1.498  -3.068  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.752   2.654  -0.146  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.137   2.054  -0.132  1.00  0.00           H  
HETATM   51  H   UNL     1       4.143  -1.516   2.856  1.00  0.00           H  
HETATM   52  H   UNL     1       6.358  -2.587   2.930  1.00  0.00           H  
HETATM   53  H   UNL     1       4.635  -0.767  -1.314  1.00  0.00           H  
HETATM   54  H   UNL     1       6.849  -1.841  -1.250  1.00  0.00           H  
HETATM   55  H   UNL     1       2.636   1.229   2.849  1.00  0.00           H  
HETATM   56  H   UNL     1       2.903   3.675   2.909  1.00  0.00           H  
HETATM   57  H   UNL     1       3.536   1.226  -1.320  1.00  0.00           H  
HETATM   58  H   UNL     1       3.810   3.671  -1.267  1.00  0.00           H  
HETATM   59  H   UNL     1       2.315  -0.738   1.587  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.050  -1.099  -0.745  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.573  -1.141   0.247  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.562   2.264   0.784  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.154   0.702   1.533  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.712   2.698  -3.716  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.721   4.385  -2.908  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.664   3.432  -0.929  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.811   1.171  -1.621  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.384   0.849  -2.635  1.00  0.00           H  
HETATM   69  H   UNL     1       2.720  -1.074  -1.285  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.412  -2.996   1.284  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.573  -2.287   1.660  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.818  -2.360   0.036  1.00  0.00           H  
HETATM   73  H   UNL     1       9.652  -3.431  -0.175  1.00  0.00           H  
HETATM   74  H   UNL     1       8.122  -3.496  -1.082  1.00  0.00           H  
HETATM   75  H   UNL     1       8.872  -1.924  -0.713  1.00  0.00           H  
HETATM   76  H   UNL     1       3.954   6.896  -0.209  1.00  0.00           H  
HETATM   77  H   UNL     1       4.815   5.431  -0.737  1.00  0.00           H  
HETATM   78  H   UNL     1       3.086   5.631  -1.112  1.00  0.00           H  
CONECT    1    2    3    3   45                                       
CONECT    2    1    4    4   46                                       
CONECT    3    1    1   15   47                                       
CONECT    4    2    2   19   48                                       
CONECT    5   10   20   20   49                                       
CONECT    6   11   17   17   51                                       
CONECT    7   12   12   17   53                                       
CONECT    8   13   18   18   55                                       
CONECT    9   14   14   18   57                                       
CONECT   10    5   21   21   50                                       
CONECT   11    6   23   23   52                                       
CONECT   12    7    7   23   54                                       
CONECT   13    8   24   24   56                                       
CONECT   14    9    9   24   58                                       
CONECT   15    3   19   19   27                                       
CONECT   16   20   22   22   28                                       
CONECT   17    6    6    7   35                                       
CONECT   18    8    8    9   35                                       
CONECT   19    4   15   15   32                                       
CONECT   20    5    5   16   33                                       
CONECT   21   10   10   22   41                                       
CONECT   22   16   16   21   42                                       
CONECT   23   11   11   12   43                                       
CONECT   24   13   13   14   44                                       
CONECT   25   26   26   64   65                                       
CONECT   26   25   25   34   66                                       
CONECT   27   15   36   39   39                                       
CONECT   28   16   38   40   40                                       
CONECT   29   41   42   71   72                                       
CONECT   30   43   73   74   75                                       
CONECT   31   44   76   77   78                                       
CONECT   32   19   37   60   61                                       
CONECT   33   20   37   62   63                                       
CONECT   34   26   37   67   68                                       
CONECT   35   17   18   36   59                                       
CONECT   36   27   35   69                                            
CONECT   37   32   33   34                                            
CONECT   38   28   70                                                 
CONECT   39   27   27                                                 
CONECT   40   28   28                                                 
CONECT   41   21   29                                                 
CONECT   42   22   29                                                 
CONECT   43   23   30                                                 
CONECT   44   24   31                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50   10                                                      
CONECT   51    6                                                      
CONECT   52   11                                                      
CONECT   53    7                                                      
CONECT   54   12                                                      
CONECT   55    8                                                      
CONECT   56   13                                                      
CONECT   57    9                                                      
CONECT   58   14                                                      
CONECT   59   35                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
