COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.836   1.002  -0.375  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.512  -0.889   0.198  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.353  -2.169   0.709  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.101  -2.751   0.736  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.003  -2.057   0.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.684  -1.857  -0.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.387  -2.661  -0.123  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.224  -1.834  -0.675  1.00  0.00           C  
HETATM    9  C   UNL     1       2.774  -0.511  -0.510  1.00  0.00           C  
HETATM   10  C   UNL     1       4.276  -0.235  -0.591  1.00  0.00           C  
HETATM   11  C   UNL     1       5.035  -1.309   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1       4.688  -1.199   1.677  1.00  0.00           C  
HETATM   13  C   UNL     1       5.447  -2.273   2.459  1.00  0.00           C  
HETATM   14  C   UNL     1       6.952  -2.072   2.271  1.00  0.00           C  
HETATM   15  C   UNL     1       7.300  -2.182   0.785  1.00  0.00           C  
HETATM   16  C   UNL     1       6.541  -1.108   0.003  1.00  0.00           C  
HETATM   17  C   UNL     1       2.021   0.596  -1.201  1.00  0.00           C  
HETATM   18  CA  UNL     1       1.410   2.943  -1.440  1.00  0.00           C  
HETATM   19  C   UNL     1       1.122   4.065  -0.441  1.00  0.00           C  
HETATM   20  C   UNL     1       0.197   3.542   0.660  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.092   4.630   1.670  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.133   3.614   1.226  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.191   3.187   0.078  1.00  0.00           C  
HETATM   24  C   UNL     1       2.254   3.491  -2.592  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.161  -0.778  -0.261  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.413  -0.195  -0.287  1.00  0.00           C  
HETATM   27  N   UNL     1       2.476  -1.787  -1.165  1.00  0.00           N  
HETATM   28  N   UNL     1       2.142   1.866  -0.768  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.403   4.652   1.964  1.00  0.00           N  
HETATM   30  O   UNL     1      -8.746  -0.318   0.166  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.770  -2.630   0.279  1.00  0.00           O  
HETATM   32  O   UNL     1       0.739   5.375   2.146  1.00  0.00           O  
HETATM   33  O   UNL     1       3.434   4.105  -2.069  1.00  0.00           O  
HETATM   34  O   UNL     1       1.306   0.344  -2.148  1.00  0.00           O  
HETATM   35  O   UNL     1       1.684  -2.947   0.823  1.00  0.00           O  
HETATM   36  O   UNL     1       1.292  -3.897  -1.427  1.00  0.00           O  
HETATM   37  S   UNL     1       1.314  -2.788  -0.540  1.00  0.00           S  
HETATM   38  H   UNL     1      -9.872   1.338  -0.341  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.215   1.678   0.213  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.489   0.996  -1.408  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.208  -2.709   1.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.977  -3.747   1.135  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.590  -0.935   0.336  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.872  -1.618  -1.283  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.198  -2.901   0.924  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.480  -3.584  -0.695  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.413  -1.595  -1.721  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.131  -0.912  -0.102  1.00  0.00           H  
HETATM   49  H   UNL     1       2.469  -0.560   0.536  1.00  0.00           H  
HETATM   50  H   UNL     1       4.593  -0.252  -1.633  1.00  0.00           H  
HETATM   51  H   UNL     1       4.489   0.745  -0.163  1.00  0.00           H  
HETATM   52  H   UNL     1       4.752  -2.295  -0.176  1.00  0.00           H  
HETATM   53  H   UNL     1       4.972  -0.213   2.045  1.00  0.00           H  
HETATM   54  H   UNL     1       3.616  -1.342   1.811  1.00  0.00           H  
HETATM   55  H   UNL     1       5.200  -2.195   3.518  1.00  0.00           H  
HETATM   56  H   UNL     1       5.163  -3.259   2.091  1.00  0.00           H  
HETATM   57  H   UNL     1       7.236  -1.086   2.639  1.00  0.00           H  
HETATM   58  H   UNL     1       7.493  -2.837   2.828  1.00  0.00           H  
HETATM   59  H   UNL     1       8.372  -2.039   0.651  1.00  0.00           H  
HETATM   60  H   UNL     1       7.016  -3.168   0.417  1.00  0.00           H  
HETATM   61  H   UNL     1       6.788  -1.186  -1.056  1.00  0.00           H  
HETATM   62  H   UNL     1       6.825  -0.122   0.371  1.00  0.00           H  
HETATM   63  HA  UNL     1       0.470   2.554  -1.831  1.00  0.00           H  
HETATM   64  H   UNL     1       2.057   4.406   0.002  1.00  0.00           H  
HETATM   65  H   UNL     1       0.639   4.895  -0.956  1.00  0.00           H  
HETATM   66  H   UNL     1       0.640   2.673   1.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.060   4.020   0.821  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.345   2.765   1.875  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.393   3.760  -0.826  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.271   2.117  -0.114  1.00  0.00           H  
HETATM   71  H1  UNL     1       2.535   2.674  -3.258  1.00  0.00           H  
HETATM   72  H2  UNL     1       1.676   4.229  -3.147  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.306  -0.237  -0.638  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.537   0.801  -0.685  1.00  0.00           H  
HETATM   75  H   UNL     1       2.960  -2.046  -1.964  1.00  0.00           H  
HETATM   76  H   UNL     1       2.714   2.068  -0.010  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.815   5.273   2.585  1.00  0.00           H  
HETATM   78  H   UNL     1       4.017   4.475  -2.745  1.00  0.00           H  
CONECT    1   30   38   39   40                                       
CONECT    2   26   30    3    3                                       
CONECT    3    2    2    4   41                                       
CONECT    4    5    5    3   42                                       
CONECT    5   25   31    4    4                                       
CONECT    6   31    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7   37   47   48                                       
CONECT    9   17   27   10   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   16   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   57   58                                       
CONECT   15   16   14   59   60                                       
CONECT   16   11   15   61   62                                       
CONECT   17   28   34   34    9                                       
CONECT   18   19   24   28   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   21   23   19   66                                       
CONECT   21   32   32   29   20                                       
CONECT   22   29   23   67   68                                       
CONECT   23   22   20   69   70                                       
CONECT   24   18   33   71   72                                       
CONECT   25   26   26    5   73                                       
CONECT   26   25   25    2   74                                       
CONECT   27   37    9   75                                            
CONECT   28   18   17   76                                            
CONECT   29   21   22   77                                            
CONECT   30    2    1                                                 
CONECT   31    5    6                                                 
CONECT   32   21   21                                                 
CONECT   33   24   78                                                 
CONECT   34   17   17                                                 
CONECT   35   37   37                                                 
CONECT   36   37   37                                                 
CONECT   37   36   36   35   35                                       
CONECT   37    8   27                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   33                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
