COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.767   0.766   0.368  1.00  0.00           C  
HETATM    2  C   UNL     1       8.740   0.595  -1.009  1.00  0.00           C  
HETATM    3  C   UNL     1       7.717   0.371   1.140  1.00  0.00           C  
HETATM    4  C   UNL     1       7.640   0.027  -1.612  1.00  0.00           C  
HETATM    5  C   UNL     1       6.578  -0.214   0.551  1.00  0.00           C  
HETATM    6  C   UNL     1       6.554  -0.378  -0.838  1.00  0.00           C  
HETATM    7  C   UNL     1       4.547  -1.163   0.367  1.00  0.00           C  
HETATM    8  C   UNL     1       3.077   1.801  -0.738  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.296  -0.975   0.125  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.485   0.241   0.516  1.00  0.00           C  
HETATM   11  C   UNL     1       3.564   2.710   1.444  1.00  0.00           C  
HETATM   12  C   UNL     1       2.708   3.671   0.589  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.836  -1.199  -1.474  1.00  0.00           C  
HETATM   14  C   UNL     1       3.404   1.377   0.677  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.643  -1.522   0.524  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.633  -2.726  -1.372  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.845  -2.936  -0.062  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.314  -3.468  -0.221  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.417  -2.734   0.545  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.505  -4.980  -0.363  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.630   3.133   0.324  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.961   1.978  -1.788  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.472  -0.725  -0.338  1.00  0.00           C  
HETATM   24  C   UNL     1       2.257   0.554   1.267  1.00  0.00           C  
HETATM   25  C   UNL     1       3.231  -1.710   0.857  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.605   0.904  -0.243  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.114   2.235  -0.816  1.00  0.00           C  
HETATM   28  C   UNL     1       2.105  -0.747   0.477  1.00  0.00           C  
HETATM   29  N   UNL     1       5.448  -0.667   1.127  1.00  0.00           N  
HETATM   30  N   UNL     1       2.696   3.090  -0.759  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.739  -0.712  -0.078  1.00  0.00           N  
HETATM   32  N   UNL     1       0.811  -1.360   0.790  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.731   1.147   0.661  1.00  0.00           N  
HETATM   34  O   UNL     1       3.153   1.084  -1.713  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.208  -0.190  -0.795  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.255   0.564   1.663  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.300   1.836  -1.067  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.090   1.347   1.226  1.00  0.00           O  
HETATM   39  O   UNL     1       3.275  -1.855   2.278  1.00  0.00           O  
HETATM   40  S   UNL     1       5.021  -1.127  -1.272  1.00  0.00           S  
HETATM   41  S   UNL     1      -7.285   1.025   0.100  1.00  0.00           S  
HETATM   42  H   UNL     1       9.633   1.213   0.834  1.00  0.00           H  
HETATM   43  H   UNL     1       9.581   0.909  -1.608  1.00  0.00           H  
HETATM   44  H   UNL     1       7.757   0.508   2.211  1.00  0.00           H  
HETATM   45  H   UNL     1       7.620  -0.105  -2.684  1.00  0.00           H  
HETATM   46  H   UNL     1       4.606   3.027   1.462  1.00  0.00           H  
HETATM   47  H   UNL     1       3.165   2.629   2.456  1.00  0.00           H  
HETATM   48  H   UNL     1       1.694   3.727   0.985  1.00  0.00           H  
HETATM   49  H   UNL     1       3.160   4.663   0.570  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.055  -0.751  -2.088  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.819  -0.973  -1.887  1.00  0.00           H  
HETATM   52  H   UNL     1       4.334   0.810   0.700  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.737  -1.543   1.609  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.383  -3.264  -2.286  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.022  -3.645   0.033  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.451  -1.694   0.224  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.377  -3.209   0.343  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.208  -2.778   1.614  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.110  -5.481   0.521  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.567  -5.204  -0.464  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.974  -5.331  -1.248  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.280   4.081  -0.084  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.451   3.316   1.016  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.812   2.641   0.851  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.133   1.510  -1.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.299   1.316  -2.586  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.629   2.924  -2.217  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.310  -1.340   0.547  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.478  -0.898  -0.721  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.741  -0.989  -1.102  1.00  0.00           H  
HETATM   71  H   UNL     1       2.476   0.322   2.309  1.00  0.00           H  
HETATM   72  H   UNL     1       1.331   1.126   1.208  1.00  0.00           H  
HETATM   73  H   UNL     1       3.048  -2.682   0.399  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.926   0.254  -1.057  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.931   2.727  -1.344  1.00  0.00           H  
HETATM   76  H   UNL     1       2.155  -0.532  -0.591  1.00  0.00           H  
HETATM   77  H   UNL     1       2.446   3.574  -1.561  1.00  0.00           H  
HETATM   78  H   UNL     1       0.752  -2.043   1.477  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.568   1.379   1.589  1.00  0.00           H  
HETATM   80  H   UNL     1       3.434  -1.027   2.753  1.00  0.00           H  
CONECT    1    3    3    2   42                                       
CONECT    2    4    4    1   43                                       
CONECT    3    5    1    1   44                                       
CONECT    4    6    2    2   45                                       
CONECT    5   29    6    6    3                                       
CONECT    6   40    5    5    4                                       
CONECT    7   25   40   29   29                                       
CONECT    8   34   34   30   14                                       
CONECT    9   32   15   35   35                                       
CONECT   10   36   36   31   26                                       
CONECT   11   14   12   46   47                                       
CONECT   12   30   11   48   49                                       
CONECT   13   31   16   50   51                                       
CONECT   14    8   24   11   52                                       
CONECT   15    9   17   31   53                                       
CONECT   16   17   18   13   54                                       
CONECT   17   15   18   16   55                                       
CONECT   18   19   17   20   16                                       
CONECT   19   18   56   57   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   27   62   63   64                                       
CONECT   22   27   65   66   67                                       
CONECT   23   41   68   69   70                                       
CONECT   24   14   28   71   72                                       
CONECT   25   39   28    7   73                                       
CONECT   26   10   33   27   74                                       
CONECT   27   22   26   21   75                                       
CONECT   28   24   25   32   76                                       
CONECT   29    7    7    5                                            
CONECT   30    8   12   77                                            
CONECT   31   15   10   13                                            
CONECT   32   28    9   78                                            
CONECT   33   41   26   79                                            
CONECT   34    8    8                                                 
CONECT   35    9    9                                                 
CONECT   36   10   10                                                 
CONECT   37   41   41                                                 
CONECT   38   41   41                                                 
CONECT   39   25   80                                                 
CONECT   40    7    6                                                 
CONECT   41   23   33   38   38                                       
CONECT   41   37   37                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
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   30                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
