COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.848   3.824   0.839  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.526   4.653   1.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.806   4.328   2.122  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.409   3.175   1.656  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.733   2.348   0.778  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.451   2.670   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.712   1.767  -0.580  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.772   0.534   0.361  1.00  0.00           S  
HETATM    9  C   UNL     1      -4.007  -0.387  -1.002  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.153  -1.496  -0.443  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.404  -2.413  -1.375  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.069  -1.649   0.752  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.390  -3.154  -0.620  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.383  -3.398  -2.016  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.657  -4.234  -3.039  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.337  -5.110  -3.795  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.463  -4.115  -3.179  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.196  -2.587  -0.360  1.00  0.00           C  
HETATM   19  O   UNL     1       0.008  -1.433  -0.672  1.00  0.00           O  
HETATM   20  C   UNL     1       2.339  -2.450   1.919  1.00  0.00           C  
HETATM   21  N   UNL     1       2.081  -2.543   0.550  1.00  0.00           N  
HETATM   22  C   UNL     1       0.887  -3.387   0.317  1.00  0.00           C  
HETATM   23  C   UNL     1       0.425  -3.833   1.705  1.00  0.00           C  
HETATM   24  C   UNL     1       1.410  -3.185   2.652  1.00  0.00           C  
HETATM   25  C   UNL     1       1.455  -3.256   4.031  1.00  0.00           C  
HETATM   26  C   UNL     1       2.440  -2.583   4.726  1.00  0.00           C  
HETATM   27  C   UNL     1       3.365  -1.847   4.021  1.00  0.00           C  
HETATM   28  C   UNL     1       3.326  -1.772   2.635  1.00  0.00           C  
HETATM   29  C   UNL     1       4.386  -0.939   1.991  1.00  0.00           C  
HETATM   30  C   UNL     1       4.859  -1.431   0.658  1.00  0.00           C  
HETATM   31  C   UNL     1       3.905  -1.121  -0.465  1.00  0.00           C  
HETATM   32  C   UNL     1       2.731  -2.017  -0.497  1.00  0.00           C  
HETATM   33  O   UNL     1       2.309  -2.309  -1.596  1.00  0.00           O  
HETATM   34  N   UNL     1       3.438   0.260  -0.317  1.00  0.00           N  
HETATM   35  C   UNL     1       4.144   1.272  -0.859  1.00  0.00           C  
HETATM   36  C   UNL     1       3.664   2.692  -0.707  1.00  0.00           C  
HETATM   37  O   UNL     1       5.166   1.039  -1.469  1.00  0.00           O  
HETATM   38  N   UNL     1       4.598   3.598  -1.380  1.00  0.00           N  
HETATM   39  C   UNL     1       5.717   4.004  -0.747  1.00  0.00           C  
HETATM   40  C   UNL     1       6.733   4.844  -1.477  1.00  0.00           C  
HETATM   41  O   UNL     1       5.905   3.693   0.410  1.00  0.00           O  
HETATM   42  C   UNL     1       2.276   2.831  -1.336  1.00  0.00           C  
HETATM   43  C   UNL     1       1.732   4.208  -1.054  1.00  0.00           C  
HETATM   44  O   UNL     1       0.573   4.598  -1.606  1.00  0.00           O  
HETATM   45  O   UNL     1       2.340   4.960  -0.330  1.00  0.00           O  
HETATM   46  H   UNL     1      -4.848   4.078   0.520  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.055   5.554   2.078  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.335   4.975   2.806  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.409   2.921   1.975  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.204   1.447   0.413  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.028   2.360  -1.187  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.427   1.261  -1.229  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.387   0.287  -1.593  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.786  -0.812  -1.635  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.919  -1.824  -2.153  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.579  -4.053  -0.307  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.802  -4.048  -1.248  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.188  -2.846  -2.503  1.00  0.00           H  
HETATM   59  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   60  H   UNL     1       1.150  -4.254  -0.290  1.00  0.00           H  
HETATM   61  H   UNL     1       0.472  -4.919   1.791  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.585  -3.477   1.903  1.00  0.00           H  
HETATM   63  H   UNL     1       0.719  -3.838   4.566  1.00  0.00           H  
HETATM   64  H   UNL     1       2.484  -2.633   5.804  1.00  0.00           H  
HETATM   65  H   UNL     1       4.137  -1.317   4.557  1.00  0.00           H  
HETATM   66  H   UNL     1       5.243  -0.894   2.663  1.00  0.00           H  
HETATM   67  H   UNL     1       4.000   0.072   1.866  1.00  0.00           H  
HETATM   68  H   UNL     1       4.997  -2.510   0.712  1.00  0.00           H  
HETATM   69  H   UNL     1       5.821  -0.969   0.436  1.00  0.00           H  
HETATM   70  H   UNL     1       4.438  -1.209  -1.411  1.00  0.00           H  
HETATM   71  H   UNL     1       2.621   0.446   0.171  1.00  0.00           H  
HETATM   72  H   UNL     1       3.610   2.946   0.351  1.00  0.00           H  
HETATM   73  H   UNL     1       4.412   3.906  -2.281  1.00  0.00           H  
HETATM   74  H   UNL     1       7.462   4.194  -1.961  1.00  0.00           H  
HETATM   75  H   UNL     1       6.230   5.450  -2.231  1.00  0.00           H  
HETATM   76  H   UNL     1       7.242   5.496  -0.768  1.00  0.00           H  
HETATM   77  H   UNL     1       2.349   2.684  -2.414  1.00  0.00           H  
HETATM   78  H   UNL     1       1.608   2.082  -0.912  1.00  0.00           H  
HETATM   79  H   UNL     1       0.223   5.481  -1.424  1.00  0.00           H  
CONECT    1    2    2    6   46                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4   48                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    6    6   50                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   51   52                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   13   14   55                                       
CONECT   12   10   10                                                 
CONECT   13   11   18   56                                            
CONECT   14   11   15   57   58                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   59                                                 
CONECT   18   13   19   19   22                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   24   28                                       
CONECT   21   20   22   32                                            
CONECT   22   18   21   23   60                                       
CONECT   23   22   24   61   62                                       
CONECT   24   20   20   23   25                                       
CONECT   25   24   26   26   63                                       
CONECT   26   25   25   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   20   27   27   29                                       
CONECT   29   28   30   66   67                                       
CONECT   30   29   31   68   69                                       
CONECT   31   30   32   34   70                                       
CONECT   32   21   31   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   71                                            
CONECT   35   34   36   37   37                                       
CONECT   36   35   38   42   72                                       
CONECT   37   35   35                                                 
CONECT   38   36   39   73                                            
CONECT   39   38   40   41   41                                       
CONECT   40   39   74   75   76                                       
CONECT   41   39   39                                                 
CONECT   42   36   43   77   78                                       
CONECT   43   42   44   45   45                                       
CONECT   44   43   79                                                 
CONECT   45   43   43                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
