COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.996   1.013   0.347  1.00  0.00           C  
HETATM    2  C   UNL     1       4.794   0.974   1.295  1.00  0.00           C  
HETATM    3  C   UNL     1       5.916  -1.082   0.788  1.00  0.00           C  
HETATM    4  C   UNL     1       7.008  -0.374   0.322  1.00  0.00           C  
HETATM    5  O   UNL     1       2.720  -0.452   2.744  1.00  0.00           O  
HETATM    6  N   UNL     1       2.408  -1.549   0.555  1.00  0.00           N  
HETATM    7  C   UNL     1       1.461  -0.502   0.162  1.00  0.00           C  
HETATM    8  C   UNL     1       0.100  -0.780   0.804  1.00  0.00           C  
HETATM    9  O   UNL     1       0.212  -0.674   2.224  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.172  -0.643   0.001  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.633  -2.416   0.402  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.493  -1.435   1.441  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.026  -0.946   1.340  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.812  -0.964  -0.195  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.525   1.639   0.774  1.00  0.00           C  
HETATM   16  O   UNL     1       8.068   1.711  -0.111  1.00  0.00           O  
HETATM   17  C   UNL     1       7.986   3.136  -0.054  1.00  0.00           C  
HETATM   18  C   UNL     1       5.885   1.686   0.836  1.00  0.00           C  
HETATM   19  C   UNL     1       4.809  -0.408   1.269  1.00  0.00           C  
HETATM   20  S   UNL     1       3.413  -1.313   1.850  1.00  0.00           S  
HETATM   21  O   UNL     1       3.894  -2.597   2.223  1.00  0.00           O  
HETATM   22  C   UNL     1       2.466  -2.804  -0.198  1.00  0.00           C  
HETATM   23  C   UNL     1       2.707  -2.078  -2.582  1.00  0.00           C  
HETATM   24  C   UNL     1       3.463  -1.895  -3.724  1.00  0.00           C  
HETATM   25  C   UNL     1       4.800  -2.244  -3.732  1.00  0.00           C  
HETATM   26  C   UNL     1       5.382  -2.776  -2.596  1.00  0.00           C  
HETATM   27  C   UNL     1       4.626  -2.959  -1.454  1.00  0.00           C  
HETATM   28  C   UNL     1       3.290  -2.605  -1.444  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.921   0.241   0.296  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.248  -0.096   0.816  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.873  -0.951  -1.136  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.426  -0.849   0.447  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.368  -1.442  -0.485  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.494  -2.967  -0.251  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.801  -3.310  -0.737  1.00  0.00           O  
HETATM   36  C   UNL     1      -7.673  -2.179  -0.635  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.413   2.682   0.093  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.166   4.054   0.724  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.054   5.096   0.042  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.524   4.710   0.222  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.772   3.338  -0.408  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.438   3.395  -1.901  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.969   3.782  -2.081  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.080   2.739  -1.399  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.883   2.296   0.273  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.721   5.153  -1.450  1.00  0.00           C  
HETATM   47  H   UNL     1       3.928   1.498   1.671  1.00  0.00           H  
HETATM   48  H   UNL     1       5.925  -2.161   0.769  1.00  0.00           H  
HETATM   49  H   UNL     1       7.869  -0.901  -0.062  1.00  0.00           H  
HETATM   50  H   UNL     1       1.830   0.467   0.498  1.00  0.00           H  
HETATM   51  H   UNL     1       1.357  -0.495  -0.923  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.229  -1.785   0.539  1.00  0.00           H  
HETATM   53  H   UNL     1       0.501   0.196   2.533  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.180  -0.605   1.273  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.677  -1.887   2.415  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.920   0.062   1.740  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.347  -1.637   1.839  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.067  -0.023  -0.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.653   1.703   1.855  1.00  0.00           H  
HETATM   60  H   UNL     1       0.518   1.829   0.520  1.00  0.00           H  
HETATM   61  H   UNL     1       7.852   3.452   0.980  1.00  0.00           H  
HETATM   62  H   UNL     1       8.906   3.569  -0.449  1.00  0.00           H  
HETATM   63  H   UNL     1       7.140   3.476  -0.651  1.00  0.00           H  
HETATM   64  H   UNL     1       5.874   2.766   0.857  1.00  0.00           H  
HETATM   65  H   UNL     1       2.923  -3.578   0.419  1.00  0.00           H  
HETATM   66  H   UNL     1       1.457  -3.109  -0.475  1.00  0.00           H  
HETATM   67  H   UNL     1       1.662  -1.805  -2.576  1.00  0.00           H  
HETATM   68  H   UNL     1       3.008  -1.479  -4.612  1.00  0.00           H  
HETATM   69  H   UNL     1       5.390  -2.101  -4.625  1.00  0.00           H  
HETATM   70  H   UNL     1       6.427  -3.049  -2.602  1.00  0.00           H  
HETATM   71  H   UNL     1       5.081  -3.375  -0.567  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.942   0.222  -0.794  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.463   0.075   1.746  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.084  -1.227  -1.515  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.729  -3.502  -0.813  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.411  -3.195   0.812  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.171  -1.976  -1.583  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.403   4.013   1.787  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.119   4.329   0.595  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.878   6.074   0.492  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.761   4.669   1.285  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.157   5.453  -0.263  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.818   3.063  -0.280  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.615   2.418  -2.350  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.071   4.138  -2.386  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.732   3.822  -3.144  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.034   3.014  -1.528  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.257   1.762  -1.849  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.060   1.319  -0.176  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.120   2.255   1.336  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.354   5.896  -1.935  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.674   5.429  -1.578  1.00  0.00           H  
CONECT    1   18   16    4    4                                       
CONECT    2   18   18   19   47                                       
CONECT    3    4   19   19   48                                       
CONECT    4    1    1    3   49                                       
CONECT    5   20   20                                                 
CONECT    6   20    7   22                                            
CONECT    7    6    8   50   51                                       
CONECT    8   29    7    9   52                                       
CONECT    9    8   53                                                 
CONECT   10   30   31   31   32                                       
CONECT   11   12   36                                                 
CONECT   12   13   11   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   33   36   58                                       
CONECT   15   37   29   59   60                                       
CONECT   16    1   17                                                 
CONECT   17   16   61   62   63                                       
CONECT   18    2    2    1   64                                       
CONECT   19    2    3    3   20                                       
CONECT   20   21   21   19    5                                       
CONECT   20    5    6                                                 
CONECT   21   20   20                                                 
CONECT   22    6   28   65   66                                       
CONECT   23   28   24   24   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   26   26   24   69                                       
CONECT   26   27   25   25   70                                       
CONECT   27   28   28   26   71                                       
CONECT   28   22   27   27   23                                       
CONECT   29   15   30    8   72                                       
CONECT   30   29   10   73                                            
CONECT   31   10   10                                                 
CONECT   32   10   33                                                 
CONECT   33   14   32   34   74                                       
CONECT   34   33   35   75   76                                       
CONECT   35   36   34                                                 
CONECT   36   14   11   35   77                                       
CONECT   37   44   45   38   15                                       
CONECT   38   39   37   78   79                                       
CONECT   39   46   40   38   80                                       
CONECT   40   41   39   81   82                                       
CONECT   41   42   40   45   83                                       
CONECT   42   43   41   84   85                                       
CONECT   43   42   46   44   86                                       
CONECT   44   43   37   87   88                                       
CONECT   45   41   37   89   90                                       
CONECT   46   43   39   91   92                                       
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   46                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
