COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.253   1.056   1.659  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.369   0.351   1.110  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.026   0.498   1.487  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.898  -0.700   0.799  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.649  -1.265   0.625  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.528  -0.637   1.137  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.653   0.556   1.823  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.899   1.128   1.994  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.937  -1.360   0.914  1.00  0.00           S  
HETATM   10  O   UNL     1      -3.114  -0.850   1.954  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.153  -2.749   0.705  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.322  -0.765  -0.504  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.577  -1.466  -1.765  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.823  -0.879  -2.431  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.575   0.593  -2.770  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.127  -1.653  -3.715  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.523   0.463  -0.497  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.038   0.105  -0.410  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.646  -0.594  -1.594  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.211   1.385  -0.278  1.00  0.00           C  
HETATM   21  N   UNL     1       1.198   1.038  -0.075  1.00  0.00           N  
HETATM   22  C   UNL     1       1.985   1.829   0.680  1.00  0.00           C  
HETATM   23  O   UNL     1       1.508   2.786   1.259  1.00  0.00           O  
HETATM   24  C   UNL     1       3.428   1.534   0.805  1.00  0.00           C  
HETATM   25  C   UNL     1       4.228   2.283   1.670  1.00  0.00           C  
HETATM   26  C   UNL     1       5.570   1.997   1.774  1.00  0.00           C  
HETATM   27  C   UNL     1       6.139   0.970   1.029  1.00  0.00           C  
HETATM   28  C   UNL     1       5.354   0.224   0.176  1.00  0.00           C  
HETATM   29  C   UNL     1       4.000   0.501   0.065  1.00  0.00           C  
HETATM   30  O   UNL     1       7.957   0.815   2.579  1.00  0.00           O  
HETATM   31  C   UNL     1       7.616   0.723   1.194  1.00  0.00           C  
HETATM   32  C   UNL     1       7.990  -0.664   0.674  1.00  0.00           C  
HETATM   33  C   UNL     1       7.425  -0.817  -0.743  1.00  0.00           C  
HETATM   34  C   UNL     1       5.904  -0.911  -0.648  1.00  0.00           C  
HETATM   35  N   UNL     1       5.537  -2.184  -0.023  1.00  0.00           N  
HETATM   36  C   UNL     1       4.373  -2.783  -0.346  1.00  0.00           C  
HETATM   37  O   UNL     1       3.672  -2.314  -1.220  1.00  0.00           O  
HETATM   38  O   UNL     1       3.989  -3.900   0.300  1.00  0.00           O  
HETATM   39  C   UNL     1       2.783  -4.554  -0.176  1.00  0.00           C  
HETATM   40  C   UNL     1       2.942  -4.902  -1.657  1.00  0.00           C  
HETATM   41  C   UNL     1       2.548  -5.836   0.626  1.00  0.00           C  
HETATM   42  C   UNL     1       1.589  -3.615   0.002  1.00  0.00           C  
HETATM   43  C   UNL     1      -0.352   2.218  -1.553  1.00  0.00           C  
HETATM   44  C   UNL     1       1.750   3.567  -1.712  1.00  0.00           C  
HETATM   45  C   UNL     1       2.444   4.754  -1.572  1.00  0.00           C  
HETATM   46  C   UNL     1       1.794   5.886  -1.116  1.00  0.00           C  
HETATM   47  C   UNL     1       0.449   5.830  -0.800  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.245   4.642  -0.940  1.00  0.00           C  
HETATM   49  C   UNL     1       0.406   3.511  -1.395  1.00  0.00           C  
HETATM   50  H   UNL     1     -11.285   0.904   1.318  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.241   0.251   0.032  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.431  -0.639   1.562  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.773  -1.191   0.400  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.548  -2.197   0.090  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.776   1.044   2.222  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.996   2.063   2.527  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.720  -1.345  -2.427  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.736  -2.525  -1.566  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.670  -0.957  -1.750  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.653   0.683  -3.343  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.408   0.975  -3.359  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.488   1.168  -1.848  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.303  -2.701  -3.474  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.015  -1.235  -4.190  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.279  -1.574  -4.396  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.708   1.023  -1.414  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.800   1.072   0.363  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.867  -0.530   0.460  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.771  -0.089  -2.408  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.569   1.962   0.575  1.00  0.00           H  
HETATM   71  H   UNL     1       1.564   0.238  -0.484  1.00  0.00           H  
HETATM   72  H   UNL     1       3.795   3.082   2.254  1.00  0.00           H  
HETATM   73  H   UNL     1       6.189   2.577   2.443  1.00  0.00           H  
HETATM   74  H   UNL     1       3.386  -0.081  -0.606  1.00  0.00           H  
HETATM   75  H   UNL     1       7.764   1.676   2.975  1.00  0.00           H  
HETATM   76  H   UNL     1       8.171   1.477   0.636  1.00  0.00           H  
HETATM   77  H   UNL     1       9.075  -0.766   0.651  1.00  0.00           H  
HETATM   78  H   UNL     1       7.563  -1.427   1.325  1.00  0.00           H  
HETATM   79  H   UNL     1       7.703   0.048  -1.344  1.00  0.00           H  
HETATM   80  H   UNL     1       7.822  -1.724  -1.200  1.00  0.00           H  
HETATM   81  H   UNL     1       5.478  -0.867  -1.650  1.00  0.00           H  
HETATM   82  H   UNL     1       6.131  -2.596   0.624  1.00  0.00           H  
HETATM   83  H   UNL     1       3.793  -5.571  -1.784  1.00  0.00           H  
HETATM   84  H   UNL     1       2.037  -5.393  -2.014  1.00  0.00           H  
HETATM   85  H   UNL     1       3.110  -3.989  -2.229  1.00  0.00           H  
HETATM   86  H   UNL     1       2.435  -5.588   1.682  1.00  0.00           H  
HETATM   87  H   UNL     1       1.643  -6.327   0.269  1.00  0.00           H  
HETATM   88  H   UNL     1       3.399  -6.505   0.500  1.00  0.00           H  
HETATM   89  H   UNL     1       1.711  -2.745  -0.643  1.00  0.00           H  
HETATM   90  H   UNL     1       0.671  -4.139  -0.265  1.00  0.00           H  
HETATM   91  H   UNL     1       1.533  -3.291   1.041  1.00  0.00           H  
HETATM   92  H   UNL     1       0.052   1.661  -2.398  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.406   2.434  -1.731  1.00  0.00           H  
HETATM   94  H   UNL     1       2.257   2.684  -2.072  1.00  0.00           H  
HETATM   95  H   UNL     1       3.495   4.798  -1.819  1.00  0.00           H  
HETATM   96  H   UNL     1       2.336   6.813  -1.007  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.059   6.714  -0.443  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.295   4.599  -0.693  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    1   50   51   52                                       
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   53                                       
CONECT    5    4    6    6   54                                       
CONECT    6    5    5    7    9                                       
CONECT    7    8    8    6   55                                       
CONECT    8    3    7    7   56                                       
CONECT    9   10   10    6   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   13                                            
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   16   59                                       
CONECT   15   14   60   61   62                                       
CONECT   16   14   63   64   65                                       
CONECT   17   12   18   66   67                                       
CONECT   18   20   17   19   68                                       
CONECT   19   18   69                                                 
CONECT   20   43   21   18   70                                       
CONECT   21   20   22   71                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   29   22   25   25                                       
CONECT   25   24   24   26   72                                       
CONECT   26   27   27   25   73                                       
CONECT   27   28   31   26   26                                       
CONECT   28   34   29   29   27                                       
CONECT   29   28   28   24   74                                       
CONECT   30   31   75                                                 
CONECT   31   32   27   30   76                                       
CONECT   32   33   31   77   78                                       
CONECT   33   34   32   79   80                                       
CONECT   34   35   33   28   81                                       
CONECT   35   36   34   82                                            
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   39   36                                                 
CONECT   39   40   42   41   38                                       
CONECT   40   39   83   84   85                                       
CONECT   41   39   86   87   88                                       
CONECT   42   39   89   90   91                                       
CONECT   43   49   20   92   93                                       
CONECT   44   45   45   49   94                                       
CONECT   45   46   44   44   95                                       
CONECT   46   47   47   45   96                                       
CONECT   47   46   46   48   97                                       
CONECT   48   47   49   49   98                                       
CONECT   49   48   48   44   43                                       
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
