COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.807  -3.308  -0.695  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.677  -1.583   0.584  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.755  -2.560  -0.804  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.737  -3.024   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.065  -3.761   1.627  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.275  -6.840  -3.383  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.059   8.511  -0.794  1.00  0.00           C  
HETATM    8  C   UNL     1       5.270   0.871  -5.089  1.00  0.00           C  
HETATM    9  C   UNL     1       0.624   3.093  -0.644  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.069   1.149  -2.053  1.00  0.00           C  
HETATM   11  C   UNL     1       1.372   2.944  -3.024  1.00  0.00           C  
HETATM   12  O   UNL     1       4.237   2.145  -3.040  1.00  0.00           O  
HETATM   13  S   UNL     1       8.534  -1.125   0.118  1.00  0.00           S  
HETATM   14  O   UNL     1       1.860  -0.717  -0.325  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.559  -1.718   1.231  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.722   0.895   1.846  1.00  0.00           O  
HETATM   17  C   UNL     1      -6.373  -5.897  -3.274  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.198   7.632  -0.343  1.00  0.00           C  
HETATM   19  C   UNL     1       4.637   0.410   1.972  1.00  0.00           C  
HETATM   20  C   UNL     1       3.699  -0.428   2.547  1.00  0.00           C  
HETATM   21  C   UNL     1       5.792  -0.112   1.429  1.00  0.00           C  
HETATM   22  C   UNL     1       2.438   0.149   3.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.513   4.731   0.212  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.230   4.722   0.932  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.445   3.370  -0.019  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.165   3.359   0.712  1.00  0.00           C  
HETATM   27  C   UNL     1       7.250  -2.056   0.881  1.00  0.00           C  
HETATM   28  C   UNL     1       7.569  -3.365   0.855  1.00  0.00           C  
HETATM   29  C   UNL     1       6.014  -1.489   1.461  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.701  -4.621  -2.543  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.002   0.427   1.655  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.479   6.891   0.939  1.00  0.00           C  
HETATM   33  C   UNL     1       0.116   0.653   2.674  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.352   0.750   2.298  1.00  0.00           C  
HETATM   35  C   UNL     1       9.450  -2.592  -0.200  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.202   1.197  -0.009  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.714  -4.396  -1.485  1.00  0.00           N  
HETATM   38  N   UNL     1       2.802   0.563  -2.434  1.00  0.00           N  
HETATM   39  N   UNL     1       1.776   1.008   1.068  1.00  0.00           N  
HETATM   40  O   UNL     1       4.225   0.293  -4.263  1.00  0.00           O  
HETATM   41  C   UNL     1       3.772   1.040  -3.239  1.00  0.00           C  
HETATM   42  C   UNL     1       1.966   0.480  -0.157  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.537  -1.026   1.037  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.405   5.407   0.687  1.00  0.00           C  
HETATM   45  C   UNL     1       8.780  -3.652   0.260  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.272   2.684   0.231  1.00  0.00           C  
HETATM   47  C   UNL     1       3.912  -1.795   2.582  1.00  0.00           C  
HETATM   48  C   UNL     1       5.064  -2.330   2.043  1.00  0.00           C  
HETATM   49  C   UNL     1       2.309   1.376  -1.319  1.00  0.00           C  
HETATM   50  N   UNL     1       1.395   0.206   2.106  1.00  0.00           N  
HETATM   51  C   UNL     1       1.059   2.141  -1.760  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.475   0.456   1.302  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.047  -5.271   1.376  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.023  -3.408   2.690  1.00  0.00           C  
HETATM   55  H   UNL     1      -5.459  -1.030   0.429  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.774  -3.366  -0.051  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.054  -3.463   1.974  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.255  -6.704  -2.949  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.040  -7.755  -3.907  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.858   9.042  -1.712  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.970   8.704  -0.247  1.00  0.00           H  
HETATM   62  H   UNL     1       5.543   0.167  -5.875  1.00  0.00           H  
HETATM   63  H   UNL     1       4.909   1.796  -5.538  1.00  0.00           H  
HETATM   64  H   UNL     1       6.144   1.083  -4.472  1.00  0.00           H  
HETATM   65  H   UNL     1       0.452   2.526   0.271  1.00  0.00           H  
HETATM   66  H   UNL     1       1.407   3.832  -0.472  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.296   3.599  -0.937  1.00  0.00           H  
HETATM   68  H   UNL     1       0.240   0.471  -2.847  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.292   0.577  -1.152  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.960   1.694  -2.366  1.00  0.00           H  
HETATM   71  H   UNL     1       0.481   3.489  -3.337  1.00  0.00           H  
HETATM   72  H   UNL     1       2.175   3.651  -2.815  1.00  0.00           H  
HETATM   73  H   UNL     1       1.681   2.266  -3.819  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.960   0.466   2.679  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.394  -6.034  -3.709  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.287   7.439  -0.890  1.00  0.00           H  
HETATM   77  H   UNL     1       4.462   1.476   1.944  1.00  0.00           H  
HETATM   78  H   UNL     1       6.524   0.544   0.980  1.00  0.00           H  
HETATM   79  H   UNL     1       2.101  -0.481   3.961  1.00  0.00           H  
HETATM   80  H   UNL     1       2.638   1.155   3.509  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.430   5.267   0.016  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.364   5.251   1.303  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.309   2.842  -0.395  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.247   2.824   0.904  1.00  0.00           H  
HETATM   85  H   UNL     1       6.928  -4.129   1.269  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.681  -3.785  -3.243  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.695  -4.701  -2.102  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.845   1.076   0.793  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.993  -0.614   1.332  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.739   7.170   1.689  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.475   7.150   1.297  1.00  0.00           H  
HETATM   92  H   UNL     1       0.177   1.714   2.917  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.097   0.086   3.580  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.486   0.136   3.189  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.379   1.804   2.576  1.00  0.00           H  
HETATM   96  H   UNL     1      10.411  -2.630  -0.693  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.949   0.913  -0.750  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.209   0.935  -0.374  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.992  -5.031  -1.352  1.00  0.00           H  
HETATM  100  H   UNL     1       2.430  -0.319  -2.593  1.00  0.00           H  
HETATM  101  H   UNL     1       1.911   1.958   1.213  1.00  0.00           H  
HETATM  102  H   UNL     1       9.158  -4.660   0.172  1.00  0.00           H  
HETATM  103  H   UNL     1       3.176  -2.444   3.033  1.00  0.00           H  
HETATM  104  H   UNL     1       5.229  -3.397   2.070  1.00  0.00           H  
HETATM  105  H   UNL     1       3.080   2.084  -1.017  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.091  -5.554   0.935  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.182  -5.798   2.320  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.854  -5.535   0.693  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.036  -2.333   2.869  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.257  -3.934   3.616  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.034  -3.707   2.343  1.00  0.00           H  
CONECT    1    3    3   37    4                                       
CONECT    2   43    4   55                                            
CONECT    3    1    1                                                 
CONECT    4    2    1    5   56                                       
CONECT    5    4   53   54   57                                       
CONECT    6   17   17   58   59                                       
CONECT    7   18   18   60   61                                       
CONECT    8   40   62   63   64                                       
CONECT    9   51   65   66   67                                       
CONECT   10   51   68   69   70                                       
CONECT   11   51   71   72   73                                       
CONECT   12   41   41                                                 
CONECT   13   27   35                                                 
CONECT   14   42   42                                                 
CONECT   15   43   43                                                 
CONECT   16   52   74                                                 
CONECT   17   30    6    6   75                                       
CONECT   18    7    7   32   76                                       
CONECT   19   20   20   21   77                                       
CONECT   20   22   19   19   47                                       
CONECT   21   19   29   29   78                                       
CONECT   22   50   20   79   80                                       
CONECT   23   44   25   25   81                                       
CONECT   24   44   44   26   82                                       
CONECT   25   23   23   46   83                                       
CONECT   26   24   46   46   84                                       
CONECT   27   29   13   28   28                                       
CONECT   28   27   27   45   85                                       
CONECT   29   21   21   48   27                                       
CONECT   30   37   17   86   87                                       
CONECT   31   34   33   88   89                                       
CONECT   32   18   44   90   91                                       
CONECT   33   31   50   92   93                                       
CONECT   34   52   31   94   95                                       
CONECT   35   13   45   45   96                                       
CONECT   36   46   52   97   98                                       
CONECT   37   30    1   99                                            
CONECT   38   49   41  100                                            
CONECT   39   42   50  101                                            
CONECT   40   41    8                                                 
CONECT   41   12   12   38   40                                       
CONECT   42   49   14   14   39                                       
CONECT   43   52    2   15   15                                       
CONECT   44   24   24   32   23                                       
CONECT   45   28   35   35  102                                       
CONECT   46   26   26   25   36                                       
CONECT   47   20   48   48  103                                       
CONECT   48   47   47   29  104                                       
CONECT   49   51   38   42  105                                       
CONECT   50   39   33   22                                            
CONECT   51   10   11    9   49                                       
CONECT   52   36   16   34   43                                       
CONECT   53    5  106  107  108                                       
CONECT   54    5  109  110  111                                       
CONECT   55    2                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   28                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   53                                                      
CONECT  107   53                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
