COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.749   1.268  -4.629  1.00  0.00           C  
HETATM    2  C   UNL     1       1.729   1.329  -3.455  1.00  0.00           C  
HETATM    3  C   UNL     1       1.056   1.977  -2.273  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.105   2.610  -2.436  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.756   3.233  -1.277  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.912   3.874  -1.369  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.518   4.484  -0.126  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.988   3.365   0.805  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.326   3.755   1.437  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.390   2.776   0.999  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.168   1.469   1.123  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.129   0.472   0.664  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.098  -0.806   1.070  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.339  -1.311   2.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.854  -2.555   2.183  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.095  -3.435   0.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.087  -4.586   0.984  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.318  -4.580  -0.312  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.079  -5.004  -0.341  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.311  -4.997  -1.637  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.185  -4.001  -1.558  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.131  -2.984  -2.416  1.00  0.00           C  
HETATM   23  C   UNL     1       0.974  -2.018  -2.337  1.00  0.00           C  
HETATM   24  C   UNL     1       2.165  -0.089  -3.080  1.00  0.00           C  
HETATM   25  C   UNL     1       2.658  -0.102  -1.657  1.00  0.00           C  
HETATM   26  C   UNL     1       1.833  -0.136  -0.606  1.00  0.00           C  
HETATM   27  C   UNL     1       4.240  -0.101  -0.091  1.00  0.00           C  
HETATM   28  C   UNL     1       5.643  -0.088   0.460  1.00  0.00           C  
HETATM   29  C   UNL     1       6.002  -1.484   0.973  1.00  0.00           C  
HETATM   30  C   UNL     1       7.466  -1.503   1.417  1.00  0.00           C  
HETATM   31  C   UNL     1       7.791  -2.859   2.045  1.00  0.00           C  
HETATM   32  C   UNL     1       8.370  -1.272   0.204  1.00  0.00           C  
HETATM   33  C   UNL     1       6.913   1.467   1.750  1.00  0.00           C  
HETATM   34  C   UNL     1       8.350   3.018   2.961  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.198  -2.826  -3.468  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.426  -5.501   0.924  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.515  -4.002   1.045  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.127  -0.478   3.445  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.207   0.876  -0.323  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.949   3.148   1.906  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.289   6.665  -0.756  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.635   4.006  -2.683  1.00  0.00           C  
HETATM   43  N   UNL     1       3.939  -0.087  -1.346  1.00  0.00           N  
HETATM   44  N   UNL     1       7.057   2.363   2.746  1.00  0.00           N  
HETATM   45  O   UNL     1       1.831  -2.144  -1.485  1.00  0.00           O  
HETATM   46  O   UNL     1       1.038  -0.992  -3.210  1.00  0.00           O  
HETATM   47  O   UNL     1       5.725   0.865   1.552  1.00  0.00           O  
HETATM   48  O   UNL     1       7.855   1.203   1.029  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.179  -4.425   2.077  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.207   3.725   2.861  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.631   5.303  -0.491  1.00  0.00           O  
HETATM   52  S   UNL     1       2.817  -0.140   0.856  1.00  0.00           S  
HETATM   53  H   UNL     1      -0.125   0.682  -4.342  1.00  0.00           H  
HETATM   54  H   UNL     1       0.438   2.277  -4.896  1.00  0.00           H  
HETATM   55  H   UNL     1       1.235   0.799  -5.484  1.00  0.00           H  
HETATM   56  H   UNL     1       2.602   1.914  -3.742  1.00  0.00           H  
HETATM   57  H   UNL     1       1.512   1.931  -1.296  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.543   2.647  -3.420  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.272   3.167  -0.306  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.770   5.092   0.383  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.111   2.445   0.235  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.601   4.759   1.116  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.317   3.156   0.600  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.221   1.148   1.547  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.757  -1.511   0.552  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.290  -2.928   3.025  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.977  -2.849   0.074  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.616  -5.533   1.089  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.790  -4.227  -1.217  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.902  -5.991  -1.821  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.980  -4.725  -2.453  1.00  0.00           H  
HETATM   72  H   UNL     1       0.585  -4.109  -0.806  1.00  0.00           H  
HETATM   73  H   UNL     1       2.966  -0.410  -3.746  1.00  0.00           H  
HETATM   74  H   UNL     1       0.754  -0.157  -0.646  1.00  0.00           H  
HETATM   75  H   UNL     1       6.339   0.200  -0.327  1.00  0.00           H  
HETATM   76  H   UNL     1       5.362  -1.736   1.819  1.00  0.00           H  
HETATM   77  H   UNL     1       5.855  -2.213   0.176  1.00  0.00           H  
HETATM   78  H   UNL     1       7.633  -0.714   2.150  1.00  0.00           H  
HETATM   79  H   UNL     1       7.624  -3.649   1.312  1.00  0.00           H  
HETATM   80  H   UNL     1       8.834  -2.873   2.361  1.00  0.00           H  
HETATM   81  H   UNL     1       7.147  -3.024   2.909  1.00  0.00           H  
HETATM   82  H   UNL     1       8.203  -2.061  -0.529  1.00  0.00           H  
HETATM   83  H   UNL     1       8.138  -0.306  -0.243  1.00  0.00           H  
HETATM   84  H   UNL     1       9.413  -1.286   0.521  1.00  0.00           H  
HETATM   85  H   UNL     1       8.629   3.573   2.066  1.00  0.00           H  
HETATM   86  H   UNL     1       8.274   3.703   3.805  1.00  0.00           H  
HETATM   87  H   UNL     1       9.108   2.264   3.173  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.155  -2.623  -2.987  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.939  -1.997  -4.126  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.271  -3.744  -4.051  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.165  -6.020   1.534  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.618  -6.186   0.670  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.024  -4.655   1.482  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.233  -3.182   1.045  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.690  -4.638   0.178  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.634  -4.588   1.956  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.616   0.488   3.322  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.552  -0.993   4.306  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.059  -0.326   3.603  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.099   1.933  -0.565  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.107   0.282  -1.232  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.188   0.702   0.119  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.826   4.069   2.477  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.283   2.351   2.570  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.996   2.870   1.456  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.842   7.107   0.134  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.576   6.706  -1.580  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.188   7.219  -1.026  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.061   3.511  -3.466  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.618   3.542  -2.605  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.750   5.062  -2.930  1.00  0.00           H  
HETATM  112  H   UNL     1       6.305   2.573   3.321  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.619  -3.639   2.010  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.020   3.962   3.328  1.00  0.00           H  
CONECT    1    2   53   54   55                                       
CONECT    2    3   24    1   56                                       
CONECT    3    4    4    2   57                                       
CONECT    4    5    3    3   58                                       
CONECT    5    6    6    4   59                                       
CONECT    6    7    5    5   42                                       
CONECT    7    8   51    6   60                                       
CONECT    8    9    7   40   61                                       
CONECT    9   10   50    8   62                                       
CONECT   10   11   11    9   63                                       
CONECT   11   12   10   10   64                                       
CONECT   12   13   13   39   11                                       
CONECT   13   14   12   12   65                                       
CONECT   14   38   13   15   15                                       
CONECT   15   14   14   16   66                                       
CONECT   16   15   37   17   67                                       
CONECT   17   16   49   18   68                                       
CONECT   18   17   19   19   69                                       
CONECT   19   18   18   36   20                                       
CONECT   20   19   21   70   71                                       
CONECT   21   20   22   22   72                                       
CONECT   22   21   21   35   23                                       
CONECT   23   22   46   45   45                                       
CONECT   24   46   25    2   73                                       
CONECT   25   26   26   24   43                                       
CONECT   26   52   25   25   74                                       
CONECT   27   52   28   43   43                                       
CONECT   28   47   27   29   75                                       
CONECT   29   28   30   76   77                                       
CONECT   30   29   31   32   78                                       
CONECT   31   30   79   80   81                                       
CONECT   32   30   82   83   84                                       
CONECT   33   44   47   48   48                                       
CONECT   34   44   85   86   87                                       
CONECT   35   22   88   89   90                                       
CONECT   36   19   91   92   93                                       
CONECT   37   16   94   95   96                                       
CONECT   38   14   97   98   99                                       
CONECT   39   12  100  101  102                                       
CONECT   40    8  103  104  105                                       
CONECT   41   51  106  107  108                                       
CONECT   42    6  109  110  111                                       
CONECT   43   25   27   27                                            
CONECT   44   34   33  112                                            
CONECT   45   23   23                                                 
CONECT   46   23   24                                                 
CONECT   47   33   28                                                 
CONECT   48   33   33                                                 
CONECT   49   17  113                                                 
CONECT   50    9  114                                                 
CONECT   51   41    7                                                 
CONECT   52   26   27                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   44                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
