COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.068  -0.742   1.391  1.00  0.00           C  
HETATM    2  C   UNL     1       0.619   0.279   2.463  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.399   0.971   0.420  1.00  0.00           C  
HETATM    4  C   UNL     1       0.229  -0.404   0.142  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.901   0.851   0.426  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.036   0.721  -0.741  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.694  -0.581  -0.364  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.806  -3.408  -1.473  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.738   2.015  -0.321  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.734   1.588  -1.791  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.453  -4.533  -2.448  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.652  -4.682  -1.510  1.00  0.00           C  
HETATM   13  C   UNL     1       3.182  -1.553   0.606  1.00  0.00           C  
HETATM   14  C   UNL     1       0.011   2.697   2.191  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.509   3.803   1.310  1.00  0.00           C  
HETATM   16  C   UNL     1       1.546   4.912   0.694  1.00  0.00           C  
HETATM   17  C   UNL     1       3.635   5.845  -0.001  1.00  0.00           C  
HETATM   18  C   UNL     1       3.572   5.382  -1.460  1.00  0.00           C  
HETATM   19  C   UNL     1       4.710   4.491  -1.964  1.00  0.00           C  
HETATM   20  C   UNL     1       3.946  -3.715   0.713  1.00  0.00           C  
HETATM   21  C   UNL     1       4.850  -3.441  -0.344  1.00  0.00           C  
HETATM   22  C   UNL     1       4.011  -1.313  -0.502  1.00  0.00           C  
HETATM   23  C   UNL     1       3.919  -4.999   1.280  1.00  0.00           C  
HETATM   24  C   UNL     1       4.799  -5.949   0.845  1.00  0.00           C  
HETATM   25  C   UNL     1       5.725  -5.663  -0.167  1.00  0.00           C  
HETATM   26  C   UNL     1       5.757  -4.435  -0.753  1.00  0.00           C  
HETATM   27  C   UNL     1       3.951   0.020  -1.199  1.00  0.00           C  
HETATM   28  C   UNL     1       5.192   0.845  -0.856  1.00  0.00           C  
HETATM   29  C   UNL     1       5.268   2.060  -1.784  1.00  0.00           C  
HETATM   30  C   UNL     1       4.904   3.321  -0.998  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.553   3.324  -0.142  1.00  0.00           C  
HETATM   32  C   UNL     1       5.721  -8.139   0.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.054   1.887   0.448  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.866  -1.453  -0.059  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.223  -2.824  -0.283  1.00  0.00           C  
HETATM   36  C   UNL     1       3.902   6.838  -1.133  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.770   2.419  -0.344  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.656   4.532  -1.075  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.422  -2.134  -2.056  1.00  0.00           C  
HETATM   40  C   UNL     1       0.723   2.541  -0.460  1.00  0.00           C  
HETATM   41  F   UNL     1      -5.833   1.184   1.638  1.00  0.00           F  
HETATM   42  F   UNL     1      -6.547   3.162   0.745  1.00  0.00           F  
HETATM   43  F   UNL     1       2.806   0.710  -0.785  1.00  0.00           F  
HETATM   44  F   UNL     1       3.897  -0.181  -2.582  1.00  0.00           F  
HETATM   45  N   UNL     1       0.066   1.434   1.732  1.00  0.00           N  
HETATM   46  N   UNL     1      -2.571   0.714  -0.735  1.00  0.00           N  
HETATM   47  N   UNL     1      -3.970  -1.717  -0.331  1.00  0.00           N  
HETATM   48  N   UNL     1       0.395   4.969   1.420  1.00  0.00           N  
HETATM   49  N   UNL     1       3.142  -2.745   1.165  1.00  0.00           N  
HETATM   50  N   UNL     1       4.830  -2.240  -0.936  1.00  0.00           N  
HETATM   51  O   UNL     1      -2.507   0.878   1.477  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.481  -2.939   1.133  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.659  -4.115  -0.056  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.876  -0.607  -0.091  1.00  0.00           O  
HETATM   55  O   UNL     1       2.450  -0.538   1.114  1.00  0.00           O  
HETATM   56  O   UNL     1       0.382   2.946   3.319  1.00  0.00           O  
HETATM   57  O   UNL     1       1.811   3.929   0.031  1.00  0.00           O  
HETATM   58  O   UNL     1       2.384   5.966   0.723  1.00  0.00           O  
HETATM   59  O   UNL     1       4.777  -7.189   1.401  1.00  0.00           O  
HETATM   60  S   UNL     1      -4.717  -3.167  -0.043  1.00  0.00           S  
HETATM   61  H   UNL     1       0.868  -1.750   1.728  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.147  -0.162   3.101  1.00  0.00           H  
HETATM   63  H   UNL     1       1.473   0.591   3.064  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.090   1.679  -0.349  1.00  0.00           H  
HETATM   65  H   UNL     1       0.869  -0.353  -0.739  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.110   2.860  -0.041  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.104   2.153  -2.477  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.670   1.216  -2.209  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.659  -4.365  -3.505  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.566  -5.128  -2.230  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.554  -5.376  -0.674  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.647  -4.613  -1.950  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.510   4.087   1.634  1.00  0.00           H  
HETATM   74  H   UNL     1       4.488   5.518   0.594  1.00  0.00           H  
HETATM   75  H   UNL     1       2.591   5.168  -1.880  1.00  0.00           H  
HETATM   76  H   UNL     1       4.461   4.109  -2.954  1.00  0.00           H  
HETATM   77  H   UNL     1       5.630   5.074  -2.020  1.00  0.00           H  
HETATM   78  H   UNL     1       3.206  -5.234   2.056  1.00  0.00           H  
HETATM   79  H   UNL     1       6.421  -6.424  -0.486  1.00  0.00           H  
HETATM   80  H   UNL     1       6.477  -4.224  -1.530  1.00  0.00           H  
HETATM   81  H   UNL     1       5.130   1.181   0.179  1.00  0.00           H  
HETATM   82  H   UNL     1       6.083   0.231  -0.987  1.00  0.00           H  
HETATM   83  H   UNL     1       6.280   2.155  -2.177  1.00  0.00           H  
HETATM   84  H   UNL     1       4.569   1.931  -2.610  1.00  0.00           H  
HETATM   85  H   UNL     1       5.707   3.557  -0.299  1.00  0.00           H  
HETATM   86  H   UNL     1       3.981   3.150  -0.445  1.00  0.00           H  
HETATM   87  H   UNL     1       6.732  -7.765   1.064  1.00  0.00           H  
HETATM   88  H   UNL     1       5.596  -9.085   1.432  1.00  0.00           H  
HETATM   89  H   UNL     1       5.555  -8.294  -0.162  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.781   1.349  -0.161  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.500  -1.490   0.827  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.469  -1.188  -0.927  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.003  -3.572  -0.426  1.00  0.00           H  
HETATM   94  H   UNL     1       0.411  -2.786  -1.169  1.00  0.00           H  
HETATM   95  H   UNL     1       0.380  -3.089   0.585  1.00  0.00           H  
HETATM   96  H   UNL     1       3.136   7.586  -1.338  1.00  0.00           H  
HETATM   97  H   UNL     1       4.931   7.167  -1.281  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.316   2.736  -1.232  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.439   1.388  -0.469  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.422   2.488   0.527  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.564   5.090  -0.848  1.00  0.00           H  
HETATM  102  H   UNL     1       0.211   5.177  -0.931  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.687   4.191  -2.109  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.334  -1.890  -1.512  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.712  -1.312  -1.963  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.657  -2.293  -3.108  1.00  0.00           H  
HETATM  107  H   UNL     1       0.521   1.826  -1.257  1.00  0.00           H  
HETATM  108  H   UNL     1       1.503   3.232  -0.780  1.00  0.00           H  
HETATM  109  H   UNL     1       1.053   2.008   0.431  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.084   0.611  -1.567  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.012  -1.686  -0.477  1.00  0.00           H  
HETATM  112  H   UNL     1       0.180   5.732   1.979  1.00  0.00           H  
CONECT    1    2    4   55   61                                       
CONECT    2    1   45   62   63                                       
CONECT    3    4   45    5   64                                       
CONECT    4   34    1    3   65                                       
CONECT    5   51   51    3   46                                       
CONECT    6    7   46    9   10                                       
CONECT    7   47   54   54    6                                       
CONECT    8   39   11   12   60                                       
CONECT    9   33    6   10   66                                       
CONECT   10    6    9   67   68                                       
CONECT   11    8   12   69   70                                       
CONECT   12   11    8   71   72                                       
CONECT   13   49   55   22   22                                       
CONECT   14   15   45   56   56                                       
CONECT   15   31   14   48   73                                       
CONECT   16   57   57   48   58                                       
CONECT   17   58   18   36   74                                       
CONECT   18   17   19   36   75                                       
CONECT   19   30   18   76   77                                       
CONECT   20   23   49   49   21                                       
CONECT   21   20   26   50   50                                       
CONECT   22   13   13   50   27                                       
CONECT   23   24   24   20   78                                       
CONECT   24   59   23   23   25                                       
CONECT   25   24   26   26   79                                       
CONECT   26   25   25   21   80                                       
CONECT   27   22   28   43   44                                       
CONECT   28   27   29   81   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   19   85   86                                       
CONECT   31   38   40   37   15                                       
CONECT   32   59   87   88   89                                       
CONECT   33   41    9   42   90                                       
CONECT   34   35    4   91   92                                       
CONECT   35   34   93   94   95                                       
CONECT   36   17   18   96   97                                       
CONECT   37   31   98   99  100                                       
CONECT   38   31  101  102  103                                       
CONECT   39    8  104  105  106                                       
CONECT   40   31  107  108  109                                       
CONECT   41   33                                                      
CONECT   42   33                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45    2    3   14                                            
CONECT   46    5    6  110                                            
CONECT   47   60    7  111                                            
CONECT   48   15   16  112                                            
CONECT   49   20   20   13                                            
CONECT   50   21   21   22                                            
CONECT   51    5    5                                                 
CONECT   52   60   60                                                 
CONECT   53   60   60                                                 
CONECT   54    7    7                                                 
CONECT   55    1   13                                                 
CONECT   56   14   14                                                 
CONECT   57   16   16                                                 
CONECT   58   16   17                                                 
CONECT   59   32   24                                                 
CONECT   60    8   52   52   47                                       
CONECT   60   53   53                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    3                                                      
CONECT   65    4                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   15                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
