COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.545  -1.053   0.163  1.00  0.00           C  
HETATM    2  C   UNL     1       9.036  -2.418   0.650  1.00  0.00           C  
HETATM    3  C   UNL     1      10.362  -1.246   2.411  1.00  0.00           C  
HETATM    4  C   UNL     1       7.901   1.164   0.890  1.00  0.00           C  
HETATM    5  C   UNL     1       6.430   0.949   0.527  1.00  0.00           C  
HETATM    6  C   UNL     1       1.825   2.721  -1.067  1.00  0.00           C  
HETATM    7  C   UNL     1       1.403   1.412  -0.939  1.00  0.00           C  
HETATM    8  C   UNL     1       2.295   0.431  -0.511  1.00  0.00           C  
HETATM    9  C   UNL     1       3.611   0.773  -0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       3.130   3.063  -0.772  1.00  0.00           C  
HETATM   11  C   UNL     1       4.028   2.090  -0.345  1.00  0.00           C  
HETATM   12  C   UNL     1       3.585   4.492  -0.920  1.00  0.00           C  
HETATM   13  C   UNL     1      10.429  -2.263   1.268  1.00  0.00           C  
HETATM   14  C   UNL     1       1.843  -0.976  -0.373  1.00  0.00           C  
HETATM   15  C   UNL     1       0.556  -2.754   0.032  1.00  0.00           C  
HETATM   16  C   UNL     1       0.572  -1.399   0.042  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.606  -0.544   0.442  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.623  -2.731   1.203  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.638  -3.595   0.408  1.00  0.00           C  
HETATM   20  C   UNL     1       9.832   0.085   1.872  1.00  0.00           C  
HETATM   21  C   UNL     1       2.183  -4.576  -0.517  1.00  0.00           C  
HETATM   22  C   UNL     1       1.877  -5.052  -1.938  1.00  0.00           C  
HETATM   23  C   UNL     1       2.312  -6.511  -2.092  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.966  -1.063   0.009  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.154  -1.985   0.111  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.366  -1.331  -0.556  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.538  -2.316  -0.564  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.765  -1.635  -1.177  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.016   0.537  -0.408  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.767  -0.078   0.228  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.362   0.157  -0.867  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.949   1.048   0.230  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.349   0.186   1.429  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.936   1.077   2.525  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.169   1.805   1.986  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.768   2.667   0.787  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.182   1.776  -0.310  1.00  0.00           C  
HETATM   38  F   UNL     1       4.032   4.970   0.316  1.00  0.00           F  
HETATM   39  F   UNL     1       4.629   4.555  -1.849  1.00  0.00           F  
HETATM   40  F   UNL     1       2.517   5.278  -1.365  1.00  0.00           F  
HETATM   41  N   UNL     1       8.498  -0.116   1.293  1.00  0.00           N  
HETATM   42  N   UNL     1       2.563  -2.052  -0.624  1.00  0.00           N  
HETATM   43  N   UNL     1       1.767  -3.179  -0.370  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.780  -1.432   0.531  1.00  0.00           N  
HETATM   45  N   UNL     1      -8.109  -0.444  -0.391  1.00  0.00           N  
HETATM   46  O   UNL     1      -3.078   0.012  -0.542  1.00  0.00           O  
HETATM   47  S   UNL     1       5.692   2.530   0.030  1.00  0.00           S  
HETATM   48  H   UNL     1       9.228  -0.671  -0.597  1.00  0.00           H  
HETATM   49  H   UNL     1       7.548  -1.157  -0.265  1.00  0.00           H  
HETATM   50  H   UNL     1       8.347  -2.806   1.400  1.00  0.00           H  
HETATM   51  H   UNL     1       9.086  -3.108  -0.192  1.00  0.00           H  
HETATM   52  H   UNL     1       9.693  -1.616   3.188  1.00  0.00           H  
HETATM   53  H   UNL     1      11.358  -1.100   2.827  1.00  0.00           H  
HETATM   54  H   UNL     1       8.434   1.559   0.026  1.00  0.00           H  
HETATM   55  H   UNL     1       7.971   1.873   1.715  1.00  0.00           H  
HETATM   56  H   UNL     1       6.360   0.240  -0.298  1.00  0.00           H  
HETATM   57  H   UNL     1       5.896   0.554   1.391  1.00  0.00           H  
HETATM   58  H   UNL     1       1.133   3.479  -1.402  1.00  0.00           H  
HETATM   59  H   UNL     1       0.381   1.150  -1.170  1.00  0.00           H  
HETATM   60  H   UNL     1       4.306   0.016   0.118  1.00  0.00           H  
HETATM   61  H   UNL     1      10.764  -3.225   1.655  1.00  0.00           H  
HETATM   62  H   UNL     1      11.127  -1.912   0.508  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.417  -0.082   1.411  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.778   0.226  -0.310  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.590  -3.232   1.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.239  -2.575   2.211  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.122  -3.963  -0.497  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.316  -4.438   1.020  1.00  0.00           H  
HETATM   69  H   UNL     1       9.770   0.807   2.686  1.00  0.00           H  
HETATM   70  H   UNL     1      10.509   0.461   1.105  1.00  0.00           H  
HETATM   71  H   UNL     1       1.640  -5.194   0.198  1.00  0.00           H  
HETATM   72  H   UNL     1       3.254  -4.658  -0.329  1.00  0.00           H  
HETATM   73  H   UNL     1       0.807  -4.970  -2.126  1.00  0.00           H  
HETATM   74  H   UNL     1       2.420  -4.434  -2.653  1.00  0.00           H  
HETATM   75  H   UNL     1       2.094  -6.851  -3.105  1.00  0.00           H  
HETATM   76  H   UNL     1       3.382  -6.594  -1.904  1.00  0.00           H  
HETATM   77  H   UNL     1       1.769  -7.129  -1.377  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.927  -2.926  -0.391  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.376  -2.177   1.160  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.114  -1.056  -1.580  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.274  -3.191  -1.157  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.764  -2.621   0.457  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.543  -1.342  -2.203  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.606  -2.329  -1.171  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.312   1.421   0.157  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.797   0.820  -1.437  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.980  -0.349   1.262  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.951   0.644   0.201  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.073  -0.632  -1.112  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.163   0.757  -1.755  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.203   1.780   0.542  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.095  -0.545   1.117  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.470  -0.332   1.813  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.221   0.463   3.379  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.190   1.809   2.837  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.915   1.074   1.674  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.587   2.440   2.767  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.647   3.185   0.403  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.023   3.398   1.099  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.897   2.390  -1.163  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.928   1.045  -0.621  1.00  0.00           H  
CONECT    1   41    2   48   49                                       
CONECT    2    1   13   50   51                                       
CONECT    3   20   13   52   53                                       
CONECT    4    5   41   54   55                                       
CONECT    5   47    4   56   57                                       
CONECT    6    7   10   10   58                                       
CONECT    7    8    8    6   59                                       
CONECT    8   14    7    7    9                                       
CONECT    9    8   11   11   60                                       
CONECT   10    6    6   11   12                                       
CONECT   11    9    9   10   47                                       
CONECT   12   10   38   40   39                                       
CONECT   13    3    2   61   62                                       
CONECT   14   16   42   42    8                                       
CONECT   15   19   43   16   16                                       
CONECT   16   15   15   17   14                                       
CONECT   17   44   16   63   64                                       
CONECT   18   19   44   65   66                                       
CONECT   19   18   15   67   68                                       
CONECT   20   41    3   69   70                                       
CONECT   21   22   43   71   72                                       
CONECT   22   23   21   73   74                                       
CONECT   23   22   75   76   77                                       
CONECT   24   44   25   46   46                                       
CONECT   25   26   24   78   79                                       
CONECT   26   30   25   27   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   45   27   83   84                                       
CONECT   29   30   45   85   86                                       
CONECT   30   29   26   87   88                                       
CONECT   31   45   32   89   90                                       
CONECT   32   31   37   33   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   94   95                                       
CONECT   35   36   34   96   97                                       
CONECT   36   37   35   98   99                                       
CONECT   37   32   36  100  101                                       
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41    4   20    1                                            
CONECT   42   43   14   14                                            
CONECT   43   21   15   42                                            
CONECT   44   18   17   24                                            
CONECT   45   29   31   28                                            
CONECT   46   24   24                                                 
CONECT   47   11    5                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
