COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.194   0.141   2.284  1.00  0.00           C  
HETATM    2  O   UNL     1      10.022   0.141   1.467  1.00  0.00           O  
HETATM    3  C   UNL     1      10.191   0.407   0.146  1.00  0.00           C  
HETATM    4  C   UNL     1       9.088   0.424  -0.714  1.00  0.00           C  
HETATM    5  C   UNL     1       9.272   0.699  -2.068  1.00  0.00           C  
HETATM    6  C   UNL     1      10.538   0.951  -2.553  1.00  0.00           C  
HETATM    7  C   UNL     1      11.628   0.933  -1.700  1.00  0.00           C  
HETATM    8  C   UNL     1      11.457   0.668  -0.355  1.00  0.00           C  
HETATM    9  C   UNL     1       7.730   0.152  -0.188  1.00  0.00           C  
HETATM   10  N   UNL     1       6.696   0.174  -1.019  1.00  0.00           N  
HETATM   11  C   UNL     1       5.472  -0.065  -0.582  1.00  0.00           C  
HETATM   12  C   UNL     1       4.304  -0.039  -1.533  1.00  0.00           C  
HETATM   13  O   UNL     1       3.100  -0.326  -0.818  1.00  0.00           O  
HETATM   14  C   UNL     1       1.946  -0.343  -1.535  1.00  0.00           C  
HETATM   15  C   UNL     1       0.739  -0.609  -0.903  1.00  0.00           C  
HETATM   16  C   UNL     1       0.708  -0.881   0.579  1.00  0.00           C  
HETATM   17  C   UNL     1       0.646   0.446   1.340  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.589   1.104   1.050  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.587   2.458   1.084  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.772   3.185   0.814  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.703   4.579   0.865  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.273   5.278   0.501  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.011   3.703   0.284  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.107   2.711   0.479  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.448   1.276   0.360  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.324   0.627  -0.869  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.843   1.386  -2.079  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.643  -0.711  -0.976  1.00  0.00           C  
HETATM   29 CL   UNL     1      -3.490  -1.520  -2.504  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -4.085  -1.412   0.139  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.397  -2.731   0.032  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.846  -3.391   1.217  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.147  -4.857   0.902  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.911  -5.532   0.485  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.047  -5.810   1.641  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.738  -6.439   1.157  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.036  -7.674   0.418  1.00  0.00           N  
HETATM   38  C   UNL     1      -0.799  -8.349   0.001  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.900  -7.397  -0.738  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.208  -6.767  -0.254  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.209  -0.770   1.363  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.887   0.567   1.478  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.428   3.486  -0.066  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.204   2.591   0.676  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.527   2.392   0.344  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.088   3.077  -0.722  1.00  0.00           C  
HETATM   47  F   UNL     1      -9.386   2.878  -1.042  1.00  0.00           F  
HETATM   48  C   UNL     1      -7.324   3.966  -1.462  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.001   4.177  -1.136  1.00  0.00           C  
HETATM   50  N   UNL     1      -0.533   5.160   1.163  1.00  0.00           N  
HETATM   51  C   UNL     1       0.538   4.441   1.404  1.00  0.00           C  
HETATM   52  N   UNL     1       0.521   3.120   1.374  1.00  0.00           N  
HETATM   53  C   UNL     1       0.739   0.181   2.820  1.00  0.00           C  
HETATM   54  O   UNL     1      -0.197   0.438   3.540  1.00  0.00           O  
HETATM   55  O   UNL     1       1.861  -0.341   3.340  1.00  0.00           O  
HETATM   56  C   UNL     1      -0.433  -0.624  -1.633  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.405  -0.375  -2.993  1.00  0.00           C  
HETATM   58  C   UNL     1       0.796  -0.109  -3.625  1.00  0.00           C  
HETATM   59  C   UNL     1       1.970  -0.087  -2.898  1.00  0.00           C  
HETATM   60  C   UNL     1       5.276  -0.340   0.764  1.00  0.00           C  
HETATM   61  C   UNL     1       6.377  -0.354   1.605  1.00  0.00           C  
HETATM   62  N   UNL     1       7.576  -0.112   1.103  1.00  0.00           N  
HETATM   63  H   UNL     1      11.668   1.122   2.240  1.00  0.00           H  
HETATM   64  H   UNL     1      10.919  -0.085   3.314  1.00  0.00           H  
HETATM   65  H   UNL     1      11.890  -0.615   1.920  1.00  0.00           H  
HETATM   66  H   UNL     1       8.424   0.713  -2.737  1.00  0.00           H  
HETATM   67  H   UNL     1      10.680   1.163  -3.602  1.00  0.00           H  
HETATM   68  H   UNL     1      12.617   1.130  -2.087  1.00  0.00           H  
HETATM   69  H   UNL     1      12.311   0.659   0.306  1.00  0.00           H  
HETATM   70  H   UNL     1       4.228   0.948  -1.990  1.00  0.00           H  
HETATM   71  H   UNL     1       4.452  -0.789  -2.311  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.170  -1.479   0.821  1.00  0.00           H  
HETATM   73  H   UNL     1       1.609  -1.423   0.868  1.00  0.00           H  
HETATM   74  H   UNL     1       1.477   1.081   1.032  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.757   1.320  -2.141  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.286   0.957  -2.978  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.139   2.432  -1.993  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.069  -3.335   1.980  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.750  -2.905   1.583  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.545  -5.346   1.791  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.880  -4.913   0.097  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.830  -4.879   2.165  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.553  -6.498   2.317  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.218  -5.740   0.503  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.107  -6.672   2.015  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.209  -8.603   0.882  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.048  -9.259  -0.544  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.223  -7.686  -0.644  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.393  -6.708  -1.414  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.116  -8.328  -1.262  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.728  -7.466   0.400  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.839  -6.534  -1.112  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.553  -1.318   2.228  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.984   1.066   2.431  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.768   2.057   1.507  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.128   1.701   0.916  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.766   4.496  -2.292  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.406   4.870  -1.713  1.00  0.00           H  
HETATM   99  H   UNL     1       1.464   4.945   1.641  1.00  0.00           H  
HETATM  100  H   UNL     1       1.874  -0.493   4.295  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.372  -0.832  -1.141  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.323  -0.387  -3.562  1.00  0.00           H  
HETATM  103  H   UNL     1       0.815   0.085  -4.687  1.00  0.00           H  
HETATM  104  H   UNL     1       2.907   0.124  -3.391  1.00  0.00           H  
HETATM  105  H   UNL     1       4.285  -0.533   1.148  1.00  0.00           H  
HETATM  106  H   UNL     1       6.258  -0.564   2.658  1.00  0.00           H  
CONECT    1    2   63   64   65                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    9    3    3    5                                       
CONECT    5    4    6    6   66                                       
CONECT    6    5    5    7   67                                       
CONECT    7    8    8    6   68                                       
CONECT    8    3    7    7   69                                       
CONECT    9   62   62   10    4                                       
CONECT   10   11   11    9                                            
CONECT   11   60   12   10   10                                       
CONECT   12   13   11   70   71                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   59   59                                       
CONECT   15   16   56   56   14                                       
CONECT   16   15   17   72   73                                       
CONECT   17   16   53   18   74                                       
CONECT   18   17   19                                                 
CONECT   19   18   52   52   20                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   50   22                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   43   22                                       
CONECT   24   25   20   23   23                                       
CONECT   25   42   42   26   24                                       
CONECT   26   28   28   25   27                                       
CONECT   27   26   75   76   77                                       
CONECT   28   30   29   26   26                                       
CONECT   29   28                                                      
CONECT   30   31   41   41   28                                       
CONECT   31   32   30                                                 
CONECT   32   33   31   78   79                                       
CONECT   33   34   32   80   81                                       
CONECT   34   40   33   35                                            
CONECT   35   34   36   82   83                                       
CONECT   36   37   35   84   85                                       
CONECT   37   39   38   36                                            
CONECT   38   37   86   87   88                                       
CONECT   39   40   37   89   90                                       
CONECT   40   39   34   91   92                                       
CONECT   41   30   30   42   93                                       
CONECT   42   41   25   25   94                                       
CONECT   43   49   23   44   44                                       
CONECT   44   43   43   45   95                                       
CONECT   45   46   46   44   96                                       
CONECT   46   48   47   45   45                                       
CONECT   47   46                                                      
CONECT   48   49   49   46   97                                       
CONECT   49   48   48   43   98                                       
CONECT   50   51   51   21                                            
CONECT   51   52   50   50   99                                       
CONECT   52   19   19   51                                            
CONECT   53   54   54   55   17                                       
CONECT   54   53   53                                                 
CONECT   55   53  100                                                 
CONECT   56   15   15   57  101                                       
CONECT   57   56   58   58  102                                       
CONECT   58   57   57   59  103                                       
CONECT   59   14   14   58  104                                       
CONECT   60   61   61   11  105                                       
CONECT   61   60   60   62  106                                       
CONECT   62   61    9    9                                            
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   16                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   38                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   51                                                      
CONECT  100   55                                                      
CONECT  101   56                                                      
CONECT  102   57                                                      
CONECT  103   58                                                      
CONECT  104   59                                                      
CONECT  105   60                                                      
CONECT  106   61                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
