COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.981  -0.369  -0.880  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.392  -0.821  -0.493  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.019   0.225   0.434  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.018   1.584  -0.273  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.583   1.943  -0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.580   3.272  -1.427  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.170  -0.287   0.293  1.00  0.00           O  
HETATM    8  O   UNL     1     -11.190  -0.955  -1.671  1.00  0.00           O  
HETATM    9  O   UNL     1     -12.363  -0.153   0.740  1.00  0.00           O  
HETATM   10  O   UNL     1     -11.534   2.582   0.610  1.00  0.00           O  
HETATM   11  O   UNL     1      -9.049   0.915  -1.504  1.00  0.00           O  
HETATM   12  C   UNL     1     -12.485  -0.973   1.904  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.947   0.514   0.006  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.844  -0.540   0.145  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.387  -1.854   0.131  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.032  -2.115  -0.020  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.130  -1.051  -0.159  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.602   0.266  -0.145  1.00  0.00           C  
HETATM   19  I   UNL     1      -6.649   2.488   0.019  1.00  0.00           I  
HETATM   20  O   UNL     1      -7.268  -2.882   0.267  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.459  -3.403   1.584  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.583  -3.396  -0.033  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.430  -4.017  -1.311  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.636   1.413  -0.294  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.690  -1.319  -0.320  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.219  -1.462  -1.433  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.651  -1.431   1.098  1.00  0.00           S  
HETATM   28  C   UNL     1       2.730  -0.817   0.105  1.00  0.00           C  
HETATM   29  C   UNL     1       1.739  -0.420  -0.992  1.00  0.00           C  
HETATM   30  C   UNL     1       0.341  -0.285  -0.382  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.039  -1.606   0.294  1.00  0.00           C  
HETATM   32  C   UNL     1       1.020  -1.957   1.342  1.00  0.00           C  
HETATM   33  C   UNL     1       0.680  -3.305   1.981  1.00  0.00           C  
HETATM   34  O   UNL     1       4.027  -1.000  -0.466  1.00  0.00           O  
HETATM   35  O   UNL     1       0.341   0.766   0.586  1.00  0.00           O  
HETATM   36  O   UNL     1       2.301  -2.037   0.714  1.00  0.00           O  
HETATM   37  C   UNL     1       9.196  -1.696  -0.011  1.00  0.00           C  
HETATM   38  C   UNL     1       8.828  -0.228  -0.241  1.00  0.00           C  
HETATM   39  C   UNL     1       7.461   0.053   0.393  1.00  0.00           C  
HETATM   40  C   UNL     1       6.427  -0.906  -0.205  1.00  0.00           C  
HETATM   41  C   UNL     1       6.888  -2.348   0.023  1.00  0.00           C  
HETATM   42  C   UNL     1       5.890  -3.311  -0.624  1.00  0.00           C  
HETATM   43  O   UNL     1      10.443  -1.980  -0.647  1.00  0.00           O  
HETATM   44  O   UNL     1       9.815   0.612   0.362  1.00  0.00           O  
HETATM   45  O   UNL     1       7.076   1.402   0.120  1.00  0.00           O  
HETATM   46  N   UNL     1       5.128  -0.697   0.448  1.00  0.00           N  
HETATM   47  O   UNL     1       8.178  -2.533  -0.564  1.00  0.00           O  
HETATM   48  C   UNL     1      10.936  -3.298  -0.399  1.00  0.00           C  
HETATM   49  C   UNL     1      10.085   1.809  -0.370  1.00  0.00           C  
HETATM   50  C   UNL     1      10.905   2.765   0.500  1.00  0.00           C  
HETATM   51  C   UNL     1      12.249   2.112   0.835  1.00  0.00           C  
HETATM   52  C   UNL     1      12.968   1.751  -0.469  1.00  0.00           C  
HETATM   53  C   UNL     1      12.068   0.834  -1.301  1.00  0.00           C  
HETATM   54  O   UNL     1      13.051   3.027   1.585  1.00  0.00           O  
HETATM   55  C   UNL     1      12.873   2.930   3.000  1.00  0.00           C  
HETATM   56  N   UNL     1      14.225   1.057  -0.160  1.00  0.00           N  
HETATM   57  C   UNL     1      15.195   1.214  -1.253  1.00  0.00           C  
HETATM   58  C   UNL     1      16.488   0.479  -0.896  1.00  0.00           C  
HETATM   59  O   UNL     1      10.823   1.490  -1.551  1.00  0.00           O  
HETATM   60  H   UNL     1      -8.546  -1.088  -1.573  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.339  -1.780   0.022  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.439   0.291   1.354  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.639   1.531  -1.167  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.971   2.036   0.230  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.897   4.073  -0.759  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.574   3.480  -1.791  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.267   3.209  -2.271  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.848  -1.598  -2.307  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.562   3.469   0.228  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.917  -1.893   1.762  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.096  -0.436   2.770  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.535  -1.217   2.069  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.115  -4.272   1.540  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.496  -3.696   2.003  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.911  -2.638   2.215  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.151  -5.062  -1.176  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.372  -3.961  -1.857  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.652  -3.503  -1.874  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.283   1.722   0.690  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.788   1.098  -0.902  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.139   2.250  -0.779  1.00  0.00           H  
HETATM   82  H   UNL     1       2.772  -0.030   0.859  1.00  0.00           H  
HETATM   83  H   UNL     1       2.040   0.532  -1.428  1.00  0.00           H  
HETATM   84  H   UNL     1       1.727  -1.188  -1.766  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.379  -0.058  -1.169  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.089  -2.397  -0.454  1.00  0.00           H  
HETATM   87  H   UNL     1       1.040  -1.185   2.112  1.00  0.00           H  
HETATM   88  H   UNL     1       0.743  -4.090   1.227  1.00  0.00           H  
HETATM   89  H   UNL     1       1.385  -3.515   2.784  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.332  -3.270   2.385  1.00  0.00           H  
HETATM   91  H   UNL     1       0.580   1.631   0.228  1.00  0.00           H  
HETATM   92  H   UNL     1       9.282  -1.886   1.059  1.00  0.00           H  
HETATM   93  H   UNL     1       8.781  -0.027  -1.311  1.00  0.00           H  
HETATM   94  H   UNL     1       7.520  -0.100   1.470  1.00  0.00           H  
HETATM   95  H   UNL     1       6.333  -0.719  -1.275  1.00  0.00           H  
HETATM   96  H   UNL     1       6.943  -2.547   1.093  1.00  0.00           H  
HETATM   97  H   UNL     1       5.835  -3.112  -1.694  1.00  0.00           H  
HETATM   98  H   UNL     1       6.219  -4.338  -0.461  1.00  0.00           H  
HETATM   99  H   UNL     1       4.906  -3.169  -0.177  1.00  0.00           H  
HETATM  100  H   UNL     1       7.626   2.064   0.560  1.00  0.00           H  
HETATM  101  H   UNL     1       5.052   0.243   0.807  1.00  0.00           H  
HETATM  102  H   UNL     1      11.886  -3.434  -0.916  1.00  0.00           H  
HETATM  103  H   UNL     1      11.083  -3.435   0.673  1.00  0.00           H  
HETATM  104  H   UNL     1      10.215  -4.030  -0.764  1.00  0.00           H  
HETATM  105  H   UNL     1       9.144   2.285  -0.647  1.00  0.00           H  
HETATM  106  H   UNL     1      11.076   3.695  -0.043  1.00  0.00           H  
HETATM  107  H   UNL     1      10.362   2.975   1.422  1.00  0.00           H  
HETATM  108  H   UNL     1      12.080   1.209   1.420  1.00  0.00           H  
HETATM  109  H   UNL     1      13.181   2.660  -1.031  1.00  0.00           H  
HETATM  110  H   UNL     1      12.556   0.608  -2.249  1.00  0.00           H  
HETATM  111  H   UNL     1      11.888  -0.092  -0.755  1.00  0.00           H  
HETATM  112  H   UNL     1      13.516   3.656   3.497  1.00  0.00           H  
HETATM  113  H   UNL     1      11.832   3.135   3.250  1.00  0.00           H  
HETATM  114  H   UNL     1      13.136   1.925   3.331  1.00  0.00           H  
HETATM  115  H   UNL     1      14.611   1.379   0.715  1.00  0.00           H  
HETATM  116  H   UNL     1      14.780   0.795  -2.170  1.00  0.00           H  
HETATM  117  H   UNL     1      15.407   2.273  -1.400  1.00  0.00           H  
HETATM  118  H   UNL     1      17.208   0.595  -1.706  1.00  0.00           H  
HETATM  119  H   UNL     1      16.903   0.898   0.022  1.00  0.00           H  
HETATM  120  H   UNL     1      16.276  -0.580  -0.748  1.00  0.00           H  
CONECT    1    2    7   11   60                                       
CONECT    2    1    3    8   61                                       
CONECT    3    2    4    9   62                                       
CONECT    4    3    5   10   63                                       
CONECT    5    4    6   11   64                                       
CONECT    6    5   65   66   67                                       
CONECT    7    1   14                                                 
CONECT    8    2   68                                                 
CONECT    9    3   12                                                 
CONECT   10    4   69                                                 
CONECT   11    1    5                                                 
CONECT   12    9   70   71   72                                       
CONECT   13   14   14   18   19                                       
CONECT   14    7   13   13   15                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   18   25                                       
CONECT   18   13   17   17   24                                       
CONECT   19   13                                                      
CONECT   20   15   21                                                 
CONECT   21   20   73   74   75                                       
CONECT   22   16   23                                                 
CONECT   23   22   76   77   78                                       
CONECT   24   18   79   80   81                                       
CONECT   25   17   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   31                                                 
CONECT   28   29   34   36   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   35   85                                       
CONECT   31   27   30   32   86                                       
CONECT   32   31   33   36   87                                       
CONECT   33   32   88   89   90                                       
CONECT   34   28   46                                                 
CONECT   35   30   91                                                 
CONECT   36   28   32                                                 
CONECT   37   38   43   47   92                                       
CONECT   38   37   39   44   93                                       
CONECT   39   38   40   45   94                                       
CONECT   40   39   41   46   95                                       
CONECT   41   40   42   47   96                                       
CONECT   42   41   97   98   99                                       
CONECT   43   37   48                                                 
CONECT   44   38   49                                                 
CONECT   45   39  100                                                 
CONECT   46   34   40  101                                            
CONECT   47   37   41                                                 
CONECT   48   43  102  103  104                                       
CONECT   49   44   50   59  105                                       
CONECT   50   49   51  106  107                                       
CONECT   51   50   52   54  108                                       
CONECT   52   51   53   56  109                                       
CONECT   53   52   59  110  111                                       
CONECT   54   51   55                                                 
CONECT   55   54  112  113  114                                       
CONECT   56   52   57  115                                            
CONECT   57   56   58  116  117                                       
CONECT   58   57  118  119  120                                       
CONECT   59   49   53                                                 
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   35                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   53                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   57                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
