COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.860   0.867   1.088  1.00  0.00           C  
HETATM    2  O   UNL     1     -11.528   0.544   2.210  1.00  0.00           O  
HETATM    3  C   UNL     1     -11.613  -0.046  -0.047  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.979   0.310  -1.286  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.632   1.615  -1.516  1.00  0.00           C  
HETATM    6  O   UNL     1     -12.965   1.938  -2.639  1.00  0.00           O  
HETATM    7  C   UNL     1     -12.879   2.528  -0.382  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.545   3.859  -0.617  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.775   3.098   2.016  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.517   2.169   0.858  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.947  -1.378   0.188  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.451  -1.199   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.709  -1.910  -0.629  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.337  -2.988  -1.474  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.227  -1.651  -0.719  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.484  -2.610   0.213  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.002  -2.350   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.335  -1.990   1.192  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.065  -1.730   2.484  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.837  -1.834   1.128  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.487  -0.369   0.861  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.990  -0.214   0.797  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.421   0.199  -0.309  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.261   0.492  -1.525  1.00  0.00           C  
HETATM   25  C   UNL     1       1.074   0.382  -0.364  1.00  0.00           C  
HETATM   26  C   UNL     1       1.722  -0.882  -0.934  1.00  0.00           C  
HETATM   27  C   UNL     1       3.217  -0.699  -0.989  1.00  0.00           C  
HETATM   28  C   UNL     1       3.998  -1.483  -0.288  1.00  0.00           C  
HETATM   29  C   UNL     1       3.402  -2.545   0.598  1.00  0.00           C  
HETATM   30  C   UNL     1       5.495  -1.322  -0.369  1.00  0.00           C  
HETATM   31  C   UNL     1       5.973  -0.428   0.777  1.00  0.00           C  
HETATM   32  C   UNL     1       7.470  -0.266   0.697  1.00  0.00           C  
HETATM   33  C   UNL     1       7.992   0.922   0.519  1.00  0.00           C  
HETATM   34  C   UNL     1       7.096   2.110   0.276  1.00  0.00           C  
HETATM   35  C   UNL     1       9.488   1.101   0.558  1.00  0.00           C  
HETATM   36  C   UNL     1      10.045   1.045  -0.866  1.00  0.00           C  
HETATM   37  C   UNL     1      11.541   1.224  -0.827  1.00  0.00           C  
HETATM   38  C   UNL     1      12.326   0.281  -1.286  1.00  0.00           C  
HETATM   39  C   UNL     1      11.739  -1.026  -1.754  1.00  0.00           C  
HETATM   40  C   UNL     1      13.815   0.503  -1.347  1.00  0.00           C  
HETATM   41  C   UNL     1      14.468  -0.071  -0.089  1.00  0.00           C  
HETATM   42  C   UNL     1      15.958   0.151  -0.150  1.00  0.00           C  
HETATM   43  C   UNL     1      16.553   0.859   0.778  1.00  0.00           C  
HETATM   44  C   UNL     1      15.741   1.497   1.876  1.00  0.00           C  
HETATM   45  C   UNL     1      18.049   1.036   0.747  1.00  0.00           C  
HETATM   46  H   UNL     1     -11.798  -0.357  -2.116  1.00  0.00           H  
HETATM   47  H   UNL     1     -13.769   3.971  -1.678  1.00  0.00           H  
HETATM   48  H   UNL     1     -14.471   3.909  -0.043  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.878   4.660  -0.299  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.411   2.641   2.937  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.255   4.041   1.849  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.846   3.283   2.102  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.263  -1.776   1.152  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.233  -2.072  -0.603  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.990  -0.486   0.850  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.758  -2.544  -2.376  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.580  -3.722  -1.750  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.129  -3.479  -0.908  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.892  -1.807  -1.744  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.020  -0.623  -0.421  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.819  -2.454   1.238  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.691  -3.638  -0.084  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.491  -2.461  -0.821  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.212  -2.671   3.014  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.477  -1.053   3.104  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.034  -1.278   2.270  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.399  -2.146   2.076  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.442  -2.455   0.324  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.926  -0.058  -0.088  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.883   0.251   1.665  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.386  -0.443   1.662  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.659   1.504  -1.456  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.646   0.403  -2.421  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.085  -0.220  -1.577  1.00  0.00           H  
HETATM   75  H   UNL     1       1.313   1.232  -1.002  1.00  0.00           H  
HETATM   76  H   UNL     1       1.455   0.563   0.641  1.00  0.00           H  
HETATM   77  H   UNL     1       1.483  -1.732  -0.295  1.00  0.00           H  
HETATM   78  H   UNL     1       1.340  -1.064  -1.939  1.00  0.00           H  
HETATM   79  H   UNL     1       3.643   0.077  -1.606  1.00  0.00           H  
HETATM   80  H   UNL     1       3.248  -3.457   0.021  1.00  0.00           H  
HETATM   81  H   UNL     1       4.080  -2.750   1.427  1.00  0.00           H  
HETATM   82  H   UNL     1       2.445  -2.198   0.989  1.00  0.00           H  
HETATM   83  H   UNL     1       5.970  -2.299  -0.290  1.00  0.00           H  
HETATM   84  H   UNL     1       5.760  -0.864  -1.322  1.00  0.00           H  
HETATM   85  H   UNL     1       5.498   0.550   0.698  1.00  0.00           H  
HETATM   86  H   UNL     1       5.708  -0.885   1.730  1.00  0.00           H  
HETATM   87  H   UNL     1       8.111  -1.130   0.785  1.00  0.00           H  
HETATM   88  H   UNL     1       6.767   2.518   1.231  1.00  0.00           H  
HETATM   89  H   UNL     1       7.647   2.872  -0.275  1.00  0.00           H  
HETATM   90  H   UNL     1       6.228   1.798  -0.304  1.00  0.00           H  
HETATM   91  H   UNL     1       9.726   2.067   1.003  1.00  0.00           H  
HETATM   92  H   UNL     1       9.933   0.306   1.155  1.00  0.00           H  
HETATM   93  H   UNL     1       9.806   0.079  -1.311  1.00  0.00           H  
HETATM   94  H   UNL     1       9.599   1.840  -1.463  1.00  0.00           H  
HETATM   95  H   UNL     1      11.966   2.130  -0.421  1.00  0.00           H  
HETATM   96  H   UNL     1      11.413  -0.929  -2.789  1.00  0.00           H  
HETATM   97  H   UNL     1      12.494  -1.809  -1.683  1.00  0.00           H  
HETATM   98  H   UNL     1      10.886  -1.286  -1.127  1.00  0.00           H  
HETATM   99  H   UNL     1      14.221   0.005  -2.227  1.00  0.00           H  
HETATM  100  H   UNL     1      14.021   1.572  -1.408  1.00  0.00           H  
HETATM  101  H   UNL     1      14.062   0.427   0.791  1.00  0.00           H  
HETATM  102  H   UNL     1      14.263  -1.140  -0.028  1.00  0.00           H  
HETATM  103  H   UNL     1      16.534  -0.273  -0.958  1.00  0.00           H  
HETATM  104  H   UNL     1      15.610   0.785   2.691  1.00  0.00           H  
HETATM  105  H   UNL     1      16.261   2.381   2.246  1.00  0.00           H  
HETATM  106  H   UNL     1      14.765   1.786   1.486  1.00  0.00           H  
HETATM  107  H   UNL     1      18.460   0.508  -0.113  1.00  0.00           H  
HETATM  108  H   UNL     1      18.288   2.097   0.669  1.00  0.00           H  
HETATM  109  H   UNL     1      18.482   0.633   1.662  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   11                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   10   10                                       
CONECT    8    7   47   48   49                                       
CONECT    9   10   50   51   52                                       
CONECT   10    1    7    7    9                                       
CONECT   11    3   12   53   54                                       
CONECT   12   11   13   13   55                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   16   59   60                                       
CONECT   16   15   17   61   62                                       
CONECT   17   16   18   18   63                                       
CONECT   18   17   17   19   20                                       
CONECT   19   18   64   65   66                                       
CONECT   20   18   21   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23   23   71                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   72   73   74                                       
CONECT   25   23   26   75   76                                       
CONECT   26   25   27   77   78                                       
CONECT   27   26   28   28   79                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28   80   81   82                                       
CONECT   30   28   31   83   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   33   33   87                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   88   89   90                                       
CONECT   35   33   36   91   92                                       
CONECT   36   35   37   93   94                                       
CONECT   37   36   38   38   95                                       
CONECT   38   37   37   39   40                                       
CONECT   39   38   96   97   98                                       
CONECT   40   38   41   99  100                                       
CONECT   41   40   42  101  102                                       
CONECT   42   41   43   43  103                                       
CONECT   43   42   42   44   45                                       
CONECT   44   43  104  105  106                                       
CONECT   45   43  107  108  109                                       
CONECT   46    4                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
