COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.137  -0.811   1.268  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.178  -2.159   0.545  1.00  0.00           C  
HETATM    3  O   UNL     1       4.026   0.736   0.675  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.562  -2.010  -0.848  1.00  0.00           C  
HETATM    5  O   UNL     1       0.794  -1.576  -0.724  1.00  0.00           O  
HETATM    6  C   UNL     1       6.314   0.947   0.313  1.00  0.00           C  
HETATM    7  C   UNL     1       7.156   0.753   1.428  1.00  0.00           C  
HETATM    8  C   UNL     1       8.431   1.467   1.518  1.00  0.00           C  
HETATM    9  C   UNL     1       8.373   3.415  -1.645  1.00  0.00           C  
HETATM   10  C   UNL     1       7.996   2.540  -0.604  1.00  0.00           C  
HETATM   11  C   UNL     1       8.822   2.342   0.503  1.00  0.00           C  
HETATM   12  C   UNL     1       9.250   1.251   2.646  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.931   0.222   0.466  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.006  -0.353   1.731  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.432  -0.879   1.588  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.888   1.570   1.188  1.00  0.00           C  
HETATM   17  C   UNL     1       5.035   0.236   0.216  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.702   1.403   0.615  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.813   0.324   1.053  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.901   1.390  -0.752  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.739   0.287   0.268  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.292   0.099   0.784  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.612   1.361   1.589  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.579  -0.669   0.379  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.288  -1.309  -0.991  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.858  -0.874  -1.386  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.636   0.414  -0.571  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.384  -0.240   0.335  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.178   0.791  -0.466  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.562   0.941  -1.859  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.110   1.404  -1.727  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.316   0.371  -0.927  1.00  0.00           C  
HETATM   33  O   UNL     1       0.219  -0.378   1.392  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.356  -0.977  -1.649  1.00  0.00           C  
HETATM   35  C   UNL     1       1.627  -1.950  -1.824  1.00  0.00           C  
HETATM   36  C   UNL     1       2.961  -1.204  -1.731  1.00  0.00           C  
HETATM   37  C   UNL     1       3.679  -1.617  -0.443  1.00  0.00           C  
HETATM   38  C   UNL     1       6.715   1.837  -0.706  1.00  0.00           C  
HETATM   39  C   UNL     1       5.907   2.059  -1.834  1.00  0.00           C  
HETATM   40  C   UNL     1       6.328   2.915  -2.804  1.00  0.00           C  
HETATM   41  C   UNL     1       7.546   3.585  -2.710  1.00  0.00           C  
HETATM   42  C   UNL     1       3.862  -3.137  -0.438  1.00  0.00           C  
HETATM   43  C   UNL     1       8.841   0.392   3.617  1.00  0.00           C  
HETATM   44  C   UNL     1       7.627  -0.286   3.528  1.00  0.00           C  
HETATM   45  C   UNL     1       6.793  -0.120   2.467  1.00  0.00           C  
HETATM   46  C   UNL     1       2.493  -3.809  -0.580  1.00  0.00           C  
HETATM   47  C   UNL     1       2.673  -5.327  -0.636  1.00  0.00           C  
HETATM   48  O   UNL     1      -3.239  -1.259   2.526  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.341   1.489  -1.194  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.531   2.002   1.311  1.00  0.00           O  
HETATM   51  O   UNL     1       3.773  -1.537  -2.858  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.172   2.031  -0.452  1.00  0.00           O  
HETATM   53  O   UNL     1     -11.764   1.686   1.134  1.00  0.00           O  
HETATM   54  O   UNL     1       4.978  -0.971  -0.383  1.00  0.00           O  
HETATM   55  O   UNL     1       4.466  -3.542   0.793  1.00  0.00           O  
HETATM   56  O   UNL     1       0.041   0.804  -0.804  1.00  0.00           O  
HETATM   57  O   UNL     1       1.866  -3.358  -1.783  1.00  0.00           O  
HETATM   58  H   UNL     1      -1.577  -0.918   2.259  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.612  -2.895   1.116  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.213  -2.490   0.450  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.590  -2.970  -1.363  1.00  0.00           H  
HETATM   62  H   UNL     1       9.312   3.945  -1.596  1.00  0.00           H  
HETATM   63  H   UNL     1       9.764   2.866   0.575  1.00  0.00           H  
HETATM   64  H   UNL     1      10.196   1.764   2.738  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.024   0.628   2.204  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.410  -1.842   1.076  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.867  -1.010   2.578  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.454   2.306   0.617  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.327   1.465   2.181  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.000  -0.339   1.884  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.087   2.111  -0.666  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.922   0.966  -1.756  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.690   1.906   1.791  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.291   1.993   1.017  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.083   1.081   2.531  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.801  -1.442   1.115  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.340  -2.395  -0.915  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.005  -0.952  -1.730  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.132  -1.637  -1.103  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.800  -0.669  -2.455  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.418  -1.204  -0.172  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.104   1.755   0.037  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.592  -0.019  -2.375  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.129   1.677  -2.429  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.672   1.510  -2.720  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.080   2.364  -1.212  1.00  0.00           H  
HETATM   87  H   UNL     1       0.763  -0.945   1.956  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.917  -0.871  -2.641  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.391  -1.308  -1.743  1.00  0.00           H  
HETATM   90  H   UNL     1       1.131  -1.693  -2.759  1.00  0.00           H  
HETATM   91  H   UNL     1       2.777  -0.130  -1.718  1.00  0.00           H  
HETATM   92  H   UNL     1       3.082  -1.318   0.419  1.00  0.00           H  
HETATM   93  H   UNL     1       4.959   1.551  -1.931  1.00  0.00           H  
HETATM   94  H   UNL     1       5.702   3.080  -3.669  1.00  0.00           H  
HETATM   95  H   UNL     1       7.841   4.256  -3.503  1.00  0.00           H  
HETATM   96  H   UNL     1       4.501  -3.430  -1.271  1.00  0.00           H  
HETATM   97  H   UNL     1       9.473   0.231   4.478  1.00  0.00           H  
HETATM   98  H   UNL     1       7.341  -0.960   4.323  1.00  0.00           H  
HETATM   99  H   UNL     1       5.857  -0.658   2.423  1.00  0.00           H  
HETATM  100  H   UNL     1       1.870  -3.548   0.275  1.00  0.00           H  
HETATM  101  H   UNL     1       3.152  -5.670   0.281  1.00  0.00           H  
HETATM  102  H   UNL     1       1.699  -5.805  -0.738  1.00  0.00           H  
HETATM  103  H   UNL     1       3.296  -5.588  -1.492  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.585  -1.389   3.420  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.045   1.684  -2.094  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.428   2.852   1.760  1.00  0.00           H  
HETATM  107  H   UNL     1       3.379  -1.303  -3.710  1.00  0.00           H  
HETATM  108  H   UNL     1       4.612  -4.495   0.865  1.00  0.00           H  
HETATM  109  H   UNL     1       0.495   0.920  -1.650  1.00  0.00           H  
CONECT    1   33    2   13   58                                       
CONECT    2    4    1   59   60                                       
CONECT    3   17   17                                                 
CONECT    4    5   34    2   61                                       
CONECT    5   35    4                                                 
CONECT    6    7    7   38   17                                       
CONECT    7    8   45    6    6                                       
CONECT    8   12   11   11    7                                       
CONECT    9   10   10   41   62                                       
CONECT   10   11    9    9   38                                       
CONECT   11    8    8   10   63                                       
CONECT   12   43   43    8   64                                       
CONECT   13   32    1   16   28                                       
CONECT   14   28   48   15   65                                       
CONECT   15   14   22   66   67                                       
CONECT   16   50   13   68   69                                       
CONECT   17    6   54    3    3                                       
CONECT   18   19   52   53   53                                       
CONECT   19   21   21   18   70                                       
CONECT   20   21   52   71   72                                       
CONECT   21   24   20   19   19                                       
CONECT   22   27   15   23   24                                       
CONECT   23   22   73   74   75                                       
CONECT   24   22   25   21   76                                       
CONECT   25   26   24   77   78                                       
CONECT   26   27   25   79   80                                       
CONECT   27   29   26   49   22                                       
CONECT   28   13   29   14   81                                       
CONECT   29   30   28   27   82                                       
CONECT   30   31   29   83   84                                       
CONECT   31   32   30   85   86                                       
CONECT   32   56   34   31   13                                       
CONECT   33    1   87                                                 
CONECT   34    4   32   88   89                                       
CONECT   35   36   57    5   90                                       
CONECT   36   51   37   35   91                                       
CONECT   37   54   36   42   92                                       
CONECT   38   10    6   39   39                                       
CONECT   39   38   38   40   93                                       
CONECT   40   41   41   39   94                                       
CONECT   41    9   40   40   95                                       
CONECT   42   37   55   46   96                                       
CONECT   43   12   12   44   97                                       
CONECT   44   43   45   45   98                                       
CONECT   45   44   44    7   99                                       
CONECT   46   42   57   47  100                                       
CONECT   47   46  101  102  103                                       
CONECT   48   14  104                                                 
CONECT   49   27  105                                                 
CONECT   50   16  106                                                 
CONECT   51   36  107                                                 
CONECT   52   20   18                                                 
CONECT   53   18   18                                                 
CONECT   54   17   37                                                 
CONECT   55   42  108                                                 
CONECT   56   32  109                                                 
CONECT   57   35   46                                                 
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    4                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   55                                                      
CONECT  109   56                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
