COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.293  -0.806   0.232  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.001  -2.154  -0.140  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.281  -3.115   0.880  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.906  -4.512   0.382  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.493  -4.581   0.176  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.774  -3.078   1.217  1.00  0.00           C  
HETATM    7  O   UNL     1      -9.047  -3.996   2.278  1.00  0.00           O  
HETATM    8  C   UNL     1      -9.155  -1.661   1.657  1.00  0.00           C  
HETATM    9  O   UNL     1     -10.561  -1.599   1.904  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.786  -0.676   0.543  1.00  0.00           C  
HETATM   11  O   UNL     1      -9.071   0.658   0.972  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.409   1.305  -0.704  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.295   1.550  -2.108  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.860   0.524  -2.926  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.656   0.878  -4.401  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.259   0.876  -4.702  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.358   0.405  -2.633  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.914  -0.659  -3.408  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.556   0.110  -1.143  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.953   0.070  -0.845  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.889   1.217  -0.321  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.004   0.915   1.071  1.00  0.00           O  
HETATM   23  C   UNL     1       0.857   1.804   0.700  1.00  0.00           C  
HETATM   24  O   UNL     1       1.192   3.189   0.808  1.00  0.00           O  
HETATM   25  C   UNL     1       0.579   4.016  -0.182  1.00  0.00           C  
HETATM   26  C   UNL     1       1.030   5.465   0.013  1.00  0.00           C  
HETATM   27  O   UNL     1       2.434   5.564  -0.229  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.943   3.932  -0.045  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.559   4.713  -1.071  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.381   2.470  -0.182  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.792   2.373   0.018  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.655   1.631   0.873  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.999   0.254   0.708  1.00  0.00           O  
HETATM   34  C   UNL     1       4.925  -0.161   0.652  1.00  0.00           C  
HETATM   35  O   UNL     1       5.465  -0.232   1.973  1.00  0.00           O  
HETATM   36  C   UNL     1       5.131   0.884   2.801  1.00  0.00           C  
HETATM   37  C   UNL     1       5.783   0.714   4.174  1.00  0.00           C  
HETATM   38  O   UNL     1       7.205   0.759   4.036  1.00  0.00           O  
HETATM   39  C   UNL     1       3.611   0.960   2.963  1.00  0.00           C  
HETATM   40  O   UNL     1       3.271   2.108   3.743  1.00  0.00           O  
HETATM   41  C   UNL     1       2.962   1.070   1.579  1.00  0.00           C  
HETATM   42  O   UNL     1       1.540   1.068   1.717  1.00  0.00           O  
HETATM   43  C   UNL     1       3.397  -0.127   0.728  1.00  0.00           C  
HETATM   44  O   UNL     1       2.856   0.002  -0.589  1.00  0.00           O  
HETATM   45  C   UNL     1       8.592  -0.803  -1.904  1.00  0.00           C  
HETATM   46  O   UNL     1       8.910  -0.184  -3.153  1.00  0.00           O  
HETATM   47  O   UNL     1       8.933  -2.189  -1.959  1.00  0.00           O  
HETATM   48  C   UNL     1       8.678  -2.901  -0.746  1.00  0.00           C  
HETATM   49  C   UNL     1       9.105  -4.361  -0.912  1.00  0.00           C  
HETATM   50  O   UNL     1      10.521  -4.424  -1.097  1.00  0.00           O  
HETATM   51  C   UNL     1       7.182  -2.840  -0.426  1.00  0.00           C  
HETATM   52  O   UNL     1       6.932  -3.503   0.816  1.00  0.00           O  
HETATM   53  C   UNL     1       6.749  -1.374  -0.321  1.00  0.00           C  
HETATM   54  O   UNL     1       5.340  -1.307  -0.094  1.00  0.00           O  
HETATM   55  C   UNL     1       7.093  -0.657  -1.630  1.00  0.00           C  
HETATM   56  O   UNL     1       6.760   0.728  -1.518  1.00  0.00           O  
HETATM   57  H   UNL     1      -6.713  -0.539   1.115  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.701  -2.878   1.771  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.201  -5.254   1.124  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.420  -4.714  -0.558  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.183  -5.440  -0.140  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.354  -3.354   0.337  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.976  -4.025   2.544  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.613  -1.403   2.567  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.873  -0.728   2.187  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.366  -0.903  -0.351  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.856   1.335   0.316  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.914   0.366  -0.458  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.371  -0.425  -2.709  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.163   0.142  -5.025  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.069   1.867  -4.598  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.055   1.092  -5.622  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.855   1.341  -2.888  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.819  -0.540  -4.363  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.102  -0.850  -0.897  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.376   2.170  -0.530  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.598   1.573   1.651  1.00  0.00           H  
HETATM   78  H   UNL     1       1.155   1.433  -0.280  1.00  0.00           H  
HETATM   79  H   UNL     1       0.874   3.675  -1.174  1.00  0.00           H  
HETATM   80  H   UNL     1       0.494   6.110  -0.684  1.00  0.00           H  
HETATM   81  H   UNL     1       0.814   5.778   1.035  1.00  0.00           H  
HETATM   82  H   UNL     1       2.790   6.457  -0.123  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.243   4.312   0.932  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.323   5.650  -1.048  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.127   2.106  -1.178  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.948   1.964   1.869  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.571  -0.338   1.341  1.00  0.00           H  
HETATM   88  H   UNL     1       5.286   0.743   0.160  1.00  0.00           H  
HETATM   89  H   UNL     1       5.494   1.802   2.337  1.00  0.00           H  
HETATM   90  H   UNL     1       5.457   1.519   4.833  1.00  0.00           H  
HETATM   91  H   UNL     1       5.489  -0.245   4.600  1.00  0.00           H  
HETATM   92  H   UNL     1       7.685   0.657   4.869  1.00  0.00           H  
HETATM   93  H   UNL     1       3.252   0.061   3.463  1.00  0.00           H  
HETATM   94  H   UNL     1       3.652   2.107   4.632  1.00  0.00           H  
HETATM   95  H   UNL     1       3.282   1.995   1.099  1.00  0.00           H  
HETATM   96  H   UNL     1       3.034  -1.049   1.183  1.00  0.00           H  
HETATM   97  H   UNL     1       3.092  -0.723  -1.183  1.00  0.00           H  
HETATM   98  H   UNL     1       9.156  -0.321  -1.106  1.00  0.00           H  
HETATM   99  H   UNL     1       9.846  -0.239  -3.391  1.00  0.00           H  
HETATM  100  H   UNL     1       9.243  -2.447   0.068  1.00  0.00           H  
HETATM  101  H   UNL     1       8.830  -4.923  -0.020  1.00  0.00           H  
HETATM  102  H   UNL     1       8.606  -4.789  -1.781  1.00  0.00           H  
HETATM  103  H   UNL     1      10.863  -5.322  -1.209  1.00  0.00           H  
HETATM  104  H   UNL     1       6.619  -3.330  -1.220  1.00  0.00           H  
HETATM  105  H   UNL     1       7.187  -4.436   0.822  1.00  0.00           H  
HETATM  106  H   UNL     1       7.276  -0.897   0.505  1.00  0.00           H  
HETATM  107  H   UNL     1       6.528  -1.104  -2.449  1.00  0.00           H  
HETATM  108  H   UNL     1       6.951   1.244  -2.313  1.00  0.00           H  
CONECT    1   20    2   10   57                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    6   58                                       
CONECT    4    5    3   59   60                                       
CONECT    5    4   61                                                 
CONECT    6    3    8    7   62                                       
CONECT    7    6   63                                                 
CONECT    8   10    6    9   64                                       
CONECT    9    8   65                                                 
CONECT   10    1   11    8   66                                       
CONECT   11   10   67                                                 
CONECT   12   13   31   21   68                                       
CONECT   13   14   12                                                 
CONECT   14   15   13   17   69                                       
CONECT   15   16   14   70   71                                       
CONECT   16   15   72                                                 
CONECT   17   14   18   19   73                                       
CONECT   18   17   74                                                 
CONECT   19   17   21   20   75                                       
CONECT   20   19    1                                                 
CONECT   21   12   19   22   76                                       
CONECT   22   21   77                                                 
CONECT   23   24   32   42   78                                       
CONECT   24   25   23                                                 
CONECT   25   26   28   24   79                                       
CONECT   26   27   25   80   81                                       
CONECT   27   26   82                                                 
CONECT   28   29   25   30   83                                       
CONECT   29   28   84                                                 
CONECT   30   28   31   32   85                                       
CONECT   31   12   30                                                 
CONECT   32   30   23   33   86                                       
CONECT   33   32   87                                                 
CONECT   34   43   35   54   88                                       
CONECT   35   36   34                                                 
CONECT   36   39   35   37   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   92                                                 
CONECT   39   40   41   36   93                                       
CONECT   40   39   94                                                 
CONECT   41   42   39   43   95                                       
CONECT   42   23   41                                                 
CONECT   43   41   44   34   96                                       
CONECT   44   43   97                                                 
CONECT   45   55   46   47   98                                       
CONECT   46   45   99                                                 
CONECT   47   45   48                                                 
CONECT   48   51   47   49  100                                       
CONECT   49   48   50  101  102                                       
CONECT   50   49  103                                                 
CONECT   51   53   52   48  104                                       
CONECT   52   51  105                                                 
CONECT   53   54   55   51  106                                       
CONECT   54   34   53                                                 
CONECT   55   56   53   45  107                                       
CONECT   56   55  108                                                 
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
CONECT   99   46                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
CONECT  107   55                                                      
CONECT  108   56                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
