COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.487   1.273  -1.840  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.194   0.250  -0.886  1.00  0.00           O  
HETATM    3  C   UNL     1       0.655   2.293  -1.860  1.00  0.00           C  
HETATM    4  O   UNL     1       1.883   1.630  -2.165  1.00  0.00           O  
HETATM    5  C   UNL     1       0.760   2.957  -0.483  1.00  0.00           C  
HETATM    6  O   UNL     1       1.776   3.961  -0.513  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.586   3.598  -0.133  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.521   4.158   1.180  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.679   2.528  -0.180  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.704   1.929  -1.477  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.037   3.172   0.111  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.040   2.157   0.182  1.00  0.00           O  
HETATM   13  O   UNL     1       4.427   0.882   1.990  1.00  0.00           O  
HETATM   14  C   UNL     1       0.785  -2.117  -2.104  1.00  0.00           C  
HETATM   15  C   UNL     1       1.719  -1.300  -1.277  1.00  0.00           C  
HETATM   16  C   UNL     1       1.722  -1.061   0.196  1.00  0.00           C  
HETATM   17  C   UNL     1       0.982  -1.438   1.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.211  -2.363   1.115  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.261  -1.545   0.401  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.078  -0.865  -0.944  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.695  -1.974  -1.886  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.692  -2.468   2.587  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.184  -2.185   2.425  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.347  -1.462   1.119  1.00  0.00           C  
HETATM   25  C   UNL     1       3.193  -1.733  -1.452  1.00  0.00           C  
HETATM   26  C   UNL     1       3.963  -0.844  -0.466  1.00  0.00           C  
HETATM   27  C   UNL     1       2.923  -0.136   0.405  1.00  0.00           C  
HETATM   28  C   UNL     1       3.384  -0.086   1.855  1.00  0.00           C  
HETATM   29  C   UNL     1       1.205  -3.580  -2.260  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.358  -3.207  -1.615  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.609  -0.742   0.722  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.772  -1.735   0.682  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.911   0.357   1.742  1.00  0.00           C  
HETATM   34  C   UNL     1       0.092  -3.759   0.616  1.00  0.00           C  
HETATM   35  C   UNL     1       4.934   1.009   3.320  1.00  0.00           C  
HETATM   36  H   UNL     1      -0.594   0.829  -2.829  1.00  0.00           H  
HETATM   37  H   UNL     1       0.452   3.052  -2.615  1.00  0.00           H  
HETATM   38  H   UNL     1       1.885   1.183  -3.023  1.00  0.00           H  
HETATM   39  H   UNL     1       1.012   2.206   0.265  1.00  0.00           H  
HETATM   40  H   UNL     1       2.655   3.625  -0.736  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.813   4.384  -0.853  1.00  0.00           H  
HETATM   42  H   UNL     1       0.155   4.841   1.284  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.472   1.763   0.569  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.990   3.704   1.060  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.284   3.872  -0.687  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.928   2.494   0.364  1.00  0.00           H  
HETATM   47  H   UNL     1       0.937  -1.710  -3.164  1.00  0.00           H  
HETATM   48  H   UNL     1       1.707  -0.270  -1.739  1.00  0.00           H  
HETATM   49  H   UNL     1       1.208  -1.072   2.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.068  -0.454  -1.274  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.116  -1.671  -2.898  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.516  -3.474   2.957  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.205  -1.714   3.194  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.746  -3.116   2.409  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.532  -1.551   3.241  1.00  0.00           H  
HETATM   56  H   UNL     1       3.332  -2.772  -1.173  1.00  0.00           H  
HETATM   57  H   UNL     1       3.516  -1.540  -2.470  1.00  0.00           H  
HETATM   58  H   UNL     1       4.619  -1.451   0.152  1.00  0.00           H  
HETATM   59  H   UNL     1       4.543  -0.104  -1.018  1.00  0.00           H  
HETATM   60  H   UNL     1       2.694   0.855   0.020  1.00  0.00           H  
HETATM   61  H   UNL     1       3.758  -1.066   2.152  1.00  0.00           H  
HETATM   62  H   UNL     1       2.546   0.192   2.494  1.00  0.00           H  
HETATM   63  H   UNL     1       1.545  -3.965  -1.298  1.00  0.00           H  
HETATM   64  H   UNL     1       0.354  -4.168  -2.606  1.00  0.00           H  
HETATM   65  H   UNL     1       2.014  -3.651  -2.986  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.322  -3.156  -1.672  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.478  -0.296  -0.264  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.903  -2.181   1.668  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.685  -1.214   0.395  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.556  -2.518  -0.045  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.083   1.065   1.771  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.824   0.878   1.455  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.042  -0.089   2.728  1.00  0.00           H  
HETATM   74  H   UNL     1       0.987  -4.136   1.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.750  -4.415   0.837  1.00  0.00           H  
HETATM   76  H   UNL     1       0.258  -3.731  -0.461  1.00  0.00           H  
HETATM   77  H   UNL     1       5.722   1.762   3.338  1.00  0.00           H  
HETATM   78  H   UNL     1       4.128   1.310   3.989  1.00  0.00           H  
HETATM   79  H   UNL     1       5.340   0.051   3.647  1.00  0.00           H  
CONECT    1   10    3    2   36                                       
CONECT    2    1   20                                                 
CONECT    3    1    5    4   37                                       
CONECT    4    3   38                                                 
CONECT    5    3    7    6   39                                       
CONECT    6    5   40                                                 
CONECT    7    5    8    9   41                                       
CONECT    8    7   42                                                 
CONECT    9    7   11   10   43                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   44   45                                       
CONECT   12   11   46                                                 
CONECT   13   35   28                                                 
CONECT   14   29   21   15   47                                       
CONECT   15   14   16   25   48                                       
CONECT   16   15   17   17   27                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   34   19   22                                       
CONECT   19   18   20   24   24                                       
CONECT   20    2   19   21   50                                       
CONECT   21   14   20   30   51                                       
CONECT   22   18   23   52   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   19   19   23   31                                       
CONECT   25   15   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   16   26   28   60                                       
CONECT   28   13   27   61   62                                       
CONECT   29   14   63   64   65                                       
CONECT   30   21   66                                                 
CONECT   31   24   33   32   67                                       
CONECT   32   31   68   69   70                                       
CONECT   33   31   71   72   73                                       
CONECT   34   18   74   75   76                                       
CONECT   35   13   77   78   79                                       
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
