COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.086   0.143  -0.081  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.449  -0.068  -0.246  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.810   0.685  -0.026  1.00  0.00           C  
HETATM    4  O   UNL     1     -11.483   1.884  -0.164  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.707  -0.146  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.873  -1.516  -0.112  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.144  -2.059  -0.168  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.250  -1.233  -0.152  1.00  0.00           C  
HETATM    9  C   UNL     1       0.333  -2.420  -0.128  1.00  0.00           C  
HETATM   10  C   UNL     1       1.574  -1.607   0.135  1.00  0.00           C  
HETATM   11  C   UNL     1       0.184  -3.489   0.957  1.00  0.00           C  
HETATM   12  C   UNL     1       0.445  -3.095  -1.497  1.00  0.00           C  
HETATM   13  C   UNL     1       0.434  -2.029  -2.594  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.066  -2.814   2.307  1.00  0.00           C  
HETATM   15  C   UNL     1       1.660  -0.827   1.273  1.00  0.00           C  
HETATM   16  C   UNL     1       2.797  -0.081   1.516  1.00  0.00           C  
HETATM   17  C   UNL     1       3.853  -0.115   0.617  1.00  0.00           C  
HETATM   18  C   UNL     1       3.764  -0.898  -0.524  1.00  0.00           C  
HETATM   19  C   UNL     1       2.628  -1.647  -0.760  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.629   2.179   0.051  1.00  0.00           C  
HETATM   21  C   UNL     1       2.889   0.770   2.757  1.00  0.00           C  
HETATM   22  O   UNL     1       4.972   0.619   0.854  1.00  0.00           O  
HETATM   23  C   UNL     1       6.019   0.536  -0.115  1.00  0.00           C  
HETATM   24  C   UNL     1       7.188   1.423   0.320  1.00  0.00           C  
HETATM   25  O   UNL     1       6.775   2.791   0.314  1.00  0.00           O  
HETATM   26  C   UNL     1       8.356   1.238  -0.650  1.00  0.00           C  
HETATM   27  C   UNL     1       7.915   1.631  -2.061  1.00  0.00           C  
HETATM   28  C   UNL     1       9.525   2.125  -0.215  1.00  0.00           C  
HETATM   29  C   UNL     1       8.798  -0.227  -0.643  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.173   0.958  -0.061  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.456   0.330  -0.121  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.549   1.400  -0.087  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.922   0.728  -0.151  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.016   1.798  -0.117  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.368   1.136  -0.181  1.00  0.00           C  
HETATM   36  H   UNL     1     -12.327   1.414  -0.207  1.00  0.00           H  
HETATM   37  H   UNL     1       0.287   0.276   0.002  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.271  -3.130  -0.223  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.242  -1.657  -0.195  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.657  -4.139   0.714  1.00  0.00           H  
HETATM   41  H   UNL     1       1.097  -4.082   1.011  1.00  0.00           H  
HETATM   42  H   UNL     1       1.377  -3.659  -1.548  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.397  -3.772  -1.639  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.460  -1.413  -2.493  1.00  0.00           H  
HETATM   45  H   UNL     1       1.320  -1.401  -2.500  1.00  0.00           H  
HETATM   46  H   UNL     1       0.434  -2.512  -3.571  1.00  0.00           H  
HETATM   47  H   UNL     1       0.818  -2.247   2.599  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.919  -2.139   2.223  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.277  -3.574   3.059  1.00  0.00           H  
HETATM   50  H   UNL     1       0.837  -0.801   1.972  1.00  0.00           H  
HETATM   51  H   UNL     1       4.585  -0.926  -1.226  1.00  0.00           H  
HETATM   52  H   UNL     1       2.560  -2.261  -1.646  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.608   2.490   1.095  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.690   2.456  -0.429  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.456   2.672  -0.459  1.00  0.00           H  
HETATM   56  H   UNL     1       3.321   0.184   3.568  1.00  0.00           H  
HETATM   57  H   UNL     1       3.521   1.636   2.557  1.00  0.00           H  
HETATM   58  H   UNL     1       1.892   1.106   3.042  1.00  0.00           H  
HETATM   59  H   UNL     1       6.358  -0.497  -0.195  1.00  0.00           H  
HETATM   60  H   UNL     1       5.647   0.873  -1.082  1.00  0.00           H  
HETATM   61  H   UNL     1       7.502   1.143   1.326  1.00  0.00           H  
HETATM   62  H   UNL     1       6.481   3.109  -0.551  1.00  0.00           H  
HETATM   63  H   UNL     1       7.600   2.675  -2.066  1.00  0.00           H  
HETATM   64  H   UNL     1       8.748   1.500  -2.752  1.00  0.00           H  
HETATM   65  H   UNL     1       7.083   0.999  -2.371  1.00  0.00           H  
HETATM   66  H   UNL     1       9.839   1.845   0.790  1.00  0.00           H  
HETATM   67  H   UNL     1      10.357   1.994  -0.906  1.00  0.00           H  
HETATM   68  H   UNL     1       9.210   3.169  -0.220  1.00  0.00           H  
HETATM   69  H   UNL     1       7.966  -0.859  -0.952  1.00  0.00           H  
HETATM   70  H   UNL     1       9.631  -0.358  -1.334  1.00  0.00           H  
HETATM   71  H   UNL     1       9.113  -0.507   0.363  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.537  -0.243  -1.044  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.574  -0.337   0.733  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.468   1.973   0.837  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.431   2.068  -0.940  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.003   0.155  -1.075  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.040   0.060   0.702  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.935   2.371   0.806  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.898   2.465  -0.971  1.00  0.00           H  
CONECT    1    3    3    8   30                                       
CONECT    2   35   35                                                 
CONECT    3    1    1    5   20                                       
CONECT    4   35   36                                                 
CONECT    5    3    6    6   37                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   38                                       
CONECT    8    1    7    7   39                                       
CONECT    9    6   10   11   12                                       
CONECT   10    9   15   15   19                                       
CONECT   11    9   14   40   41                                       
CONECT   12    9   13   42   43                                       
CONECT   13   12   44   45   46                                       
CONECT   14   11   47   48   49                                       
CONECT   15   10   10   16   50                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   19   51                                       
CONECT   19   10   18   18   52                                       
CONECT   20    3   53   54   55                                       
CONECT   21   16   56   57   58                                       
CONECT   22   17   23                                                 
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   26   61                                       
CONECT   25   24   62                                                 
CONECT   26   24   27   28   29                                       
CONECT   27   26   63   64   65                                       
CONECT   28   26   66   67   68                                       
CONECT   29   26   69   70   71                                       
CONECT   30    1   31                                                 
CONECT   31   30   32   72   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   78   79                                       
CONECT   35    2    2    4   34                                       
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
