COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.881  -0.163   0.146  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.954  -1.458   0.637  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.794  -2.201   0.804  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.570  -1.650   0.478  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.499  -0.357  -0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.654   0.385  -0.174  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.582   0.949   0.872  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.435   2.085   1.230  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.636   3.082   0.345  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.193   1.443   0.559  1.00  0.00           C  
HETATM   11  N   UNL     1       0.850   0.590   0.599  1.00  0.00           N  
HETATM   12  C   UNL     1       2.200   1.070   0.294  1.00  0.00           C  
HETATM   13  C   UNL     1       3.192  -0.089   0.410  1.00  0.00           C  
HETATM   14  C   UNL     1       5.593  -0.748   0.209  1.00  0.00           C  
HETATM   15  C   UNL     1       4.602   0.412   0.093  1.00  0.00           C  
HETATM   16  O   UNL     1       6.910  -0.279  -0.088  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.109   3.039  -0.749  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.420   4.126   0.674  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.784  -2.365  -0.280  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.014   2.607   0.271  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.162   0.243  -0.356  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.509  -3.818  -0.571  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.271  -2.146  -0.175  1.00  0.00           C  
HETATM   24  O   UNL     1     -10.066  -2.424  -1.220  1.00  0.00           O  
HETATM   25  O   UNL     1      -9.748  -1.721   0.851  1.00  0.00           O  
HETATM   26  C   UNL     1       7.741  -1.345   0.031  1.00  0.00           C  
HETATM   27  C   UNL     1       7.235  -2.586   0.383  1.00  0.00           C  
HETATM   28  C   UNL     1       8.079  -3.673   0.505  1.00  0.00           C  
HETATM   29  C   UNL     1       9.436  -3.538   0.271  1.00  0.00           C  
HETATM   30  C   UNL     1       9.963  -2.309  -0.088  1.00  0.00           C  
HETATM   31  C   UNL     1       9.115  -1.198  -0.214  1.00  0.00           C  
HETATM   32  C   UNL     1       9.663   0.113  -0.595  1.00  0.00           C  
HETATM   33  O   UNL     1       9.738   0.423  -1.768  1.00  0.00           O  
HETATM   34  O   UNL     1      10.083   0.970   0.356  1.00  0.00           O  
HETATM   35  C   UNL     1      10.624   2.264  -0.020  1.00  0.00           C  
HETATM   36  O   UNL     1      11.294  -2.179  -0.316  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.925  -4.496   0.240  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.914  -4.358  -1.731  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.160  -1.999   0.952  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.635   5.201  -0.279  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.283   4.637  -1.545  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.557   6.253   0.340  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.294   5.844  -0.635  1.00  0.00           C  
HETATM   44  H   UNL     1      -6.782   0.417   0.015  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.848  -3.209   1.187  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.666  -2.228   0.608  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.596   1.393  -0.556  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.540   0.250   1.707  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.856   2.120   2.103  1.00  0.00           H  
HETATM   50  H   UNL     1       0.706  -0.341   0.829  1.00  0.00           H  
HETATM   51  H   UNL     1       2.474   1.855   0.999  1.00  0.00           H  
HETATM   52  H   UNL     1       2.224   1.468  -0.720  1.00  0.00           H  
HETATM   53  H   UNL     1       2.917  -0.874  -0.295  1.00  0.00           H  
HETATM   54  H   UNL     1       3.168  -0.488   1.425  1.00  0.00           H  
HETATM   55  H   UNL     1       5.319  -1.532  -0.496  1.00  0.00           H  
HETATM   56  H   UNL     1       5.569  -1.146   1.223  1.00  0.00           H  
HETATM   57  H   UNL     1       4.876   1.197   0.798  1.00  0.00           H  
HETATM   58  H   UNL     1       4.626   0.810  -0.922  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.383  -1.751  -1.087  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.287   0.964  -1.164  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.482  -0.546  -0.676  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.020  -2.283  -1.152  1.00  0.00           H  
HETATM   63  H   UNL     1       6.177  -2.703   0.568  1.00  0.00           H  
HETATM   64  H   UNL     1       7.677  -4.636   0.784  1.00  0.00           H  
HETATM   65  H   UNL     1      10.086  -4.395   0.369  1.00  0.00           H  
HETATM   66  H   UNL     1      11.501   2.121  -0.651  1.00  0.00           H  
HETATM   67  H   UNL     1       9.869   2.828  -0.568  1.00  0.00           H  
HETATM   68  H   UNL     1      10.908   2.814   0.878  1.00  0.00           H  
HETATM   69  H   UNL     1      11.701  -1.949   0.530  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.737  -5.291  -1.917  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.239   4.178  -1.291  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.445   5.443  -2.260  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.626   3.886  -1.986  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.096   6.655   1.242  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.719   7.060  -0.375  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.513   5.795   0.594  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.637   5.093  -1.076  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.456   6.650  -1.350  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.832   6.245   0.267  1.00  0.00           H  
CONECT    1    2    2    6   44                                       
CONECT    2    1    1    3   39                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   21                                       
CONECT    6    1    5    5   47                                       
CONECT    7    8   10   21   48                                       
CONECT    8    7    9   49                                            
CONECT    9    8   17   17   18                                       
CONECT   10    7   11   20   20                                       
CONECT   11   10   12   50                                            
CONECT   12   11   13   51   52                                       
CONECT   13   12   15   53   54                                       
CONECT   14   15   16   55   56                                       
CONECT   15   13   14   57   58                                       
CONECT   16   14   26                                                 
CONECT   17    9    9                                                 
CONECT   18    9   40                                                 
CONECT   19   22   23   39   59                                       
CONECT   20   10   10                                                 
CONECT   21    5    7   60   61                                       
CONECT   22   19   37   37   38                                       
CONECT   23   19   24   25   25                                       
CONECT   24   23   62                                                 
CONECT   25   23   23                                                 
CONECT   26   16   27   27   31                                       
CONECT   27   26   26   28   63                                       
CONECT   28   27   29   29   64                                       
CONECT   29   28   28   30   65                                       
CONECT   30   29   31   31   36                                       
CONECT   31   26   30   30   32                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   35                                                 
CONECT   35   34   66   67   68                                       
CONECT   36   30   69                                                 
CONECT   37   22   22                                                 
CONECT   38   22   70                                                 
CONECT   39    2   19                                                 
CONECT   40   18   41   42   43                                       
CONECT   41   40   71   72   73                                       
CONECT   42   40   74   75   76                                       
CONECT   43   40   77   78   79                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   24                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   38                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
