COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.866   1.556  -0.820  1.00  0.00           O  
HETATM    2  C   UNL     1       4.172   0.165  -0.716  1.00  0.00           C  
HETATM    3  C   UNL     1       4.021  -0.504  -2.084  1.00  0.00           C  
HETATM    4  O   UNL     1       2.648  -0.480  -2.477  1.00  0.00           O  
HETATM    5  O   UNL     1       3.292  -0.457   0.228  1.00  0.00           O  
HETATM    6  C   UNL     1       4.054  -1.057   1.288  1.00  0.00           C  
HETATM    7  C   UNL     1       5.392  -0.275   1.317  1.00  0.00           C  
HETATM    8  O   UNL     1       6.443  -1.074   1.864  1.00  0.00           O  
HETATM    9  C   UNL     1       5.616  -0.017  -0.200  1.00  0.00           C  
HETATM   10  O   UNL     1       6.240  -1.142  -0.822  1.00  0.00           O  
HETATM   11  C   UNL     1       3.321  -0.904   2.622  1.00  0.00           C  
HETATM   12  O   UNL     1       2.104  -1.651   2.585  1.00  0.00           O  
HETATM   13  C   UNL     1       2.581   1.828  -1.383  1.00  0.00           C  
HETATM   14  C   UNL     1       2.199   3.284  -1.104  1.00  0.00           C  
HETATM   15  C   UNL     1       2.097   3.496   0.409  1.00  0.00           C  
HETATM   16  C   UNL     1       1.079   2.508   0.985  1.00  0.00           C  
HETATM   17  C   UNL     1       1.504   1.082   0.626  1.00  0.00           C  
HETATM   18  C   UNL     1       0.460   0.091   1.146  1.00  0.00           C  
HETATM   19  O   UNL     1       3.199   4.152  -1.642  1.00  0.00           O  
HETATM   20  O   UNL     1       1.670   4.833   0.677  1.00  0.00           O  
HETATM   21  O   UNL     1       1.029   2.647   2.407  1.00  0.00           O  
HETATM   22  O   UNL     1       1.609   0.961  -0.794  1.00  0.00           O  
HETATM   23  O   UNL     1       0.750  -1.214   0.642  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.231  -2.198   0.979  1.00  0.00           C  
HETATM   25  C   UNL     1       0.197  -3.557   0.421  1.00  0.00           C  
HETATM   26  C   UNL     1       0.268  -3.475  -1.107  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.095  -3.029  -1.646  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.473  -1.689  -1.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.860  -1.266  -1.497  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.756  -4.552   0.803  1.00  0.00           O  
HETATM   31  O   UNL     1       1.267  -2.528  -1.489  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.082  -4.009  -1.319  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.490  -1.828   0.414  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.165   0.036  -0.993  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.446   0.529  -1.393  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.565   2.007  -1.014  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.469   2.145   0.509  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.559   1.288   1.158  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.401  -0.162   0.695  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.523  -1.014   1.293  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.507   2.745  -1.628  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.653   3.513   0.877  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.845   1.776   0.770  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.470  -0.216  -0.731  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.311  -2.386   0.955  1.00  0.00           O  
HETATM   46  H   UNL     1       4.619   0.035  -2.819  1.00  0.00           H  
HETATM   47  H   UNL     1       4.364  -1.537  -2.023  1.00  0.00           H  
HETATM   48  H   UNL     1       2.478  -0.888  -3.337  1.00  0.00           H  
HETATM   49  H   UNL     1       4.235  -2.111   1.075  1.00  0.00           H  
HETATM   50  H   UNL     1       5.288   0.661   1.865  1.00  0.00           H  
HETATM   51  H   UNL     1       6.293  -1.349   2.778  1.00  0.00           H  
HETATM   52  H   UNL     1       6.201   0.889  -0.359  1.00  0.00           H  
HETATM   53  H   UNL     1       7.149  -1.298  -0.531  1.00  0.00           H  
HETATM   54  H   UNL     1       3.952  -1.277   3.428  1.00  0.00           H  
HETATM   55  H   UNL     1       3.096   0.149   2.794  1.00  0.00           H  
HETATM   56  H   UNL     1       1.550  -1.541   3.370  1.00  0.00           H  
HETATM   57  H   UNL     1       2.613   1.660  -2.460  1.00  0.00           H  
HETATM   58  H   UNL     1       1.237   3.504  -1.568  1.00  0.00           H  
HETATM   59  H   UNL     1       3.071   3.325   0.868  1.00  0.00           H  
HETATM   60  H   UNL     1       0.094   2.711   0.564  1.00  0.00           H  
HETATM   61  H   UNL     1       2.470   0.864   1.082  1.00  0.00           H  
HETATM   62  H   UNL     1       0.486   0.075   2.235  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.530   0.399   0.811  1.00  0.00           H  
HETATM   64  H   UNL     1       3.320   4.067  -2.598  1.00  0.00           H  
HETATM   65  H   UNL     1       2.269   5.513   0.339  1.00  0.00           H  
HETATM   66  H   UNL     1       0.766   3.528   2.706  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.324  -2.262   2.063  1.00  0.00           H  
HETATM   68  H   UNL     1       1.178  -3.821   0.817  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.855  -4.654   1.759  1.00  0.00           H  
HETATM   70  H   UNL     1       0.518  -4.454  -1.515  1.00  0.00           H  
HETATM   71  H   UNL     1       2.173  -2.843  -1.371  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.039  -2.914  -2.728  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.906  -4.884  -1.691  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.742  -0.933  -1.291  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.872  -1.246  -2.586  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.604  -1.977  -1.138  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.557   0.420  -2.472  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.526   2.394  -1.354  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.489   1.806   0.845  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.464   1.337   2.243  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.437  -0.547   1.027  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.526  -0.902   2.377  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.482  -0.685   0.891  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.504   2.698  -2.594  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.995   4.114   0.500  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.014   2.692   1.031  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.986  -2.985   1.302  1.00  0.00           H  
CONECT    1   13    2                                                 
CONECT    2    1    3    5    9                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3   48                                                 
CONECT    5    2    6                                                 
CONECT    6    5   11    7   49                                       
CONECT    7    6    8    9   50                                       
CONECT    8    7   51                                                 
CONECT    9    2    7   10   52                                       
CONECT   10    9   53                                                 
CONECT   11    6   12   54   55                                       
CONECT   12   11   56                                                 
CONECT   13   22    1   14   57                                       
CONECT   14   13   15   19   58                                       
CONECT   15   16   14   20   59                                       
CONECT   16   17   21   15   60                                       
CONECT   17   22   18   16   61                                       
CONECT   18   17   23   62   63                                       
CONECT   19   14   64                                                 
CONECT   20   15   65                                                 
CONECT   21   16   66                                                 
CONECT   22   13   17                                                 
CONECT   23   24   18                                                 
CONECT   24   33   23   25   67                                       
CONECT   25   24   26   30   68                                       
CONECT   26   27   31   25   70                                       
CONECT   27   28   32   26   72                                       
CONECT   28   33   27   29   74                                       
CONECT   29   28   34   75   76                                       
CONECT   30   25   69                                                 
CONECT   31   26   71                                                 
CONECT   32   27   73                                                 
CONECT   33   24   28                                                 
CONECT   34   35   29                                                 
CONECT   35   44   34   36   77                                       
CONECT   36   35   37   41   78                                       
CONECT   37   38   42   36   79                                       
CONECT   38   39   43   37   80                                       
CONECT   39   44   40   38   81                                       
CONECT   40   39   45   82   83                                       
CONECT   41   36   84                                                 
CONECT   42   37   85                                                 
CONECT   43   38   86                                                 
CONECT   44   35   39                                                 
CONECT   45   40   87                                                 
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   30                                                      
CONECT   70   26                                                      
CONECT   71   31                                                      
CONECT   72   27                                                      
CONECT   73   32                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
