COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.946  -1.720  -0.636  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.774  -0.570  -0.281  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.823   0.271  -0.188  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.171  -0.201  -0.516  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.793  -0.867   0.715  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.223  -1.303   0.385  1.00  0.00           C  
HETATM    7  N   UNL     1     -10.014  -0.131  -0.013  1.00  0.00           N  
HETATM    8  C   UNL     1     -11.426  -0.489  -0.204  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.462   0.496  -1.221  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.040   0.986  -0.939  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.419  -0.097   0.054  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.220   1.224   0.469  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.950   1.663   0.782  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.755   2.947   1.185  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.910   3.786   1.262  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.329  -0.971  -0.036  1.00  0.00           C  
HETATM   17  F   UNL     1      -2.518  -2.249  -0.431  1.00  0.00           F  
HETATM   18  C   UNL     1      -1.061  -0.525   0.279  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.865   0.789   0.686  1.00  0.00           C  
HETATM   20  N   UNL     1       0.417   1.235   1.003  1.00  0.00           N  
HETATM   21  C   UNL     1       1.526   0.609   0.452  1.00  0.00           C  
HETATM   22  N   UNL     1       1.343  -0.326  -0.467  1.00  0.00           N  
HETATM   23  C   UNL     1       2.375  -0.956  -1.016  1.00  0.00           C  
HETATM   24  C   UNL     1       3.652  -0.618  -0.612  1.00  0.00           C  
HETATM   25  N   UNL     1       4.780  -1.269  -1.133  1.00  0.00           N  
HETATM   26  C   UNL     1       4.951  -1.438  -2.579  1.00  0.00           C  
HETATM   27  C   UNL     1       5.706  -1.736  -0.266  1.00  0.00           C  
HETATM   28  O   UNL     1       6.725  -2.249  -0.677  1.00  0.00           O  
HETATM   29  N   UNL     1       2.735   0.969   0.858  1.00  0.00           N  
HETATM   30  C   UNL     1       3.814   0.385   0.353  1.00  0.00           C  
HETATM   31  N   UNL     1       5.084   0.769   0.742  1.00  0.00           N  
HETATM   32  C   UNL     1       5.692  -0.180   1.679  1.00  0.00           C  
HETATM   33  C   UNL     1       5.459  -1.615   1.214  1.00  0.00           C  
HETATM   34  F   UNL     1       4.138  -1.982   1.493  1.00  0.00           F  
HETATM   35  F   UNL     1       6.330  -2.469   1.898  1.00  0.00           F  
HETATM   36  C   UNL     1       5.950   0.984  -0.425  1.00  0.00           C  
HETATM   37  C   UNL     1       5.366   2.092  -1.337  1.00  0.00           C  
HETATM   38  C   UNL     1       6.613   2.596  -2.104  1.00  0.00           C  
HETATM   39  C   UNL     1       7.742   2.565  -1.053  1.00  0.00           C  
HETATM   40  C   UNL     1       7.320   1.540   0.014  1.00  0.00           C  
HETATM   41  H   UNL     1      -5.686   1.188   0.095  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.116  -0.922  -1.332  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.202  -1.739   0.995  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.811  -0.157   1.542  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.203  -2.023  -0.434  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.674  -1.764   1.263  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.830  -0.884   0.729  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.989   0.396  -0.498  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.506  -1.247  -0.984  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.442  -0.232  -2.032  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.087   1.342  -1.508  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.062   1.725  -0.137  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.626   1.438  -1.840  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.059   1.900   0.544  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.615   4.781   1.595  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.374   3.855   0.278  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.621   3.361   1.970  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.220  -1.199   0.210  1.00  0.00           H  
HETATM   59  H   UNL     1       0.534   1.983   1.609  1.00  0.00           H  
HETATM   60  H   UNL     1       2.220  -1.719  -1.765  1.00  0.00           H  
HETATM   61  H   UNL     1       5.567  -0.627  -2.969  1.00  0.00           H  
HETATM   62  H   UNL     1       5.438  -2.392  -2.778  1.00  0.00           H  
HETATM   63  H   UNL     1       3.975  -1.419  -3.064  1.00  0.00           H  
HETATM   64  H   UNL     1       6.763   0.009   1.739  1.00  0.00           H  
HETATM   65  H   UNL     1       5.248  -0.046   2.666  1.00  0.00           H  
HETATM   66  H   UNL     1       6.076   0.056  -0.982  1.00  0.00           H  
HETATM   67  H   UNL     1       4.630   1.676  -2.026  1.00  0.00           H  
HETATM   68  H   UNL     1       4.929   2.893  -0.741  1.00  0.00           H  
HETATM   69  H   UNL     1       6.846   1.929  -2.934  1.00  0.00           H  
HETATM   70  H   UNL     1       6.454   3.612  -2.466  1.00  0.00           H  
HETATM   71  H   UNL     1       8.677   2.255  -1.519  1.00  0.00           H  
HETATM   72  H   UNL     1       7.858   3.550  -0.601  1.00  0.00           H  
HETATM   73  H   UNL     1       7.231   2.027   0.985  1.00  0.00           H  
HETATM   74  H   UNL     1       8.051   0.733   0.067  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   11    3                                       
CONECT    3    2    4   41                                            
CONECT    4    3   10    5   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7    9    6    8                                            
CONECT    8    7   47   48   49                                       
CONECT    9   10    7   50   51                                       
CONECT   10    4    9   52   53                                       
CONECT   11   12    2   16   16                                       
CONECT   12   13   13   11   54                                       
CONECT   13   14   12   12   19                                       
CONECT   14   15   13                                                 
CONECT   15   14   55   56   57                                       
CONECT   16   11   11   18   17                                       
CONECT   17   16                                                      
CONECT   18   19   19   16   58                                       
CONECT   19   13   20   18   18                                       
CONECT   20   19   21   59                                            
CONECT   21   20   22   22   29                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   30   25                                       
CONECT   25   24   26   27                                            
CONECT   26   25   61   62   63                                       
CONECT   27   25   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   21   30   30                                            
CONECT   30   29   29   24   31                                       
CONECT   31   30   36   32                                            
CONECT   32   31   33   64   65                                       
CONECT   33   27   32   35   34                                       
CONECT   34   33                                                      
CONECT   35   33                                                      
CONECT   36   31   40   37   66                                       
CONECT   37   36   38   67   68                                       
CONECT   38   37   39   69   70                                       
CONECT   39   40   38   71   72                                       
CONECT   40   36   39   73   74                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   23                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
