COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.026  -0.043   0.791  1.00  0.00           O  
HETATM    2  C   UNL     1       4.219   0.817   0.495  1.00  0.00           C  
HETATM    3  N   UNL     1       4.222   1.967   1.187  1.00  0.00           N  
HETATM    4  C   UNL     1       3.350   2.958   0.903  1.00  0.00           C  
HETATM    5  O   UNL     1       3.359   3.997   1.536  1.00  0.00           O  
HETATM    6  C   UNL     1       2.387   2.749  -0.192  1.00  0.00           C  
HETATM    7  C   UNL     1       1.456   3.722  -0.545  1.00  0.00           C  
HETATM    8  C   UNL     1       0.575   3.477  -1.579  1.00  0.00           C  
HETATM    9  C   UNL     1       0.613   2.272  -2.262  1.00  0.00           C  
HETATM   10  C   UNL     1       1.532   1.298  -1.922  1.00  0.00           C  
HETATM   11  C   UNL     1       2.425   1.527  -0.887  1.00  0.00           C  
HETATM   12  N   UNL     1       3.366   0.577  -0.516  1.00  0.00           N  
HETATM   13  C   UNL     1       3.427  -0.701  -1.230  1.00  0.00           C  
HETATM   14  C   UNL     1       2.598  -1.725  -0.498  1.00  0.00           C  
HETATM   15  C   UNL     1       1.290  -1.945  -0.874  1.00  0.00           C  
HETATM   16  C   UNL     1       3.154  -2.444   0.545  1.00  0.00           C  
HETATM   17  C   UNL     1       2.402  -3.386   1.223  1.00  0.00           C  
HETATM   18  C   UNL     1       1.087  -3.615   0.861  1.00  0.00           C  
HETATM   19  F   UNL     1       0.352  -4.535   1.523  1.00  0.00           F  
HETATM   20  C   UNL     1       0.522  -2.894  -0.196  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.880  -3.135  -0.594  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.259  -4.266  -0.829  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.739  -2.102  -0.695  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.327  -0.739  -0.325  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.367  -0.162   0.642  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.111  -2.305  -1.185  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.084  -1.671  -0.186  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.702  -0.266   0.040  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.705   0.430   0.858  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.611   1.936   0.608  1.00  0.00           C  
HETATM   31  F   UNL     1      -3.315   2.377   0.896  1.00  0.00           F  
HETATM   32  F   UNL     1      -4.909   2.206  -0.732  1.00  0.00           F  
HETATM   33  F   UNL     1      -5.524   2.603   1.432  1.00  0.00           F  
HETATM   34  H   UNL     1       4.863   2.088   1.905  1.00  0.00           H  
HETATM   35  H   UNL     1       1.423   4.662  -0.014  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.149   4.229  -1.856  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.082   2.092  -3.069  1.00  0.00           H  
HETATM   38  H   UNL     1       1.554   0.362  -2.460  1.00  0.00           H  
HETATM   39  H   UNL     1       3.038  -0.572  -2.240  1.00  0.00           H  
HETATM   40  H   UNL     1       4.462  -1.040  -1.280  1.00  0.00           H  
HETATM   41  H   UNL     1       0.860  -1.385  -1.691  1.00  0.00           H  
HETATM   42  H   UNL     1       4.181  -2.270   0.832  1.00  0.00           H  
HETATM   43  H   UNL     1       2.842  -3.944   2.036  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.352  -0.770   0.161  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.271  -0.118  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.345  -0.724   1.576  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.137   0.885   0.841  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.226  -1.831  -2.160  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.314  -3.373  -1.271  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.098  -1.713  -0.582  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.038  -2.216   0.757  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.701   0.078   0.589  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.519   0.224   1.912  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   12                                       
CONECT    3    4    2   34                                            
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7    7   11                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   37                                       
CONECT   10   11   11    9   38                                       
CONECT   11    6   12   10   10                                       
CONECT   12    2   11   13                                            
CONECT   13   12   14   39   40                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   20   20   41                                       
CONECT   16   14   14   17   42                                       
CONECT   17   16   18   18   43                                       
CONECT   18   20   17   17   19                                       
CONECT   19   18                                                      
CONECT   20   15   15   21   18                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   26   24                                            
CONECT   24   25   23   44   45                                       
CONECT   25   28   24   46   47                                       
CONECT   26   27   23   48   49                                       
CONECT   27   28   26   50   51                                       
CONECT   28   29   27   25                                            
CONECT   29   28   30   52   53                                       
CONECT   30   29   33   31   32                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34    3                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
