COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.191   1.300   0.196  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.011   0.524  -0.535  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.004   2.138   0.504  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.808   1.716  -0.235  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.904   2.593  -1.485  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.057  -3.498  -1.001  1.00  0.00           C  
HETATM    7  O   UNL     1       0.666   0.708   2.839  1.00  0.00           O  
HETATM    8  O   UNL     1       1.868   1.548   0.061  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.135  -1.697   2.006  1.00  0.00           O  
HETATM   10  F   UNL     1       3.825  -1.993  -2.204  1.00  0.00           F  
HETATM   11  C   UNL     1      -0.498   0.615   2.509  1.00  0.00           C  
HETATM   12  C   UNL     1       6.137  -0.606   0.227  1.00  0.00           C  
HETATM   13  C   UNL     1       5.272   0.118   1.026  1.00  0.00           C  
HETATM   14  C   UNL     1       5.652  -1.315  -0.858  1.00  0.00           C  
HETATM   15  C   UNL     1       3.920   0.137   0.745  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.740  -2.006  -0.878  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.329  -1.830  -0.314  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.011  -0.338  -0.191  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.389  -0.678   1.678  1.00  0.00           C  
HETATM   20  N   UNL     1       2.057  -0.555  -0.630  1.00  0.00           N  
HETATM   21  C   UNL     1       1.324   0.542  -0.353  1.00  0.00           C  
HETATM   22  C   UNL     1       4.299  -1.300  -1.145  1.00  0.00           C  
HETATM   23  C   UNL     1       3.428  -0.572  -0.342  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.557  -0.161   0.248  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.983  -0.565   2.076  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.689   1.851  -2.569  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.624   3.898  -1.137  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.445  -0.279  -0.865  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.331   2.278   0.568  1.00  0.00           H  
HETATM   30  H   UNL     1       0.098   2.817  -1.850  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.998  -3.964  -0.018  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.063  -3.623  -1.403  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.337  -3.968  -1.671  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.572  -2.497   1.684  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.145   1.478   2.563  1.00  0.00           H  
HETATM   36  H   UNL     1       7.194  -0.616   0.447  1.00  0.00           H  
HETATM   37  H   UNL     1       5.655   0.670   1.872  1.00  0.00           H  
HETATM   38  H   UNL     1       6.330  -1.880  -1.480  1.00  0.00           H  
HETATM   39  H   UNL     1       3.245   0.703   1.370  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.799  -1.540  -1.862  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.460  -1.536  -0.209  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.270  -2.296   0.669  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.609  -2.300  -0.983  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.161   0.146  -1.156  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.672   0.114   0.549  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.006  -0.085   2.353  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.698  -1.722   1.726  1.00  0.00           H  
HETATM   48  H   UNL     1       1.635  -1.332  -1.028  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.904  -0.723  -0.420  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.691   1.627  -2.203  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.758   2.476  -3.459  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.176   0.922  -2.816  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.048   4.443  -0.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.723   4.508  -2.035  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.614   3.673  -0.740  1.00  0.00           H  
CONECT    1    3    3    4   24                                       
CONECT    2    4   21   28                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   29                                       
CONECT    5    4   26   27   30                                       
CONECT    6   16   31   32   33                                       
CONECT    7   11   11                                                 
CONECT    8   21   21                                                 
CONECT    9   25   34                                                 
CONECT   10   22                                                      
CONECT   11    7    7   25   35                                       
CONECT   12   13   13   14   36                                       
CONECT   13   12   12   15   37                                       
CONECT   14   12   22   22   38                                       
CONECT   15   13   23   23   39                                       
CONECT   16    6   17   40   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   17   24   44   45                                       
CONECT   19   24   25   46   47                                       
CONECT   20   21   23   48                                            
CONECT   21    2    8    8   20                                       
CONECT   22   10   14   14   23                                       
CONECT   23   15   15   20   22                                       
CONECT   24    1   18   19   49                                       
CONECT   25    9   11   19                                            
CONECT   26    5   50   51   52                                       
CONECT   27    5   53   54   55                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
