COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.365   0.885   0.695  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.675   1.101  -0.497  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.309   1.287  -0.478  1.00  0.00           C  
HETATM    4  C   UNL     1       0.380   1.258   0.729  1.00  0.00           C  
HETATM    5  F   UNL     1       6.853  -1.479   1.734  1.00  0.00           F  
HETATM    6  C   UNL     1       5.846  -2.057   0.953  1.00  0.00           C  
HETATM    7  F   UNL     1       6.347  -3.198   0.316  1.00  0.00           F  
HETATM    8  F   UNL     1       4.769  -2.415   1.770  1.00  0.00           F  
HETATM    9  C   UNL     1       5.383  -1.065  -0.084  1.00  0.00           C  
HETATM   10  C   UNL     1       4.852   0.148   0.310  1.00  0.00           C  
HETATM   11  C   UNL     1       5.496  -1.367  -1.428  1.00  0.00           C  
HETATM   12  C   UNL     1       5.071  -0.458  -2.378  1.00  0.00           C  
HETATM   13  C   UNL     1       4.535   0.754  -1.984  1.00  0.00           C  
HETATM   14  C   UNL     1       4.433   1.060  -0.641  1.00  0.00           C  
HETATM   15  C   UNL     1       3.848   2.381  -0.211  1.00  0.00           C  
HETATM   16  O   UNL     1       4.213   3.392  -1.152  1.00  0.00           O  
HETATM   17  C   UNL     1       2.346   2.269  -0.151  1.00  0.00           C  
HETATM   18  O   UNL     1       1.659   2.920  -0.910  1.00  0.00           O  
HETATM   19  N   UNL     1       1.767   1.447   0.746  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.305   1.044   1.918  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.671   0.857   1.904  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.422   1.131  -1.806  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.835   0.691   0.678  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.768   1.511   1.222  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.017   0.997   1.000  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.268   1.616   1.446  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.930  -0.178   0.303  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.824  -1.053  -0.153  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.440  -2.126  -0.810  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.491  -3.086  -1.306  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.170  -2.397  -1.053  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.204  -1.583  -0.636  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.567  -0.424   0.063  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.875  -1.870  -0.892  1.00  0.00           N  
HETATM   35  H   UNL     1       0.226   1.454  -1.401  1.00  0.00           H  
HETATM   36  H   UNL     1       4.765   0.384   1.360  1.00  0.00           H  
HETATM   37  H   UNL     1       5.915  -2.314  -1.736  1.00  0.00           H  
HETATM   38  H   UNL     1       5.159  -0.693  -3.429  1.00  0.00           H  
HETATM   39  H   UNL     1       4.203   1.464  -2.727  1.00  0.00           H  
HETATM   40  H   UNL     1       4.232   2.645   0.774  1.00  0.00           H  
HETATM   41  H   UNL     1       3.903   3.222  -2.052  1.00  0.00           H  
HETATM   42  H   UNL     1       2.311   0.985   1.403  1.00  0.00           H  
HETATM   43  H   UNL     1       0.233   1.022   2.854  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.204   0.690   2.829  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.741   2.151  -2.019  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.768   0.781  -2.605  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.296   0.483  -1.741  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.557   2.430   1.749  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.636   2.290   0.672  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.010   0.840   1.635  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.089   2.178   2.363  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.802  -2.797  -2.310  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.080  -4.095  -1.329  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.351  -3.059  -0.637  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.638  -2.674  -1.380  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.181  -1.267  -0.583  1.00  0.00           H  
CONECT    1   23   21   21    2                                       
CONECT    2    1   22    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4   20   20    3   19                                       
CONECT    5    6                                                      
CONECT    6    8    9    7    5                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9   10   10   11    6                                       
CONECT   10   14    9    9   36                                       
CONECT   11   12   12    9   37                                       
CONECT   12   13   11   11   38                                       
CONECT   13   14   14   12   39                                       
CONECT   14   15   13   13   10                                       
CONECT   15   17   16   14   40                                       
CONECT   16   15   41                                                 
CONECT   17   19   18   18   15                                       
CONECT   18   17   17                                                 
CONECT   19    4   17   42                                            
CONECT   20   21    4    4   43                                       
CONECT   21    1    1   20   44                                       
CONECT   22    2   45   46   47                                       
CONECT   23   33   24   24    1                                       
CONECT   24   25   23   23   48                                       
CONECT   25   26   27   24                                            
CONECT   26   25   49   50   51                                       
CONECT   27   28   25   33   33                                       
CONECT   28   29   29   27                                            
CONECT   29   30   28   28   31                                       
CONECT   30   29   52   53   54                                       
CONECT   31   29   32   32                                            
CONECT   32   31   31   33   34                                       
CONECT   33   27   27   32   23                                       
CONECT   34   32   55   56                                            
CONECT   35    3                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
