COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.243  -0.797  -2.040  1.00  0.00           C  
HETATM    2  C   UNL     1       1.018  -1.197  -2.435  1.00  0.00           C  
HETATM    3  C   UNL     1       2.084  -1.095  -1.558  1.00  0.00           C  
HETATM    4  C   UNL     1       1.889  -0.590  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1       0.629  -0.189   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       3.051  -0.481   0.670  1.00  0.00           C  
HETATM    7  C   UNL     1       4.108   0.430   0.055  1.00  0.00           C  
HETATM    8  N   UNL     1       4.999  -3.514   1.377  1.00  0.00           N  
HETATM    9  N   UNL     1      -1.718   0.121  -0.362  1.00  0.00           N  
HETATM   10  O   UNL     1      -7.829   0.796   1.045  1.00  0.00           O  
HETATM   11  C   UNL     1       5.328   0.478   0.984  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.279   0.815   0.589  1.00  0.00           N  
HETATM   13  C   UNL     1       4.767  -2.192   1.078  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.808  -0.540  -0.800  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.148  -0.171  -0.297  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.472   1.143   1.036  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.601   0.458   0.583  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.276  -0.855  -0.749  1.00  0.00           C  
HETATM   19  C   UNL     1       2.561   0.147   1.976  1.00  0.00           C  
HETATM   20  F   UNL     1      -8.963  -1.213   1.132  1.00  0.00           F  
HETATM   21  C   UNL     1      -8.940   0.053   0.539  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.472  -0.524  -0.299  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.688  -1.441  -1.608  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.442  -0.291  -0.763  1.00  0.00           C  
HETATM   25  F   UNL     1       3.317  -1.488  -1.946  1.00  0.00           F  
HETATM   26  N   UNL     1       3.553  -1.809   0.949  1.00  0.00           N  
HETATM   27  S   UNL     1       6.158  -1.131   0.896  1.00  0.00           S  
HETATM   28  C   UNL     1       3.543   1.817  -0.110  1.00  0.00           C  
HETATM   29  C   UNL     1       3.466   2.665   0.979  1.00  0.00           C  
HETATM   30  C   UNL     1       2.953   3.940   0.827  1.00  0.00           C  
HETATM   31  C   UNL     1       2.519   4.367  -0.414  1.00  0.00           C  
HETATM   32  C   UNL     1       2.597   3.520  -1.503  1.00  0.00           C  
HETATM   33  C   UNL     1       3.109   2.244  -1.351  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.074  -0.873  -2.726  1.00  0.00           H  
HETATM   35  H   UNL     1       1.173  -1.591  -3.429  1.00  0.00           H  
HETATM   36  H   UNL     1       0.477   0.205   1.110  1.00  0.00           H  
HETATM   37  H   UNL     1       4.405   0.038  -0.918  1.00  0.00           H  
HETATM   38  H   UNL     1       4.253  -4.125   1.485  1.00  0.00           H  
HETATM   39  H   UNL     1       5.908  -3.836   1.481  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.818   0.883   0.230  1.00  0.00           H  
HETATM   41  H   UNL     1       6.010   1.264   0.658  1.00  0.00           H  
HETATM   42  H   UNL     1       5.005   0.671   2.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.578   1.943   1.754  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.171  -1.654  -1.467  1.00  0.00           H  
HETATM   45  H   UNL     1       1.863  -0.532   2.466  1.00  0.00           H  
HETATM   46  H   UNL     1       3.411   0.331   2.632  1.00  0.00           H  
HETATM   47  H   UNL     1       2.058   1.090   1.760  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.865   0.580   0.771  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.844  -0.053  -0.542  1.00  0.00           H  
HETATM   50  H   UNL     1       3.805   2.332   1.949  1.00  0.00           H  
HETATM   51  H   UNL     1       2.891   4.602   1.678  1.00  0.00           H  
HETATM   52  H   UNL     1       2.117   5.363  -0.532  1.00  0.00           H  
HETATM   53  H   UNL     1       2.258   3.853  -2.473  1.00  0.00           H  
HETATM   54  H   UNL     1       3.174   1.584  -2.203  1.00  0.00           H  
CONECT    1    2   24   24   34                                       
CONECT    2    3    3    1   35                                       
CONECT    3   25    2    2    4                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4   24   36                                       
CONECT    6    7   19    4   26                                       
CONECT    7   28   11    6   37                                       
CONECT    8   13   38   39                                            
CONECT    9   24   14   40                                            
CONECT   10   17   21                                                 
CONECT   11    7   27   41   42                                       
CONECT   12   15   16   16                                            
CONECT   13   27   26   26    8                                       
CONECT   14    9   23   23   15                                       
CONECT   15   14   18   18   12                                       
CONECT   16   12   12   17   43                                       
CONECT   17   22   22   16   10                                       
CONECT   18   15   15   22   44                                       
CONECT   19    6   45   46   47                                       
CONECT   20   21                                                      
CONECT   21   10   20   48   49                                       
CONECT   22   18   17   17                                            
CONECT   23   14   14                                                 
CONECT   24    1    1    5    9                                       
CONECT   25    3                                                      
CONECT   26    6   13   13                                            
CONECT   27   11   13                                                 
CONECT   28   29   29   33    7                                       
CONECT   29   30   28   28   50                                       
CONECT   30   31   31   29   51                                       
CONECT   31   30   30   32   52                                       
CONECT   32   31   33   33   53                                       
CONECT   33   28   32   32   54                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
