COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.909  -2.127  -0.571  1.00  0.00           C  
HETATM    2  C   UNL     1       2.517  -3.085  -1.392  1.00  0.00           C  
HETATM    3  C   UNL     1       4.595  -2.609  -0.491  1.00  0.00           C  
HETATM    4  C   UNL     1       6.831  -2.133   0.444  1.00  0.00           C  
HETATM    5  C   UNL     1       4.075  -1.642   0.357  1.00  0.00           C  
HETATM    6  C   UNL     1       2.710  -1.387   0.327  1.00  0.00           C  
HETATM    7  N   UNL     1       5.957  -2.873  -0.469  1.00  0.00           N  
HETATM    8  C   UNL     1       3.574   3.225  -0.940  1.00  0.00           C  
HETATM    9  O   UNL     1       2.387   2.391   0.987  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.387  -1.583   0.717  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.740  -1.331   0.680  1.00  0.00           C  
HETATM   12  C   UNL     1       0.516  -1.891  -0.634  1.00  0.00           C  
HETATM   13  C   UNL     1       2.995   0.319   2.073  1.00  0.00           C  
HETATM   14  C   UNL     1       3.501   1.586   1.380  1.00  0.00           C  
HETATM   15  C   UNL     1       4.756   2.347  -0.514  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.573  -0.963  -0.107  1.00  0.00           C  
HETATM   17  O   UNL     1       4.259   1.225   0.223  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.932  -0.693  -0.136  1.00  0.00           C  
HETATM   19  N   UNL     1       3.814  -3.289  -1.325  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.348   0.626  -0.028  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.403   1.627   0.104  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.675   0.098   0.030  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.219  -0.172   0.068  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.493  -0.678   0.142  1.00  0.00           C  
HETATM   25  N   UNL     1       2.147  -0.438   1.149  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.972   0.479  -0.475  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.326   0.733  -0.507  1.00  0.00           C  
HETATM   28  N   UNL     1       4.073   4.449  -1.581  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.037  -0.945   0.188  1.00  0.00           C  
HETATM   30  C   UNL     1       2.756   3.592   0.303  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.117   1.345   0.130  1.00  0.00           N  
HETATM   32  C   UNL     1       0.821  -0.198   1.110  1.00  0.00           C  
HETATM   33  O   UNL     1       0.335   0.646   1.842  1.00  0.00           O  
HETATM   34  F   UNL     1      -6.124  -2.233  -0.203  1.00  0.00           F  
HETATM   35 CL   UNL     1      -0.861   1.605  -1.191  1.00  0.00          Cl  
HETATM   36  H   UNL     1       1.917  -3.658  -2.084  1.00  0.00           H  
HETATM   37  H   UNL     1       6.512  -2.305   1.472  1.00  0.00           H  
HETATM   38  H   UNL     1       7.859  -2.474   0.320  1.00  0.00           H  
HETATM   39  H   UNL     1       6.773  -1.068   0.220  1.00  0.00           H  
HETATM   40  H   UNL     1       4.721  -1.097   1.030  1.00  0.00           H  
HETATM   41  H   UNL     1       6.330  -3.547  -1.058  1.00  0.00           H  
HETATM   42  H   UNL     1       2.946   2.676  -1.642  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.017  -2.478   1.194  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.432  -2.032   1.125  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.104  -2.449  -1.321  1.00  0.00           H  
HETATM   46  H   UNL     1       3.844  -0.295   2.372  1.00  0.00           H  
HETATM   47  H   UNL     1       2.417   0.594   2.955  1.00  0.00           H  
HETATM   48  H   UNL     1       4.132   2.148   2.067  1.00  0.00           H  
HETATM   49  H   UNL     1       5.288   1.997  -1.398  1.00  0.00           H  
HETATM   50  H   UNL     1       5.432   2.926   0.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.652  -1.492  -0.241  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.400   0.869  -0.048  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.725   2.655   0.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.697   1.630  -0.980  1.00  0.00           H  
HETATM   55  H   UNL     1       4.615   4.232  -2.404  1.00  0.00           H  
HETATM   56  H   UNL     1       3.314   5.076  -1.804  1.00  0.00           H  
HETATM   57  H   UNL     1       3.357   4.218   0.962  1.00  0.00           H  
HETATM   58  H   UNL     1       1.858   4.132   0.002  1.00  0.00           H  
CONECT    1   12    6    6    2                                       
CONECT    2    1   19   19   36                                       
CONECT    3    5    5   19    7                                       
CONECT    4    7   37   38   39                                       
CONECT    5    6    3    3   40                                       
CONECT    6   25    1    1    5                                       
CONECT    7    3    4   41                                            
CONECT    8   15   28   30   42                                       
CONECT    9   14   30                                                 
CONECT   10   11   11   24   43                                       
CONECT   11   23   10   10   44                                       
CONECT   12   29   29    1   45                                       
CONECT   13   14   25   46   47                                       
CONECT   14   17   13    9   48                                       
CONECT   15   17    8   49   50                                       
CONECT   16   18   18   22   34                                       
CONECT   17   15   14                                                 
CONECT   18   20   16   16   51                                       
CONECT   19    2    2    3                                            
CONECT   20   21   21   18   52                                       
CONECT   21   20   20   31   53                                       
CONECT   22   31   31   16   23                                       
CONECT   23   22   27   27   11                                       
CONECT   24   26   26   10   29                                       
CONECT   25   32   13    6                                            
CONECT   26   27   35   24   24                                       
CONECT   27   23   23   26   54                                       
CONECT   28    8   55   56                                            
CONECT   29   24   32   12   12                                       
CONECT   30    8    9   57   58                                       
CONECT   31   21   22   22                                            
CONECT   32   33   33   29   25                                       
CONECT   33   32   32                                                 
CONECT   34   16                                                      
CONECT   35   26                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
