COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.432   2.504  -0.095  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.558   1.257  -0.673  1.00  0.00           C  
HETATM    3  C   UNL     1       4.898  -2.177   2.865  1.00  0.00           C  
HETATM    4  C   UNL     1       2.569  -1.097   0.076  1.00  0.00           C  
HETATM    5  C   UNL     1       3.643  -1.770   0.817  1.00  0.00           C  
HETATM    6  C   UNL     1       2.651   0.101  -0.615  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.837  -1.114  -0.909  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.789  -0.738  -1.217  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.618  -4.022   0.482  1.00  0.00           C  
HETATM   10  C   UNL     1       1.178  -1.558  -0.095  1.00  0.00           C  
HETATM   11  C   UNL     1       0.468  -2.672   0.344  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.849  -2.816   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1       0.550  -0.580  -0.882  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.600   1.690   1.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.843  -4.169   1.988  1.00  0.00           C  
HETATM   16  O   UNL     1       1.457   0.378  -1.164  1.00  0.00           O  
HETATM   17  F   UNL     1      -5.259   3.507  -0.463  1.00  0.00           F  
HETATM   18  C   UNL     1      -3.451   2.728   0.876  1.00  0.00           C  
HETATM   19  B   UNL     1      -3.305   4.146   1.533  1.00  0.00           B  
HETATM   20  O   UNL     1      -2.308   4.373   2.519  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.171   5.202   1.143  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.719   0.449   0.676  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.703   0.223  -0.291  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.950  -1.650  -1.370  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.698  -2.858  -1.861  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.423  -3.125  -1.727  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.833  -2.010  -1.111  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.483  -1.852  -0.772  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.849  -5.085   1.269  1.00  0.00           C  
HETATM   30  N   UNL     1       3.827  -1.505   2.126  1.00  0.00           N  
HETATM   31  O   UNL     1       4.367  -2.567   0.250  1.00  0.00           O  
HETATM   32  C   UNL     1       3.858   0.940  -0.729  1.00  0.00           C  
HETATM   33  C   UNL     1       5.049   0.542  -0.115  1.00  0.00           C  
HETATM   34  C   UNL     1       6.174   1.330  -0.226  1.00  0.00           C  
HETATM   35  C   UNL     1       3.817   2.133  -1.456  1.00  0.00           C  
HETATM   36  C   UNL     1       4.949   2.913  -1.559  1.00  0.00           C  
HETATM   37  C   UNL     1       6.126   2.516  -0.943  1.00  0.00           C  
HETATM   38  F   UNL     1       7.232   3.284  -1.048  1.00  0.00           F  
HETATM   39  H   UNL     1      -5.318   1.082  -1.419  1.00  0.00           H  
HETATM   40  H   UNL     1       4.892  -1.838   3.901  1.00  0.00           H  
HETATM   41  H   UNL     1       4.741  -3.255   2.834  1.00  0.00           H  
HETATM   42  H   UNL     1       5.859  -1.936   2.410  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.287   0.005  -1.821  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.412  -4.364  -0.182  1.00  0.00           H  
HETATM   45  H   UNL     1       0.957  -3.422   0.949  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.839   1.864   2.007  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.435  -3.393   2.636  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.786  -4.608   2.316  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.296   5.275   2.865  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.005   6.036   1.602  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.052  -0.349   0.965  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.431  -3.518  -2.301  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.138  -6.126   1.125  1.00  0.00           H  
HETATM   54  H   UNL     1       0.213  -4.912   1.445  1.00  0.00           H  
HETATM   55  H   UNL     1       3.249  -0.870   2.578  1.00  0.00           H  
HETATM   56  H   UNL     1       5.088  -0.381   0.444  1.00  0.00           H  
HETATM   57  H   UNL     1       7.095   1.025   0.248  1.00  0.00           H  
HETATM   58  H   UNL     1       2.901   2.443  -1.936  1.00  0.00           H  
HETATM   59  H   UNL     1       4.918   3.835  -2.121  1.00  0.00           H  
CONECT    1   18   17    2    2                                       
CONECT    2    1    1   23   39                                       
CONECT    3   30   40   41   42                                       
CONECT    4    5   10    6    6                                       
CONECT    5   30   31   31    4                                       
CONECT    6    4    4   32   16                                       
CONECT    7   23   27   24   24                                       
CONECT    8   13   13   28   43                                       
CONECT    9   29   15   12   44                                       
CONECT   10   11   11    4   13                                       
CONECT   11   10   10   12   45                                       
CONECT   12   11    9   28   28                                       
CONECT   13   10   16    8    8                                       
CONECT   14   18   18   22   46                                       
CONECT   15   29    9   47   48                                       
CONECT   16    6   13                                                 
CONECT   17    1                                                      
CONECT   18   19   14   14    1                                       
CONECT   19   21   20   18                                            
CONECT   20   19   49                                                 
CONECT   21   19   50                                                 
CONECT   22   14   23   23   51                                       
CONECT   23   22   22    2    7                                       
CONECT   24    7    7   25                                            
CONECT   25   24   26   26   52                                       
CONECT   26   27   25   25                                            
CONECT   27   28    7   26                                            
CONECT   28   12   12    8   27                                       
CONECT   29   15    9   53   54                                       
CONECT   30    3    5   55                                            
CONECT   31    5    5                                                 
CONECT   32   33    6   35   35                                       
CONECT   33   34   34   32   56                                       
CONECT   34   33   33   37   57                                       
CONECT   35   32   32   36   58                                       
CONECT   36   37   37   35   59                                       
CONECT   37   34   38   36   36                                       
CONECT   38   37                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
