COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.745   0.601   0.041  1.00  0.00           C  
HETATM    2  C   UNL     1       0.360   1.577   0.474  1.00  0.00           C  
HETATM    3  C   UNL     1       2.216   0.281  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       2.338   2.690   0.075  1.00  0.00           C  
HETATM    5  N   UNL     1       3.304   3.650  -0.091  1.00  0.00           N  
HETATM    6  C   UNL     1       4.475   3.007  -0.371  1.00  0.00           C  
HETATM    7  C   UNL     1       3.114   5.099   0.013  1.00  0.00           C  
HETATM    8  C   UNL     1       2.044  -2.130   0.036  1.00  0.00           C  
HETATM    9  C   UNL     1       2.513  -3.451  -0.078  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.924  -4.010   0.883  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.782  -1.467   0.422  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.126   1.197  -0.288  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.090   2.635   0.279  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.573   2.937   0.362  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.990   1.636   0.779  1.00  0.00           N  
HETATM   16  N   UNL     1       0.924   0.390   0.291  1.00  0.00           N  
HETATM   17  C   UNL     1       2.980   1.456  -0.117  1.00  0.00           C  
HETATM   18  N   UNL     1       1.042   2.706   0.371  1.00  0.00           N  
HETATM   19  N   UNL     1       4.283   1.721  -0.385  1.00  0.00           N  
HETATM   20  N   UNL     1       2.795  -0.960  -0.192  1.00  0.00           N  
HETATM   21  C   UNL     1       0.738  -2.183   0.399  1.00  0.00           C  
HETATM   22  N   UNL     1       0.395  -3.494   0.510  1.00  0.00           N  
HETATM   23  N   UNL     1       1.525  -4.264   0.206  1.00  0.00           N  
HETATM   24  O   UNL     1       3.775  -3.822  -0.425  1.00  0.00           O  
HETATM   25  C   UNL     1       4.047  -5.224  -0.483  1.00  0.00           C  
HETATM   26  F   UNL     1      -3.729   3.526  -0.590  1.00  0.00           F  
HETATM   27  N   UNL     1      -4.184   0.421   0.363  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.694  -0.667  -0.248  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.179  -2.640  -0.477  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.277  -1.003  -1.336  1.00  0.00           O  
HETATM   31  H   UNL     1      -1.863  -0.287   0.662  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.224   0.342  -0.881  1.00  0.00           H  
HETATM   33  H   UNL     1       5.421   3.495  -0.553  1.00  0.00           H  
HETATM   34  H   UNL     1       3.282   5.415   1.042  1.00  0.00           H  
HETATM   35  H   UNL     1       3.821   5.606  -0.643  1.00  0.00           H  
HETATM   36  H   UNL     1       2.096   5.353  -0.283  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.527  -4.150  -0.014  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.809  -4.965   1.396  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.419  -3.300   1.546  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.418  -1.847   1.376  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.649  -0.829   0.591  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.282   1.219  -1.367  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.545   2.671   1.269  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.187   3.237  -0.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.374   3.705   1.109  1.00  0.00           H  
HETATM   46  H   UNL     1       3.718  -1.025  -0.482  1.00  0.00           H  
HETATM   47  H   UNL     1       0.089  -1.337   0.569  1.00  0.00           H  
HETATM   48  H   UNL     1       5.087  -5.381  -0.771  1.00  0.00           H  
HETATM   49  H   UNL     1       3.869  -5.669   0.496  1.00  0.00           H  
HETATM   50  H   UNL     1       3.392  -5.690  -1.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.517   0.689   1.233  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.543  -2.260  -1.431  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.312  -3.278  -0.646  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.966  -3.218   0.008  1.00  0.00           H  
CONECT    1   15   12   31   32                                       
CONECT    2   18   18   16   15                                       
CONECT    3   17   20   16   16                                       
CONECT    4    5   17   17   18                                       
CONECT    5    7    6    4                                            
CONECT    6    5   19   19   33                                       
CONECT    7    5   34   35   36                                       
CONECT    8   20    9   21   21                                       
CONECT    9   24    8   23   23                                       
CONECT   10   22   37   38   39                                       
CONECT   11   28   29   40   41                                       
CONECT   12   13    1   27   42                                       
CONECT   13   26   14   12   43                                       
CONECT   14   15   13   44   45                                       
CONECT   15    2   14    1                                            
CONECT   16    3    3    2                                            
CONECT   17   19    4    4    3                                       
CONECT   18    4    2    2                                            
CONECT   19    6    6   17                                            
CONECT   20    3    8   46                                            
CONECT   21    8    8   22   47                                       
CONECT   22   23   21   10                                            
CONECT   23    9    9   22                                            
CONECT   24   25    9                                                 
CONECT   25   24   48   49   50                                       
CONECT   26   13                                                      
CONECT   27   12   28   51                                            
CONECT   28   27   30   30   11                                       
CONECT   29   11   52   53   54                                       
CONECT   30   28   28                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
