COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.184  -0.040   2.898  1.00  0.00           C  
HETATM    2  C   UNL     1       3.196   0.622   1.544  1.00  0.00           C  
HETATM    3  C   UNL     1       2.187   0.359   0.633  1.00  0.00           C  
HETATM    4  C   UNL     1       0.152  -0.636   0.083  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.052  -1.816  -0.572  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.878  -0.939  -1.671  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.669   1.344  -1.346  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.837   1.275  -0.396  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.839   2.017   0.749  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.938   1.936   1.617  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.981   1.127   1.313  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.066  -1.933  -1.434  1.00  0.00           N  
HETATM   13  O   UNL     1       1.183  -0.496   0.959  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.582   1.515   0.383  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.729   0.440  -0.175  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.938   0.450  -0.683  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.737   0.252  -1.054  1.00  0.00           N  
HETATM   18  C   UNL     1       3.219   1.841  -0.953  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.976   0.389   0.172  1.00  0.00           N  
HETATM   20  C   UNL     1       0.039  -4.204   0.090  1.00  0.00           C  
HETATM   21  C   UNL     1       2.200   0.970  -0.614  1.00  0.00           C  
HETATM   22  C   UNL     1       0.866  -2.986  -0.324  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.950  -0.215  -1.706  1.00  0.00           O  
HETATM   24  C   UNL     1       3.225   2.499  -2.308  1.00  0.00           C  
HETATM   25  N   UNL     1       6.095   2.010   2.889  1.00  0.00           N  
HETATM   26  C   UNL     1       4.227   2.114  -0.051  1.00  0.00           C  
HETATM   27  C   UNL     1       4.222   1.505   1.206  1.00  0.00           C  
HETATM   28  C   UNL     1       5.266   1.786   2.145  1.00  0.00           C  
HETATM   29  F   UNL     1       3.395   1.526  -3.299  1.00  0.00           F  
HETATM   30  F   UNL     1       2.010   3.163  -2.510  1.00  0.00           F  
HETATM   31  F   UNL     1       1.574  -3.279  -1.495  1.00  0.00           F  
HETATM   32  F   UNL     1       0.897  -5.257   0.426  1.00  0.00           F  
HETATM   33  F   UNL     1      -0.752  -3.876   1.196  1.00  0.00           F  
HETATM   34  F   UNL     1       1.766  -2.664   0.697  1.00  0.00           F  
HETATM   35  F   UNL     1      -4.956   2.664   2.755  1.00  0.00           F  
HETATM   36  H   UNL     1       2.631   0.583   3.601  1.00  0.00           H  
HETATM   37  H   UNL     1       2.703  -1.015   2.821  1.00  0.00           H  
HETATM   38  H   UNL     1       4.207  -0.165   3.250  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.683  -1.074  -2.379  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.029   1.251  -2.371  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.159   2.300  -1.225  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.003   2.660   0.984  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.825   1.067   1.985  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.732  -0.183  -0.032  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.601  -4.507  -0.738  1.00  0.00           H  
HETATM   46  H   UNL     1       1.411   0.763  -1.323  1.00  0.00           H  
HETATM   47  H   UNL     1       4.044   3.217  -2.360  1.00  0.00           H  
HETATM   48  H   UNL     1       5.018   2.799  -0.317  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1   27   27                                       
CONECT    3   13   21   21    2                                       
CONECT    4    5    5   15   13                                       
CONECT    5   12   22    4    4                                       
CONECT    6   12   12   17   39                                       
CONECT    7    8   17   40   41                                       
CONECT    8   16    7    9    9                                       
CONECT    9    8    8   10   42                                       
CONECT   10   11   11    9   35                                       
CONECT   11   19   10   10   43                                       
CONECT   12    6    6    5                                            
CONECT   13    4    3                                                 
CONECT   14   15   15                                                 
CONECT   15   17    4   14   14                                       
CONECT   16   23   23   19    8                                       
CONECT   17    6    7   15                                            
CONECT   18   21   24   26   26                                       
CONECT   19   16   11   44                                            
CONECT   20   32   22   33   45                                       
CONECT   21    3    3   18   46                                       
CONECT   22   31   20    5   34                                       
CONECT   23   16   16                                                 
CONECT   24   30   29   18   47                                       
CONECT   25   28   28   28                                            
CONECT   26   18   18   27   48                                       
CONECT   27    2    2   26   28                                       
CONECT   28   27   25   25   25                                       
CONECT   29   24                                                      
CONECT   30   24                                                      
CONECT   31   22                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   22                                                      
CONECT   35   10                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
