COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.939   0.733   0.129  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.660   2.647  -1.793  1.00  0.00           N  
HETATM    3  C   UNL     1       1.014  -0.284   1.281  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.014   0.618   0.649  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.212   0.985  -0.177  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.796   1.892  -1.129  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.956   2.587  -1.595  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.866   1.602  -0.407  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.102  -0.026   1.033  1.00  0.00           C  
HETATM   10  C   UNL     1       1.217  -1.497   0.413  1.00  0.00           C  
HETATM   11  C   UNL     1       0.711  -3.760  -0.175  1.00  0.00           C  
HETATM   12  C   UNL     1       2.141  -1.439  -0.637  1.00  0.00           C  
HETATM   13  C   UNL     1       2.881  -0.180  -0.862  1.00  0.00           C  
HETATM   14  O   UNL     1       3.429   0.031  -1.926  1.00  0.00           O  
HETATM   15  C   UNL     1       3.619   2.008  -0.107  1.00  0.00           C  
HETATM   16  C   UNL     1       5.043   1.916   0.376  1.00  0.00           C  
HETATM   17  O   UNL     1       5.477   0.859   0.786  1.00  0.00           O  
HETATM   18  N   UNL     1       5.835   3.006   0.354  1.00  0.00           N  
HETATM   19  C   UNL     1       7.220   2.916   0.824  1.00  0.00           C  
HETATM   20  C   UNL     1       2.340  -2.551  -1.452  1.00  0.00           C  
HETATM   21  C   UNL     1       1.623  -3.707  -1.216  1.00  0.00           C  
HETATM   22 CL   UNL     1      -0.185  -5.218   0.113  1.00  0.00          Cl  
HETATM   23  C   UNL     1       0.513  -2.658   0.642  1.00  0.00           C  
HETATM   24  C   UNL     1       2.331   0.474   1.431  1.00  0.00           C  
HETATM   25  O   UNL     1       0.305   1.724   0.264  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.286   0.198   0.512  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.595   0.870   0.084  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.447  -0.094   1.241  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.326   0.719   0.524  1.00  0.00           C  
HETATM   30  F   UNL     1      -7.654   0.628   0.756  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.486   1.696  -0.648  1.00  0.00           C  
HETATM   32  H   UNL     1       0.663  -0.598   2.264  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.741   1.990  -1.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.617   3.225  -2.163  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.557   2.224  -0.956  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.432  -0.660   1.596  1.00  0.00           H  
HETATM   37  H   UNL     1       3.611   2.232  -1.174  1.00  0.00           H  
HETATM   38  H   UNL     1       3.103   2.801   0.434  1.00  0.00           H  
HETATM   39  H   UNL     1       5.488   3.851   0.027  1.00  0.00           H  
HETATM   40  H   UNL     1       7.699   3.890   0.731  1.00  0.00           H  
HETATM   41  H   UNL     1       7.229   2.605   1.869  1.00  0.00           H  
HETATM   42  H   UNL     1       7.761   2.185   0.223  1.00  0.00           H  
HETATM   43  H   UNL     1       3.052  -2.509  -2.263  1.00  0.00           H  
HETATM   44  H   UNL     1       1.771  -4.570  -1.847  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.197  -2.708   1.455  1.00  0.00           H  
HETATM   46  H   UNL     1       3.018  -0.118   2.036  1.00  0.00           H  
HETATM   47  H   UNL     1       2.143   1.423   1.933  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.560  -0.652   0.891  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.838  -0.785   1.973  1.00  0.00           H  
CONECT    1   24   15   13                                            
CONECT    2    7    6    6                                            
CONECT    3    4   24   10   32                                       
CONECT    4   26    3   25   25                                       
CONECT    5   27   27    6   26                                       
CONECT    6    2    2    5   33                                       
CONECT    7   31   31    2   34                                       
CONECT    8   29   29   31   35                                       
CONECT    9   28   28   27   36                                       
CONECT   10    3   23   23   12                                       
CONECT   11   23   22   21   21                                       
CONECT   12   10   13   20   20                                       
CONECT   13    1   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    1   16   37   38                                       
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   39                                            
CONECT   19   18   40   41   42                                       
CONECT   20   12   12   21   43                                       
CONECT   21   11   11   20   44                                       
CONECT   22   11                                                      
CONECT   23   10   10   11   45                                       
CONECT   24    3    1   46   47                                       
CONECT   25    4    4                                                 
CONECT   26    5    4   48                                            
CONECT   27   31    9    5    5                                       
CONECT   28   29    9    9   49                                       
CONECT   29   30    8    8   28                                       
CONECT   30   29                                                      
CONECT   31    8    7    7   27                                       
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
