COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.081   2.465   0.430  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.470   0.996  -0.613  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.853  -0.469  -1.654  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.836  -0.992  -0.391  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.122  -1.262   0.908  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.663  -1.522   0.634  1.00  0.00           C  
HETATM    7  C   UNL     1       0.236  -0.472   0.625  1.00  0.00           C  
HETATM    8  C   UNL     1       1.582  -0.714   0.372  1.00  0.00           C  
HETATM    9  C   UNL     1       2.019  -2.009   0.130  1.00  0.00           C  
HETATM   10  C   UNL     1       1.115  -3.054   0.140  1.00  0.00           C  
HETATM   11  C   UNL     1       3.913   0.090   0.096  1.00  0.00           C  
HETATM   12  C   UNL     1       4.687   1.409   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1       8.344   0.629   0.664  1.00  0.00           C  
HETATM   14  C   UNL     1       6.622   1.179  -1.428  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.106   3.232   0.830  1.00  0.00           N  
HETATM   16  N   UNL     1      -9.381   2.791   0.734  1.00  0.00           N  
HETATM   17  N   UNL     1      -7.809   1.332  -0.300  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.335  -0.205  -1.376  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.159  -0.732  -0.391  1.00  0.00           N  
HETATM   20  O   UNL     1      -2.221  -1.008  -1.436  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.223  -2.813   0.397  1.00  0.00           C  
HETATM   22 CL   UNL     1      -1.353  -4.130   0.415  1.00  0.00          Cl  
HETATM   23  F   UNL     1      -0.192   0.788   0.861  1.00  0.00           F  
HETATM   24  N   UNL     1       2.495   0.347   0.362  1.00  0.00           N  
HETATM   25  C   UNL     1       6.145   1.145  -0.131  1.00  0.00           C  
HETATM   26  C   UNL     1       7.006   0.871   0.915  1.00  0.00           C  
HETATM   27  C   UNL     1       8.821   0.661  -0.634  1.00  0.00           C  
HETATM   28  C   UNL     1       7.960   0.937  -1.680  1.00  0.00           C  
HETATM   29  F   UNL     1       4.181   2.282  -0.827  1.00  0.00           F  
HETATM   30  F   UNL     1       4.548   1.987   1.409  1.00  0.00           F  
HETATM   31  H   UNL     1      -4.755  -1.334  -2.310  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.413   0.404  -2.136  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.220  -0.397   1.563  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.562  -2.135   1.390  1.00  0.00           H  
HETATM   35  H   UNL     1       3.063  -2.200  -0.067  1.00  0.00           H  
HETATM   36  H   UNL     1       1.455  -4.062  -0.049  1.00  0.00           H  
HETATM   37  H   UNL     1       4.022  -0.360  -0.891  1.00  0.00           H  
HETATM   38  H   UNL     1       4.307  -0.589   0.851  1.00  0.00           H  
HETATM   39  H   UNL     1       9.018   0.419   1.481  1.00  0.00           H  
HETATM   40  H   UNL     1       5.950   1.393  -2.246  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.188   3.002   0.616  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.573   3.593   1.246  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.107   2.220   0.436  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.535   0.764  -0.601  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.753  -1.040  -0.815  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.868  -0.097  -2.320  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.650  -0.718   0.445  1.00  0.00           H  
HETATM   48  H   UNL     1       2.190   1.252   0.531  1.00  0.00           H  
HETATM   49  H   UNL     1       6.634   0.845   1.928  1.00  0.00           H  
HETATM   50  H   UNL     1       9.866   0.473  -0.830  1.00  0.00           H  
HETATM   51  H   UNL     1       8.332   0.963  -2.693  1.00  0.00           H  
CONECT    1   17   16   15   15                                       
CONECT    2   18   17                                                 
CONECT    3   19   18   31   32                                       
CONECT    4   20   20    5   19                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5   21   21    7                                       
CONECT    7    6   23    8    8                                       
CONECT    8    7    7    9   24                                       
CONECT    9   10   10    8   35                                       
CONECT   10   21    9    9   36                                       
CONECT   11   24   12   37   38                                       
CONECT   12   11   25   30   29                                       
CONECT   13   26   26   27   39                                       
CONECT   14   25   25   28   40                                       
CONECT   15    1    1   41                                            
CONECT   16    1   42   43                                            
CONECT   17    2    1   44                                            
CONECT   18    3    2   45   46                                       
CONECT   19    4    3   47                                            
CONECT   20    4    4                                                 
CONECT   21   22    6    6   10                                       
CONECT   22   21                                                      
CONECT   23    7                                                      
CONECT   24    8   11   48                                            
CONECT   25   26   12   14   14                                       
CONECT   26   13   13   25   49                                       
CONECT   27   13   28   28   50                                       
CONECT   28   27   27   14   51                                       
CONECT   29   12                                                      
CONECT   30   12                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
