COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.923  -1.156  -0.247  1.00  0.00           C  
HETATM    2  C   UNL     1       8.277  -1.357   0.035  1.00  0.00           C  
HETATM    3  C   UNL     1       4.200  -0.180  -0.232  1.00  0.00           C  
HETATM    4  C   UNL     1       3.641  -1.635  -1.929  1.00  0.00           C  
HETATM    5  C   UNL     1       0.323   1.421  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.343  -0.077  -1.768  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.254   1.993  -0.708  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.473   0.843  -0.845  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.979  -1.065   0.511  1.00  0.00           C  
HETATM   10  C   UNL     1       7.449   1.232   2.413  1.00  0.00           C  
HETATM   11  N   UNL     1       7.496   0.205   1.370  1.00  0.00           N  
HETATM   12  C   UNL     1       6.463  -0.185   0.589  1.00  0.00           C  
HETATM   13  N   UNL     1       8.621  -0.545   1.002  1.00  0.00           N  
HETATM   14  N   UNL     1       5.163   0.315   0.633  1.00  0.00           N  
HETATM   15  N   UNL     1       4.533  -1.132  -1.091  1.00  0.00           N  
HETATM   16  C   UNL     1       2.343  -1.154  -1.904  1.00  0.00           C  
HETATM   17  C   UNL     1       2.023  -0.147  -0.991  1.00  0.00           C  
HETATM   18  N   UNL     1       2.971   0.308  -0.175  1.00  0.00           N  
HETATM   19  C   UNL     1       0.646   0.402  -0.925  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.936   1.909   0.045  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.900   1.439  -0.788  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.633   0.473  -1.686  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.517   0.063  -2.421  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.279   3.133   0.312  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.027   2.609   1.618  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.214   0.913  -0.279  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.356  -0.144  -0.449  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.715  -0.998   1.075  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.834  -0.006   0.681  1.00  0.00           C  
HETATM   30  F   UNL     1      -4.345  -1.898   2.013  1.00  0.00           F  
HETATM   31 CL   UNL     1      -7.089  -2.303   1.009  1.00  0.00          Cl  
HETATM   32  H   UNL     1       6.345  -1.677  -0.996  1.00  0.00           H  
HETATM   33  H   UNL     1       8.929  -2.061  -0.461  1.00  0.00           H  
HETATM   34  H   UNL     1       3.922  -2.414  -2.622  1.00  0.00           H  
HETATM   35  H   UNL     1       1.078   1.805   0.667  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.122  -0.852  -2.486  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.549   2.374  -1.686  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.768   1.562  -1.595  1.00  0.00           H  
HETATM   39  H   UNL     1       7.183   0.771   3.365  1.00  0.00           H  
HETATM   40  H   UNL     1       8.426   1.707   2.500  1.00  0.00           H  
HETATM   41  H   UNL     1       6.702   1.981   2.152  1.00  0.00           H  
HETATM   42  H   UNL     1       4.932   1.010   1.270  1.00  0.00           H  
HETATM   43  H   UNL     1       1.594  -1.549  -2.575  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.179   2.685   0.756  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.511   3.864   0.059  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.257   3.613   0.296  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.028   3.277   2.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.341  -0.194  -0.889  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.849   0.046   1.120  1.00  0.00           H  
CONECT    1   12   12    2   32                                       
CONECT    2   13   13    1   33                                       
CONECT    3   14   15   15   18                                       
CONECT    4   15   16   16   34                                       
CONECT    5   19   20   20   35                                       
CONECT    6   19   19   22   36                                       
CONECT    7   21   26   24   37                                       
CONECT    8   26   26   27   38                                       
CONECT    9   28   31   27   27                                       
CONECT   10   11   39   40   41                                       
CONECT   11   10   12   13                                            
CONECT   12   11   14    1    1                                       
CONECT   13   11    2    2                                            
CONECT   14   12    3   42                                            
CONECT   15    3    3    4                                            
CONECT   16    4    4   17   43                                       
CONECT   17   18   18   16   19                                       
CONECT   18    3   17   17                                            
CONECT   19   17    5    6    6                                       
CONECT   20    5    5   21   44                                       
CONECT   21   20   22    7                                            
CONECT   22    6   21   23   23                                       
CONECT   23   22   22                                                 
CONECT   24    7   25   45   46                                       
CONECT   25   24   47                                                 
CONECT   26   29    7    8    8                                       
CONECT   27    9    9    8   48                                       
CONECT   28   30   29   29    9                                       
CONECT   29   28   28   26   49                                       
CONECT   30   28                                                      
CONECT   31    9                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
