COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.026   0.802   0.223  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.021  -0.090  -0.196  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.069  -1.981  -0.736  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.309  -1.037  -1.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.571  -0.504   1.623  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.869   0.840   1.505  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.507   0.971  -0.462  1.00  0.00           C  
HETATM    8  C   UNL     1       7.808  -1.484  -2.272  1.00  0.00           C  
HETATM    9  C   UNL     1       7.101  -0.699  -1.197  1.00  0.00           C  
HETATM   10  C   UNL     1       7.144   0.688  -1.034  1.00  0.00           C  
HETATM   11  C   UNL     1       6.377   1.005   0.045  1.00  0.00           C  
HETATM   12  N   UNL     1       6.153   2.284   0.548  1.00  0.00           N  
HETATM   13  N   UNL     1       5.870  -0.147   0.538  1.00  0.00           N  
HETATM   14  C   UNL     1       4.987  -0.273   1.700  1.00  0.00           C  
HETATM   15  C   UNL     1       3.551  -0.181   1.252  1.00  0.00           C  
HETATM   16  N   UNL     1       2.798  -1.172   0.899  1.00  0.00           N  
HETATM   17  N   UNL     1       1.613  -0.919   0.550  1.00  0.00           N  
HETATM   18  C   UNL     1       1.230   0.326   0.569  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.890  -1.484  -0.300  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.920  -0.946  -0.900  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.213  -0.376  -0.349  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.740  -1.113   0.698  1.00  0.00           C  
HETATM   23  F   UNL     1      -5.444  -2.426   0.816  1.00  0.00           F  
HETATM   24  C   UNL     1      -6.338   1.578   0.464  1.00  0.00           C  
HETATM   25 CL   UNL     1      -4.846   1.897  -1.773  1.00  0.00          Cl  
HETATM   26  N   UNL     1      -2.243   0.231  -0.554  1.00  0.00           N  
HETATM   27  S   UNL     1       2.596   1.297   1.123  1.00  0.00           S  
HETATM   28  N   UNL     1       6.335  -1.199  -0.262  1.00  0.00           N  
HETATM   29  H   UNL     1      -0.214   1.752   0.266  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.292  -3.022  -0.918  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.409  -0.535  -2.319  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.588  -2.085  -1.462  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.983  -1.079   2.440  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.517   1.315   2.227  1.00  0.00           H  
HETATM   35  H   UNL     1       8.799  -1.771  -1.919  1.00  0.00           H  
HETATM   36  H   UNL     1       7.233  -2.379  -2.507  1.00  0.00           H  
HETATM   37  H   UNL     1       7.906  -0.869  -3.167  1.00  0.00           H  
HETATM   38  H   UNL     1       7.691   1.385  -1.653  1.00  0.00           H  
HETATM   39  H   UNL     1       6.563   3.052   0.121  1.00  0.00           H  
HETATM   40  H   UNL     1       5.586   2.407   1.325  1.00  0.00           H  
HETATM   41  H   UNL     1       5.156  -1.236   2.182  1.00  0.00           H  
HETATM   42  H   UNL     1       5.199   0.529   2.407  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.003  -2.058  -0.073  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.572   2.628   0.372  1.00  0.00           H  
CONECT    1   18    2   29                                            
CONECT    2    1   26   26   19                                       
CONECT    3   19   19   20   30                                       
CONECT    4   20   21   31   32                                       
CONECT    5    6   22   22   33                                       
CONECT    6   24   24    5   34                                       
CONECT    7   24   25   21   21                                       
CONECT    8    9   35   36   37                                       
CONECT    9    8   28   28   10                                       
CONECT   10    9   11   11   38                                       
CONECT   11   13   10   10   12                                       
CONECT   12   11   39   40                                            
CONECT   13   28   14   11                                            
CONECT   14   13   15   41   42                                       
CONECT   15   16   16   14   27                                       
CONECT   16   17   15   15                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   27    1                                       
CONECT   19    2    3    3   43                                       
CONECT   20   26    3    4                                            
CONECT   21    7    7   22    4                                       
CONECT   22    5    5   21   23                                       
CONECT   23   22                                                      
CONECT   24    6    6    7   44                                       
CONECT   25    7                                                      
CONECT   26    2    2   20                                            
CONECT   27   15   18                                                 
CONECT   28    9    9   13                                            
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   19                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
