COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.947  -4.498  -1.394  1.00  0.00           C  
HETATM    2  C   UNL     1       2.529  -3.245  -1.345  1.00  0.00           C  
HETATM    3  C   UNL     1       3.375  -2.916  -0.302  1.00  0.00           C  
HETATM    4  C   UNL     1       3.638  -3.840   0.692  1.00  0.00           C  
HETATM    5  C   UNL     1       3.055  -5.092   0.644  1.00  0.00           C  
HETATM    6  C   UNL     1       2.210  -5.422  -0.399  1.00  0.00           C  
HETATM    7  C   UNL     1       4.010  -1.551  -0.250  1.00  0.00           C  
HETATM    8  O   UNL     1       5.363  -1.671   0.197  1.00  0.00           O  
HETATM    9  C   UNL     1       6.080  -0.434   0.230  1.00  0.00           C  
HETATM   10  C   UNL     1       5.409   0.512   1.232  1.00  0.00           C  
HETATM   11  N   UNL     1       3.977   0.596   0.903  1.00  0.00           N  
HETATM   12  C   UNL     1       3.233  -0.661   0.728  1.00  0.00           C  
HETATM   13  C   UNL     1       3.365   1.789   0.768  1.00  0.00           C  
HETATM   14  O   UNL     1       3.975   2.815   1.000  1.00  0.00           O  
HETATM   15  C   UNL     1       1.954   1.850   0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       1.601   2.650  -0.758  1.00  0.00           C  
HETATM   17  C   UNL     1       0.308   2.725  -1.177  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.697   1.985  -0.498  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.316   1.153   0.646  1.00  0.00           C  
HETATM   20  C   UNL     1       0.989   1.103   1.027  1.00  0.00           C  
HETATM   21 CL   UNL     1       2.826   3.556  -1.589  1.00  0.00          Cl  
HETATM   22  N   UNL     1      -1.957   2.048  -0.892  1.00  0.00           N  
HETATM   23  S   UNL     1      -3.052   2.137   0.120  1.00  0.00           S  
HETATM   24  F   UNL     1      -2.414   2.313   1.587  1.00  0.00           F  
HETATM   25  O   UNL     1      -3.879   3.255  -0.175  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.960   0.752   0.074  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.747  -0.403  -0.803  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.812  -1.424  -0.484  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.618  -0.924   0.518  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.127   0.445   0.908  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.045  -2.621  -0.996  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.041  -3.375  -0.577  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.889  -2.938   0.423  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.677  -1.688   0.985  1.00  0.00           C  
HETATM   35  H   UNL     1       1.283  -4.753  -2.206  1.00  0.00           H  
HETATM   36  H   UNL     1       2.324  -2.523  -2.122  1.00  0.00           H  
HETATM   37  H   UNL     1       4.299  -3.583   1.507  1.00  0.00           H  
HETATM   38  H   UNL     1       3.260  -5.814   1.421  1.00  0.00           H  
HETATM   39  H   UNL     1       1.751  -6.399  -0.435  1.00  0.00           H  
HETATM   40  H   UNL     1       3.993  -1.102  -1.243  1.00  0.00           H  
HETATM   41  H   UNL     1       7.110  -0.619   0.537  1.00  0.00           H  
HETATM   42  H   UNL     1       6.071   0.019  -0.761  1.00  0.00           H  
HETATM   43  H   UNL     1       5.532   0.124   2.243  1.00  0.00           H  
HETATM   44  H   UNL     1       5.860   1.502   1.161  1.00  0.00           H  
HETATM   45  H   UNL     1       2.244  -0.449   0.323  1.00  0.00           H  
HETATM   46  H   UNL     1       3.137  -1.168   1.688  1.00  0.00           H  
HETATM   47  H   UNL     1       0.047   3.345  -2.022  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.063   0.581   1.177  1.00  0.00           H  
HETATM   49  H   UNL     1       1.281   0.492   1.868  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.829  -0.096  -1.845  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.760  -0.828  -0.620  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.840   0.445   1.960  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.909   1.185   0.737  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.197  -4.347  -1.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.703  -3.560   0.762  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.323  -1.318   1.768  1.00  0.00           H  
CONECT    1    2    6    6   35                                       
CONECT    2    3    3    1   36                                       
CONECT    3    7    2    2    4                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    1    1    5   39                                       
CONECT    7    8   12    3   40                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   10   13   12                                            
CONECT   12   11    7   45   46                                       
CONECT   13   15   11   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   16   20   13                                       
CONECT   16   17   21   15   15                                       
CONECT   17   18   18   16   47                                       
CONECT   18   22   17   17   19                                       
CONECT   19   18   20   20   48                                       
CONECT   20   19   19   15   49                                       
CONECT   21   16                                                      
CONECT   22   23   23   18                                            
CONECT   23   26   25   25   24                                       
CONECT   23   22   22                                                 
CONECT   24   23                                                      
CONECT   25   23   23                                                 
CONECT   26   27   30   23                                            
CONECT   27   28   26   50   51                                       
CONECT   28   31   27   29   29                                       
CONECT   29   28   28   34   30                                       
CONECT   30   29   26   52   53                                       
CONECT   31   32   32   28                                            
CONECT   32   31   31   33   54                                       
CONECT   33   32   34   34   55                                       
CONECT   34   33   33   29   56                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
