COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.996  -0.350  -0.580  1.00  0.00           C  
HETATM    2  C   UNL     1       3.979  -1.741  -0.613  1.00  0.00           C  
HETATM    3  C   UNL     1       2.811  -2.392  -0.967  1.00  0.00           C  
HETATM    4  C   UNL     1       1.695  -1.627  -1.278  1.00  0.00           C  
HETATM    5  C   UNL     1       1.782  -0.250  -1.225  1.00  0.00           C  
HETATM    6  C   UNL     1       7.438  -2.202   0.808  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.284   0.813   0.811  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.439  -0.544   0.165  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.706  -0.098   0.377  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.789  -0.929   0.120  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.076  -0.471   0.337  1.00  0.00           C  
HETATM   12  C   UNL     1       6.254  -0.396   0.251  1.00  0.00           C  
HETATM   13  N   UNL     1       6.322  -1.689   0.323  1.00  0.00           N  
HETATM   14  S   UNL     1       7.701   0.302   0.835  1.00  0.00           S  
HETATM   15  C   UNL     1       8.355  -1.301   1.163  1.00  0.00           C  
HETATM   16  N   UNL     1       5.165   0.317  -0.230  1.00  0.00           N  
HETATM   17  C   UNL     1       0.574   0.585  -1.561  1.00  0.00           C  
HETATM   18  C   UNL     1       0.233   1.490  -0.375  1.00  0.00           C  
HETATM   19  C   UNL     1       1.351   2.476  -0.158  1.00  0.00           C  
HETATM   20  O   UNL     1       1.688   3.334  -1.134  1.00  0.00           O  
HETATM   21  O   UNL     1       1.945   2.495   0.894  1.00  0.00           O  
HETATM   22  C   UNL     1       0.054   0.637   0.882  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.081  -0.365   0.662  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.379   0.391   0.370  1.00  0.00           C  
HETATM   25  F   UNL     1      -5.585  -2.182  -0.343  1.00  0.00           F  
HETATM   26 CL   UNL     1      -8.432  -1.508   0.017  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -6.207   1.640   1.068  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.919   1.187   0.852  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.200   1.245  -0.887  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.065   2.246  -0.667  1.00  0.00           C  
HETATM   31  N   UNL     1       2.910   0.344  -0.883  1.00  0.00           N  
HETATM   32  H   UNL     1       4.866  -2.305  -0.365  1.00  0.00           H  
HETATM   33  H   UNL     1       2.769  -3.470  -1.002  1.00  0.00           H  
HETATM   34  H   UNL     1       0.768  -2.104  -1.559  1.00  0.00           H  
HETATM   35  H   UNL     1       7.593  -3.266   0.914  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.290   1.170   0.976  1.00  0.00           H  
HETATM   37  H   UNL     1       9.328  -1.516   1.578  1.00  0.00           H  
HETATM   38  H   UNL     1       5.220   1.281  -0.323  1.00  0.00           H  
HETATM   39  H   UNL     1       0.788   1.199  -2.436  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.272  -0.068  -1.774  1.00  0.00           H  
HETATM   41  H   UNL     1       2.412   3.948  -0.948  1.00  0.00           H  
HETATM   42  H   UNL     1       0.979   0.098   1.090  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.188   1.281   1.727  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.838  -1.009  -0.183  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.208  -0.973   1.558  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.621   1.036   1.215  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.372   2.641   1.437  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.078   1.835   1.053  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.957   0.600  -1.732  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.125   1.783  -1.095  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.307   2.891   0.178  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.938   2.854  -1.562  1.00  0.00           H  
CONECT    1   16   31   31    2                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    4   33                                       
CONECT    4    5    5    3   34                                       
CONECT    5   31   17    4    4                                       
CONECT    6   13   15   15   35                                       
CONECT    7   27   27   11   36                                       
CONECT    8    9   24                                                 
CONECT    9   28   28   10    8                                       
CONECT   10   11   11    9   25                                       
CONECT   11    7   26   10   10                                       
CONECT   12   13   13   14   16                                       
CONECT   13    6   12   12                                            
CONECT   14   15   12                                                 
CONECT   15    6    6   14   37                                       
CONECT   16   12    1   38                                            
CONECT   17    5   18   39   40                                       
CONECT   18   30   22   17   19                                       
CONECT   19   21   21   18   20                                       
CONECT   20   19   41                                                 
CONECT   21   19   19                                                 
CONECT   22   23   18   42   43                                       
CONECT   23   24   22   44   45                                       
CONECT   24    8   29   23   46                                       
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27    7    7   28   47                                       
CONECT   28   27    9    9   48                                       
CONECT   29   24   30   49   50                                       
CONECT   30   29   18   51   52                                       
CONECT   31    1    1    5                                            
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
