COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.920   0.767   1.429  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.917  -0.059   0.968  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.525  -0.980   0.076  1.00  0.00           C  
HETATM    4 CL   UNL     1      -8.578  -2.145  -0.663  1.00  0.00          Cl  
HETATM    5  S   UNL     1      -5.852  -0.853  -0.235  1.00  0.00           S  
HETATM    6  C   UNL     1      -5.696   0.493   0.885  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.454   1.208   1.187  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.460   2.129   1.982  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.304   0.845   0.585  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.062   1.559   0.887  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.915   0.952   0.076  1.00  0.00           C  
HETATM   12  C   UNL     1       0.383   1.609   0.472  1.00  0.00           C  
HETATM   13  O   UNL     1       1.108   1.076   1.285  1.00  0.00           O  
HETATM   14  N   UNL     1       0.737   2.787  -0.076  1.00  0.00           N  
HETATM   15  C   UNL     1       1.924   3.583   0.288  1.00  0.00           C  
HETATM   16  C   UNL     1       0.008   3.490  -1.142  1.00  0.00           C  
HETATM   17  C   UNL     1       0.767   4.803  -1.428  1.00  0.00           C  
HETATM   18  C   UNL     1       1.568   5.035  -0.118  1.00  0.00           C  
HETATM   19  N   UNL     1       2.781   5.821  -0.377  1.00  0.00           N  
HETATM   20  C   UNL     1       2.444   7.198  -0.762  1.00  0.00           C  
HETATM   21  C   UNL     1       3.677   5.805   0.788  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.836  -0.486   0.342  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.426  -1.532  -0.876  1.00  0.00           S  
HETATM   24  O   UNL     1      -0.423  -2.832  -0.303  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.226  -1.177  -1.995  1.00  0.00           O  
HETATM   26  C   UNL     1       1.241  -1.182  -1.325  1.00  0.00           C  
HETATM   27  C   UNL     1       2.263  -1.397  -0.415  1.00  0.00           C  
HETATM   28  O   UNL     1       1.982  -1.878   0.826  1.00  0.00           O  
HETATM   29  C   UNL     1       2.142  -3.283   1.028  1.00  0.00           C  
HETATM   30  F   UNL     1       1.430  -3.980   0.046  1.00  0.00           F  
HETATM   31  F   UNL     1       3.499  -3.615   0.945  1.00  0.00           F  
HETATM   32  C   UNL     1       1.530  -0.698  -2.588  1.00  0.00           C  
HETATM   33  C   UNL     1       2.837  -0.423  -2.944  1.00  0.00           C  
HETATM   34  C   UNL     1       3.862  -0.630  -2.040  1.00  0.00           C  
HETATM   35  C   UNL     1       3.580  -1.120  -0.774  1.00  0.00           C  
HETATM   36  N   UNL     1       4.618  -1.336   0.143  1.00  0.00           N  
HETATM   37  C   UNL     1       4.825  -0.340   1.188  1.00  0.00           C  
HETATM   38  C   UNL     1       5.639  -0.933   2.338  1.00  0.00           C  
HETATM   39  C   UNL     1       6.895  -1.597   1.760  1.00  0.00           C  
HETATM   40  C   UNL     1       6.465  -2.817   0.942  1.00  0.00           C  
HETATM   41  C   UNL     1       5.352  -2.441   0.008  1.00  0.00           C  
HETATM   42  O   UNL     1       5.110  -3.180  -0.923  1.00  0.00           O  
HETATM   43  H   UNL     1      -7.088   1.557   2.146  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.941   0.027   1.301  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.300   0.110  -0.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.175   2.611   0.626  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.841   1.470   1.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.095   1.116  -0.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.023  -0.826   1.230  1.00  0.00           H  
HETATM   50  H   UNL     1       2.105   3.523   1.361  1.00  0.00           H  
HETATM   51  H   UNL     1       2.797   3.237  -0.265  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.020   2.874  -2.041  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.007   3.713  -0.812  1.00  0.00           H  
HETATM   54  H   UNL     1       0.949   5.512   0.641  1.00  0.00           H  
HETATM   55  H   UNL     1       1.444   4.681  -2.274  1.00  0.00           H  
HETATM   56  H   UNL     1       0.069   5.621  -1.606  1.00  0.00           H  
HETATM   57  H   UNL     1       1.884   7.674   0.043  1.00  0.00           H  
HETATM   58  H   UNL     1       3.360   7.759  -0.947  1.00  0.00           H  
HETATM   59  H   UNL     1       1.837   7.184  -1.668  1.00  0.00           H  
HETATM   60  H   UNL     1       3.967   4.778   1.008  1.00  0.00           H  
HETATM   61  H   UNL     1       4.567   6.395   0.569  1.00  0.00           H  
HETATM   62  H   UNL     1       3.162   6.231   1.649  1.00  0.00           H  
HETATM   63  H   UNL     1       0.732  -0.535  -3.297  1.00  0.00           H  
HETATM   64  H   UNL     1       1.762  -3.554   2.013  1.00  0.00           H  
HETATM   65  H   UNL     1       3.058  -0.046  -3.932  1.00  0.00           H  
HETATM   66  H   UNL     1       4.882  -0.414  -2.322  1.00  0.00           H  
HETATM   67  H   UNL     1       5.359   0.514   0.771  1.00  0.00           H  
HETATM   68  H   UNL     1       3.858  -0.008   1.564  1.00  0.00           H  
HETATM   69  H   UNL     1       5.929  -0.140   3.028  1.00  0.00           H  
HETATM   70  H   UNL     1       5.041  -1.678   2.864  1.00  0.00           H  
HETATM   71  H   UNL     1       7.420  -0.890   1.117  1.00  0.00           H  
HETATM   72  H   UNL     1       7.551  -1.911   2.572  1.00  0.00           H  
HETATM   73  H   UNL     1       7.315  -3.186   0.368  1.00  0.00           H  
HETATM   74  H   UNL     1       6.118  -3.600   1.617  1.00  0.00           H  
CONECT    1    2    6    6   43                                       
CONECT    2    1    3    3   44                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6                                                 
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   45                                            
CONECT   10    9   11   46   47                                       
CONECT   11   10   12   22   48                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   16                                            
CONECT   15   14   18   50   51                                       
CONECT   16   14   17   52   53                                       
CONECT   17   16   18   55   56                                       
CONECT   18   15   17   19   54                                       
CONECT   19   18   20   21                                            
CONECT   20   19   57   58   59                                       
CONECT   21   19   60   61   62                                       
CONECT   22   11   23   49                                            
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   32   32                                       
CONECT   27   26   28   35   35                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   31   64                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   26   26   33   63                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   66                                       
CONECT   35   27   27   34   36                                       
CONECT   36   35   37   41                                            
CONECT   37   36   38   67   68                                       
CONECT   38   37   39   69   70                                       
CONECT   39   38   40   71   72                                       
CONECT   40   39   41   73   74                                       
CONECT   41   36   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   22                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   32                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
