COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.461  -0.923   1.133  1.00  0.00           C  
HETATM    2  C   UNL     1       5.551  -0.759  -0.177  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.455  -1.818   0.788  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.598  -1.368   0.143  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.740  -0.021  -0.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.605   0.420   0.836  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.679   3.859  -0.777  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.726  -1.714  -0.860  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.617   0.964   2.350  1.00  0.00           O  
HETATM   10  S   UNL     1      -3.335   1.559   1.277  1.00  0.00           S  
HETATM   11  N   UNL     1      -2.284   1.641   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.498   2.626  -1.063  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.717   4.901  -1.622  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.987   3.908   0.212  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.200   0.775  -0.064  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.089   1.059   0.586  1.00  0.00           N  
HETATM   17  C   UNL     1       0.978   0.270   0.562  1.00  0.00           C  
HETATM   18  C   UNL     1       0.994  -0.900  -0.145  1.00  0.00           C  
HETATM   19  N   UNL     1       2.133  -1.712  -0.152  1.00  0.00           N  
HETATM   20  C   UNL     1       2.346  -2.684   0.924  1.00  0.00           C  
HETATM   21  C   UNL     1       3.026  -1.993   2.107  1.00  0.00           C  
HETATM   22  F   UNL     1       2.212  -0.954   2.572  1.00  0.00           F  
HETATM   23  F   UNL     1       3.230  -2.921   3.135  1.00  0.00           F  
HETATM   24  F   UNL     1       4.258  -1.472   1.698  1.00  0.00           F  
HETATM   25  S   UNL     1       3.240  -1.576  -1.376  1.00  0.00           S  
HETATM   26  O   UNL     1       2.545  -1.022  -2.485  1.00  0.00           O  
HETATM   27  C   UNL     1       4.424  -0.370  -0.877  1.00  0.00           C  
HETATM   28  C   UNL     1       6.481   0.185   0.215  1.00  0.00           C  
HETATM   29  C   UNL     1       6.285   1.522  -0.098  1.00  0.00           C  
HETATM   30  O   UNL     1       7.199   2.452   0.286  1.00  0.00           O  
HETATM   31  C   UNL     1       6.932   3.809  -0.071  1.00  0.00           C  
HETATM   32  C   UNL     1       5.156   1.908  -0.805  1.00  0.00           C  
HETATM   33  C   UNL     1       4.224   0.962  -1.186  1.00  0.00           C  
HETATM   34  O   UNL     1       3.930  -2.817  -1.433  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.161  -1.273  -0.868  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.288  -0.414  -0.820  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.447  -0.761  -1.528  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.473  -1.917  -2.249  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.365  -2.760  -2.295  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.224  -2.455  -1.615  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.743   0.870   0.193  1.00  0.00           C  
HETATM   42  O   UNL     1      -7.577  -2.247  -0.198  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.954   2.835   1.369  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.573  -1.271   1.639  1.00  0.00           H  
HETATM   45  H   UNL     1       5.703  -1.800   0.067  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.342  -2.867   1.020  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.629   0.331  -0.657  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.421  -1.239  -1.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.428  -2.519  -1.075  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.206  -0.975  -0.217  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.554   2.894  -1.103  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.194   2.201  -2.019  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.175   5.669  -1.397  1.00  0.00           H  
HETATM   54  H   UNL     1       1.858   0.561   1.116  1.00  0.00           H  
HETATM   55  H   UNL     1       1.386  -3.089   1.242  1.00  0.00           H  
HETATM   56  H   UNL     1       2.980  -3.493   0.562  1.00  0.00           H  
HETATM   57  H   UNL     1       7.359  -0.119   0.766  1.00  0.00           H  
HETATM   58  H   UNL     1       7.737   4.446   0.295  1.00  0.00           H  
HETATM   59  H   UNL     1       6.867   3.894  -1.156  1.00  0.00           H  
HETATM   60  H   UNL     1       5.989   4.124   0.375  1.00  0.00           H  
HETATM   61  H   UNL     1       5.001   2.949  -1.050  1.00  0.00           H  
HETATM   62  H   UNL     1       3.342   1.263  -1.732  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.314  -0.117  -1.501  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.367  -2.183  -2.794  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.414  -3.672  -2.872  1.00  0.00           H  
HETATM   66  H   UNL     1       0.628  -3.117  -1.659  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.853   1.920  -0.038  1.00  0.00           H  
CONECT    1    6    6    3   44                                       
CONECT    2   27   27   28   45                                       
CONECT    3    1    4    4   46                                       
CONECT    4    3    3    5   42                                       
CONECT    5   41   41    4   47                                       
CONECT    6   10    1    1   41                                       
CONECT    7   14   14   12   13                                       
CONECT    8   42   48   49   50                                       
CONECT    9   10   10                                                 
CONECT   10   11    9    9   43                                       
CONECT   10   43    6                                                 
CONECT   11   15   12   10                                            
CONECT   12   11    7   51   52                                       
CONECT   13    7   53                                                 
CONECT   14    7    7                                                 
CONECT   15   36   36   16   11                                       
CONECT   16   17   17   15                                            
CONECT   17   18   16   16   54                                       
CONECT   18   19   35   35   17                                       
CONECT   19   20   25   18                                            
CONECT   20   21   19   55   56                                       
CONECT   21   24   23   20   22                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   34   34   19   26                                       
CONECT   25   26   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25    2    2   33                                       
CONECT   28    2   29   29   57                                       
CONECT   29   28   28   32   30                                       
CONECT   30   29   31                                                 
CONECT   31   30   58   59   60                                       
CONECT   32   33   33   29   61                                       
CONECT   33   27   32   32   62                                       
CONECT   34   25   25                                                 
CONECT   35   40   18   18   36                                       
CONECT   36   35   37   15   15                                       
CONECT   37   38   38   36   63                                       
CONECT   38   39   37   37   64                                       
CONECT   39   40   40   38   65                                       
CONECT   40   39   39   35   66                                       
CONECT   41    6    5    5   67                                       
CONECT   42    4    8                                                 
CONECT   43   10   10                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   28                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
CONECT   67   41                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
