COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -8.365  -0.924   1.312  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.823   0.244   0.764  1.00  0.00           C  
HETATM    3  F   UNL     1      -8.025   0.247  -0.620  1.00  0.00           F  
HETATM    4  F   UNL     1      -8.450   1.359   1.331  1.00  0.00           F  
HETATM    5  C   UNL     1      -6.323   0.297   1.061  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.666  -0.870   0.468  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.623  -2.138   1.202  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.972  -0.757  -1.031  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.930  -2.078  -1.554  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.620   0.320  -1.693  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.297  -0.262  -0.795  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.312  -1.219  -0.636  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.998  -0.837  -0.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.973   1.082  -0.775  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.663   1.476  -0.591  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.666   0.516  -0.425  1.00  0.00           C  
HETATM   17  C   UNL     1       0.744   0.933  -0.227  1.00  0.00           C  
HETATM   18  C   UNL     1       1.077   2.286  -0.206  1.00  0.00           C  
HETATM   19  C   UNL     1       2.390   2.668  -0.021  1.00  0.00           C  
HETATM   20  C   UNL     1       2.751   4.131   0.003  1.00  0.00           C  
HETATM   21  F   UNL     1       1.597   4.899  -0.182  1.00  0.00           F  
HETATM   22  F   UNL     1       3.330   4.448   1.236  1.00  0.00           F  
HETATM   23  F   UNL     1       3.661   4.403  -1.024  1.00  0.00           F  
HETATM   24  C   UNL     1       3.375   1.711   0.144  1.00  0.00           C  
HETATM   25  C   UNL     1       1.739  -0.027  -0.055  1.00  0.00           C  
HETATM   26  C   UNL     1       3.050   0.367   0.123  1.00  0.00           C  
HETATM   27  C   UNL     1       4.128  -0.670   0.309  1.00  0.00           C  
HETATM   28  C   UNL     1       5.456   0.018   0.630  1.00  0.00           C  
HETATM   29  C   UNL     1       5.345   0.739   1.975  1.00  0.00           C  
HETATM   30  C   UNL     1       6.569  -1.031   0.705  1.00  0.00           C  
HETATM   31  C   UNL     1       3.751  -1.600   1.435  1.00  0.00           C  
HETATM   32  C   UNL     1       3.302  -1.030   2.670  1.00  0.00           C  
HETATM   33  N   UNL     1       2.946  -0.579   3.649  1.00  0.00           N  
HETATM   34  C   UNL     1       3.817  -2.944   1.333  1.00  0.00           C  
HETATM   35  N   UNL     1       3.452  -3.686   2.428  1.00  0.00           N  
HETATM   36  C   UNL     1       4.269  -1.488  -0.949  1.00  0.00           C  
HETATM   37  C   UNL     1       4.378  -1.086  -2.224  1.00  0.00           C  
HETATM   38  C   UNL     1       4.381   0.341  -2.709  1.00  0.00           C  
HETATM   39  N   UNL     1       4.484  -2.192  -2.996  1.00  0.00           N  
HETATM   40  N   UNL     1       4.437  -3.316  -2.156  1.00  0.00           N  
HETATM   41  C   UNL     1       4.308  -2.900  -0.929  1.00  0.00           C  
HETATM   42  O   UNL     1       4.215  -3.608   0.230  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.901   1.207   0.635  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.165   0.294   2.139  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.723  -2.171   1.816  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.502  -2.218   1.841  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.611  -2.967   0.494  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.570  -2.268  -0.656  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.230  -1.585  -0.327  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.746   1.825  -0.904  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.410   2.526  -0.575  1.00  0.00           H  
HETATM   52  H   UNL     1       0.308   3.034  -0.334  1.00  0.00           H  
HETATM   53  H   UNL     1       4.401   2.014   0.287  1.00  0.00           H  
HETATM   54  H   UNL     1       1.486  -1.077  -0.066  1.00  0.00           H  
HETATM   55  H   UNL     1       5.690   0.740  -0.152  1.00  0.00           H  
HETATM   56  H   UNL     1       5.247   0.005   2.774  1.00  0.00           H  
HETATM   57  H   UNL     1       6.240   1.340   2.140  1.00  0.00           H  
HETATM   58  H   UNL     1       4.469   1.388   1.968  1.00  0.00           H  
HETATM   59  H   UNL     1       7.515  -0.540   0.933  1.00  0.00           H  
HETATM   60  H   UNL     1       6.335  -1.753   1.487  1.00  0.00           H  
HETATM   61  H   UNL     1       6.648  -1.545  -0.253  1.00  0.00           H  
HETATM   62  H   UNL     1       3.159  -3.242   3.239  1.00  0.00           H  
HETATM   63  H   UNL     1       3.487  -4.655   2.391  1.00  0.00           H  
HETATM   64  H   UNL     1       5.405   0.715  -2.730  1.00  0.00           H  
HETATM   65  H   UNL     1       3.958   0.385  -3.713  1.00  0.00           H  
HETATM   66  H   UNL     1       3.783   0.955  -2.036  1.00  0.00           H  
HETATM   67  H   UNL     1       4.575  -2.206  -3.961  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    4    5    3                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    6    2   43   44                                       
CONECT    6    7    8    5                                            
CONECT    7    6   45   46   47                                       
CONECT    8    9    9    6   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   14   14   12                                       
CONECT   12   11   13   13   48                                       
CONECT   13   12   12   16   49                                       
CONECT   14   11   11   15   50                                       
CONECT   15   14   16   16   51                                       
CONECT   16   15   15   13   17                                       
CONECT   17   16   25   25   18                                       
CONECT   18   17   19   19   52                                       
CONECT   19   18   18   24   20                                       
CONECT   20   19   22   21   23                                       
CONECT   21   20                                                      
CONECT   22   20                                                      
CONECT   23   20                                                      
CONECT   24   26   26   19   53                                       
CONECT   25   17   17   26   54                                       
CONECT   26   25   27   24   24                                       
CONECT   27   36   26   28   31                                       
CONECT   28   30   27   29   55                                       
CONECT   29   28   56   57   58                                       
CONECT   30   28   59   60   61                                       
CONECT   31   27   34   34   32                                       
CONECT   32   31   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34   42   31   31   35                                       
CONECT   35   34   62   63                                            
CONECT   36   37   37   41   27                                       
CONECT   37   39   38   36   36                                       
CONECT   38   37   64   65   66                                       
CONECT   39   40   37   67                                            
CONECT   40   39   41   41                                            
CONECT   41   40   40   36   42                                       
CONECT   42   41   34                                                 
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   18                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
