COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       0.402  -2.207   2.501  1.00  0.00           F  
HETATM    2  C   UNL     1       1.608  -2.786   2.313  1.00  0.00           C  
HETATM    3  C   UNL     1       2.228  -3.448   3.357  1.00  0.00           C  
HETATM    4  C   UNL     1       3.464  -4.041   3.164  1.00  0.00           C  
HETATM    5  F   UNL     1       4.070  -4.687   4.185  1.00  0.00           F  
HETATM    6  C   UNL     1       4.081  -3.973   1.926  1.00  0.00           C  
HETATM    7  C   UNL     1       3.464  -3.312   0.881  1.00  0.00           C  
HETATM    8  C   UNL     1       2.224  -2.722   1.069  1.00  0.00           C  
HETATM    9  O   UNL     1       1.613  -2.077   0.040  1.00  0.00           O  
HETATM   10  C   UNL     1       1.709  -0.722  -0.010  1.00  0.00           C  
HETATM   11  C   UNL     1       2.506  -0.048   0.900  1.00  0.00           C  
HETATM   12  C   UNL     1       2.609   1.329   0.848  1.00  0.00           C  
HETATM   13  C   UNL     1       1.913   2.046  -0.118  1.00  0.00           C  
HETATM   14  N   UNL     1       2.021   3.440  -0.166  1.00  0.00           N  
HETATM   15  S   UNL     1       3.506   4.161  -0.032  1.00  0.00           S  
HETATM   16  O   UNL     1       3.228   5.552  -0.097  1.00  0.00           O  
HETATM   17  O   UNL     1       4.073   3.581   1.135  1.00  0.00           O  
HETATM   18  C   UNL     1       4.406   3.622  -1.511  1.00  0.00           C  
HETATM   19  C   UNL     1       5.811   4.229  -1.503  1.00  0.00           C  
HETATM   20  C   UNL     1       1.112   1.381  -1.034  1.00  0.00           C  
HETATM   21  C   UNL     1       1.006  -0.006  -0.985  1.00  0.00           C  
HETATM   22  C   UNL     1       0.156  -0.723  -1.966  1.00  0.00           C  
HETATM   23  C   UNL     1       0.731  -1.405  -2.992  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.006  -2.077  -3.917  1.00  0.00           N  
HETATM   25  C   UNL     1       0.676  -2.793  -4.998  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.354  -2.098  -3.856  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.002  -2.705  -4.692  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.025  -1.384  -2.777  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.415  -1.178  -2.386  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.254  -0.700  -1.830  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.095  -0.132  -0.952  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.378  -0.405  -1.268  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.555   0.062  -0.517  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.554   0.843   0.618  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.863  -0.189  -0.812  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.615   0.414   0.115  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.845   1.031   0.971  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.320   1.826   2.160  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.220   2.683   2.808  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.813   2.277   4.167  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.350   1.017   3.468  1.00  0.00           C  
HETATM   42  H   UNL     1       1.749  -3.502   4.324  1.00  0.00           H  
HETATM   43  H   UNL     1       5.045  -4.436   1.778  1.00  0.00           H  
HETATM   44  H   UNL     1       3.946  -3.260  -0.084  1.00  0.00           H  
HETATM   45  H   UNL     1       3.049  -0.601   1.653  1.00  0.00           H  
HETATM   46  H   UNL     1       3.232   1.850   1.560  1.00  0.00           H  
HETATM   47  H   UNL     1       1.226   3.985  -0.278  1.00  0.00           H  
HETATM   48  H   UNL     1       4.481   2.534  -1.516  1.00  0.00           H  
HETATM   49  H   UNL     1       3.872   3.953  -2.402  1.00  0.00           H  
HETATM   50  H   UNL     1       6.352   3.905  -2.393  1.00  0.00           H  
HETATM   51  H   UNL     1       5.737   5.316  -1.499  1.00  0.00           H  
HETATM   52  H   UNL     1       6.345   3.898  -0.613  1.00  0.00           H  
HETATM   53  H   UNL     1       0.572   1.939  -1.785  1.00  0.00           H  
HETATM   54  H   UNL     1       1.808  -1.413  -3.075  1.00  0.00           H  
HETATM   55  H   UNL     1       0.884  -3.815  -4.683  1.00  0.00           H  
HETATM   56  H   UNL     1       0.039  -2.807  -5.883  1.00  0.00           H  
HETATM   57  H   UNL     1       1.613  -2.287  -5.234  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.294  -1.561  -2.882  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.774   1.191   1.077  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.227  -0.772  -1.645  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.242   2.372   1.964  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.213   2.301   2.639  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.312   3.747   2.591  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.060   2.067   4.927  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.596   2.948   4.520  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.355   0.737   3.785  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.653   0.180   3.480  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   43                                       
CONECT    7    8    6    6   44                                       
CONECT    8    2    2    9    7                                       
CONECT    9   10    8                                                 
CONECT   10   11   11   21    9                                       
CONECT   11   12   10   10   45                                       
CONECT   12   13   13   11   46                                       
CONECT   13   14   12   12   20                                       
CONECT   14   15   13   47                                            
CONECT   15   17   17   16   16                                       
CONECT   15   14   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   19   48   49                                       
CONECT   19   18   50   51   52                                       
CONECT   20   13   21   21   53                                       
CONECT   21   20   20   10   22                                       
CONECT   22   30   21   23   23                                       
CONECT   23   22   22   24   54                                       
CONECT   24   26   23   25                                            
CONECT   25   24   55   56   57                                       
CONECT   26   28   27   27   24                                       
CONECT   27   26   26                                                 
CONECT   28   29   30   30   26                                       
CONECT   29   32   32   28   58                                       
CONECT   30   31   28   28   22                                       
CONECT   31   32   30                                                 
CONECT   32   33   31   29   29                                       
CONECT   33   35   35   34   32                                       
CONECT   34   37   33   59                                            
CONECT   35   36   33   33   60                                       
CONECT   36   37   37   35                                            
CONECT   37   38   36   36   34                                       
CONECT   38   39   37   41   61                                       
CONECT   39   38   40   62   63                                       
CONECT   40   39   41   64   65                                       
CONECT   41   38   40   66   67                                       
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   29                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   38                                                      
CONECT   62   39                                                      
CONECT   63   39                                                      
CONECT   64   40                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   41                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
