COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.860  -1.436  -0.361  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.667  -0.784  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.454  -1.401  -0.438  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.505  -2.553  -1.090  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.810  -2.596  -1.027  1.00  0.00           N  
HETATM    6  F   UNL     1      -8.825   2.708  -0.349  1.00  0.00           F  
HETATM    7  C   UNL     1      -7.871   3.103   0.595  1.00  0.00           C  
HETATM    8  F   UNL     1      -6.663   3.386  -0.052  1.00  0.00           F  
HETATM    9  F   UNL     1      -8.321   4.247   1.263  1.00  0.00           F  
HETATM   10  C   UNL     1      -7.656   1.975   1.606  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.171   0.742   0.887  1.00  0.00           C  
HETATM   12  S   UNL     1      -8.224  -0.495   0.227  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.901   0.457   0.675  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.660  -3.130  -1.371  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.237  -0.810  -0.151  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.991  -1.458  -0.568  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.890  -0.404  -0.716  1.00  0.00           C  
HETATM   18  C   UNL     1       0.423  -1.094  -1.093  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.568  -2.482   0.488  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.235  -3.112   0.076  1.00  0.00           C  
HETATM   21  N   UNL     1       0.785  -2.062  -0.051  1.00  0.00           N  
HETATM   22  C   UNL     1       2.109  -2.644  -0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       3.161  -1.571  -0.191  1.00  0.00           C  
HETATM   24  C   UNL     1       3.510  -0.842  -1.289  1.00  0.00           C  
HETATM   25  C   UNL     1       2.846  -1.109  -2.615  1.00  0.00           C  
HETATM   26  C   UNL     1       3.764  -1.329   1.042  1.00  0.00           C  
HETATM   27  O   UNL     1       3.399  -2.061   2.127  1.00  0.00           O  
HETATM   28  C   UNL     1       4.055  -1.763   3.361  1.00  0.00           C  
HETATM   29  C   UNL     1       4.731  -0.349   1.170  1.00  0.00           C  
HETATM   30  C   UNL     1       5.105   0.401   0.060  1.00  0.00           C  
HETATM   31  C   UNL     1       4.488   0.156  -1.183  1.00  0.00           C  
HETATM   32  C   UNL     1       5.056   1.061  -2.112  1.00  0.00           C  
HETATM   33  C   UNL     1       5.973   1.814  -1.449  1.00  0.00           C  
HETATM   34  C   UNL     1       6.773   2.851  -2.030  1.00  0.00           C  
HETATM   35  N   UNL     1       7.407   3.672  -2.491  1.00  0.00           N  
HETATM   36  N   UNL     1       6.013   1.419  -0.125  1.00  0.00           N  
HETATM   37  C   UNL     1       6.872   1.995   0.913  1.00  0.00           C  
HETATM   38  C   UNL     1       8.175   1.238   0.963  1.00  0.00           C  
HETATM   39  C   UNL     1       9.290   1.525   0.254  1.00  0.00           C  
HETATM   40  N   UNL     1      10.232   0.615   0.582  1.00  0.00           N  
HETATM   41  N   UNL     1       9.676  -0.260   1.524  1.00  0.00           N  
HETATM   42  C   UNL     1       8.445   0.118   1.756  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.913   2.282   2.342  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.598   1.755   2.110  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.098   1.098   1.007  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.659  -4.069  -1.904  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.208   0.034   0.327  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.144  -1.961  -1.523  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.167   0.304  -1.497  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.766   0.127   0.228  1.00  0.00           H  
HETATM   51  H   UNL     1       0.301  -1.612  -2.044  1.00  0.00           H  
HETATM   52  H   UNL     1       1.212  -0.347  -1.185  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.453  -1.985   1.451  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.328  -3.259   0.568  1.00  0.00           H  
HETATM   55  H   UNL     1       0.077  -3.831   0.834  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.354  -3.620  -0.880  1.00  0.00           H  
HETATM   57  H   UNL     1       2.309  -3.431   0.417  1.00  0.00           H  
HETATM   58  H   UNL     1       2.131  -3.064  -1.315  1.00  0.00           H  
HETATM   59  H   UNL     1       1.958  -0.485  -2.709  1.00  0.00           H  
HETATM   60  H   UNL     1       3.540  -0.877  -3.422  1.00  0.00           H  
HETATM   61  H   UNL     1       2.559  -2.159  -2.673  1.00  0.00           H  
HETATM   62  H   UNL     1       5.128  -1.920   3.249  1.00  0.00           H  
HETATM   63  H   UNL     1       3.865  -0.725   3.632  1.00  0.00           H  
HETATM   64  H   UNL     1       3.672  -2.418   4.143  1.00  0.00           H  
HETATM   65  H   UNL     1       5.194  -0.166   2.128  1.00  0.00           H  
HETATM   66  H   UNL     1       4.805   1.139  -3.159  1.00  0.00           H  
HETATM   67  H   UNL     1       7.069   3.042   0.681  1.00  0.00           H  
HETATM   68  H   UNL     1       6.373   1.924   1.879  1.00  0.00           H  
HETATM   69  H   UNL     1       9.407   2.337  -0.449  1.00  0.00           H  
HETATM   70  H   UNL     1      11.133   0.573   0.225  1.00  0.00           H  
HETATM   71  H   UNL     1       7.755  -0.358   2.437  1.00  0.00           H  
CONECT    1    5    5    2   12                                       
CONECT    2    3    3    1   13                                       
CONECT    3    4   15    2    2                                       
CONECT    4   14   14    3                                            
CONECT    5   14    1    1                                            
CONECT    6    7                                                      
CONECT    7    9    8    6   10                                       
CONECT    8    7                                                      
CONECT    9    7                                                      
CONECT   10    7   11   43   44                                       
CONECT   11   13   13   12   10                                       
CONECT   12    1   11                                                 
CONECT   13    2   11   11   45                                       
CONECT   14    4    4    5   46                                       
CONECT   15   16    3   47                                            
CONECT   16   19   15   17   48                                       
CONECT   17   16   18   49   50                                       
CONECT   18   21   17   51   52                                       
CONECT   19   20   16   53   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   20   22   18                                            
CONECT   22   21   23   57   58                                       
CONECT   23   22   26   26   24                                       
CONECT   24   23   25   31   31                                       
CONECT   25   24   59   60   61                                       
CONECT   26   27   23   23   29                                       
CONECT   27   28   26                                                 
CONECT   28   27   62   63   64                                       
CONECT   29   26   30   30   65                                       
CONECT   30   29   29   31   36                                       
CONECT   31   24   24   30   32                                       
CONECT   32   31   33   33   66                                       
CONECT   33   32   32   36   34                                       
CONECT   34   33   35   35   35                                       
CONECT   35   34   34   34                                            
CONECT   36   30   37   33                                            
CONECT   37   38   36   67   68                                       
CONECT   38   39   39   42   37                                       
CONECT   39   40   38   38   69                                       
CONECT   40   41   39   70                                            
CONECT   41   40   42   42                                            
CONECT   42   41   41   38   71                                       
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
