COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.008   0.041  -0.080  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.432  -0.937   0.132  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.229   0.194   0.221  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.652   1.453   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.281   1.588   0.248  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.059  -0.815   0.105  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.894  -3.910  -1.318  1.00  0.00           C  
HETATM    8  C   UNL     1       1.065   0.925  -0.058  1.00  0.00           C  
HETATM    9  C   UNL     1       2.368   0.433  -0.131  1.00  0.00           C  
HETATM   10  C   UNL     1       2.587  -0.942  -0.224  1.00  0.00           C  
HETATM   11  C   UNL     1       3.515   1.367  -0.109  1.00  0.00           C  
HETATM   12  C   UNL     1       5.890   2.615   1.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.397   0.557  -0.009  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.629   1.932   0.079  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.914   2.422   0.145  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.997   1.550   0.124  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.767   0.168   0.035  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.470  -0.327  -0.036  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.331   1.750   0.174  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.004   0.589   0.124  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.103  -0.460   0.036  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.411  -1.892  -0.041  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.586  -2.480  -1.241  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.509  -2.549   0.978  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.472   0.452   0.158  1.00  0.00           C  
HETATM   26  F   UNL     1     -11.574   0.068   0.252  1.00  0.00           F  
HETATM   27  C   UNL     1       1.516  -1.814  -0.245  1.00  0.00           C  
HETATM   28  C   UNL     1       0.224  -1.331  -0.173  1.00  0.00           C  
HETATM   29  N   UNL     1       4.773   0.889  -0.179  1.00  0.00           N  
HETATM   30  O   UNL     1       3.322   2.564  -0.028  1.00  0.00           O  
HETATM   31  C   UNL     1       5.909   1.814  -0.158  1.00  0.00           C  
HETATM   32  C   UNL     1       5.810   2.772  -1.347  1.00  0.00           C  
HETATM   33  C   UNL     1       7.195   1.032  -0.248  1.00  0.00           C  
HETATM   34  N   UNL     1       7.293  -0.174   0.344  1.00  0.00           N  
HETATM   35  O   UNL     1       8.141   1.489  -0.854  1.00  0.00           O  
HETATM   36  C   UNL     1       8.479  -0.895   0.261  1.00  0.00           C  
HETATM   37  S   UNL     1       8.760  -2.438   0.950  1.00  0.00           S  
HETATM   38  C   UNL     1      10.400  -2.407   0.303  1.00  0.00           C  
HETATM   39  N   UNL     1      10.552  -1.289  -0.333  1.00  0.00           N  
HETATM   40  N   UNL     1       9.556  -0.513  -0.357  1.00  0.00           N  
HETATM   41  H   UNL     1      -9.887  -1.915   0.087  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.278   2.330   0.350  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.832   2.569   0.294  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.439  -1.697   0.039  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.000  -4.203  -2.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.086  -4.481  -0.861  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.826  -4.110  -0.789  1.00  0.00           H  
HETATM   48  H   UNL     1       0.890   1.988   0.014  1.00  0.00           H  
HETATM   49  H   UNL     1       3.595  -1.325  -0.281  1.00  0.00           H  
HETATM   50  H   UNL     1       5.961   1.933   1.992  1.00  0.00           H  
HETATM   51  H   UNL     1       6.735   3.303   1.161  1.00  0.00           H  
HETATM   52  H   UNL     1       4.960   3.181   1.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.794   2.616   0.096  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.081   3.487   0.214  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.296  -1.390  -0.109  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.508  -1.956  -2.054  1.00  0.00           H  
HETATM   57  H   UNL     1       1.690  -2.877  -0.318  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.609  -2.018  -0.190  1.00  0.00           H  
HETATM   59  H   UNL     1       4.927  -0.066  -0.244  1.00  0.00           H  
HETATM   60  H   UNL     1       6.656   3.459  -1.331  1.00  0.00           H  
HETATM   61  H   UNL     1       5.824   2.201  -2.276  1.00  0.00           H  
HETATM   62  H   UNL     1       4.880   3.337  -1.282  1.00  0.00           H  
HETATM   63  H   UNL     1       6.536  -0.539   0.829  1.00  0.00           H  
HETATM   64  H   UNL     1      11.145  -3.181   0.417  1.00  0.00           H  
CONECT    1   13    8    8   28                                       
CONECT    2    3    3    6   41                                       
CONECT    3    4   26    2    2                                       
CONECT    4    5    5    3   42                                       
CONECT    5    4    4   25   43                                       
CONECT    6   25   25    2   44                                       
CONECT    7   23   45   46   47                                       
CONECT    8    1    1    9   48                                       
CONECT    9   11    8   10   10                                       
CONECT   10    9    9   27   49                                       
CONECT   11   29   30   30    9                                       
CONECT   12   31   50   51   52                                       
CONECT   13   14    1   18   18                                       
CONECT   14   15   15   13   53                                       
CONECT   15   14   14   16   54                                       
CONECT   16   15   19   17   17                                       
CONECT   17   16   16   18   21                                       
CONECT   18   13   13   17   55                                       
CONECT   19   16   20                                                 
CONECT   20   19   25   21   21                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22    7   56                                            
CONECT   24   22   22                                                 
CONECT   25    5   20    6    6                                       
CONECT   26    3                                                      
CONECT   27   28   28   10   57                                       
CONECT   28    1   27   27   58                                       
CONECT   29   31   11   59                                            
CONECT   30   11   11                                                 
CONECT   31   12   32   29   33                                       
CONECT   32   31   60   61   62                                       
CONECT   33   31   35   35   34                                       
CONECT   34   33   36   63                                            
CONECT   35   33   33                                                 
CONECT   36   34   37   40   40                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   64                                       
CONECT   39   40   38   38                                            
CONECT   40   36   36   39                                            
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   34                                                      
CONECT   64   38                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
