COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.307  -0.084  -0.052  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.088  -0.829   0.856  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.434  -0.490   1.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.078  -1.645   0.906  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.690   0.631  -0.064  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.189   0.983  -0.043  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.877   0.901  -0.732  1.00  0.00           N  
HETATM    8  N   UNL     1      -6.047  -0.624   0.004  1.00  0.00           N  
HETATM    9  N   UNL     1      -7.274  -1.764   1.404  1.00  0.00           N  
HETATM   10  O   UNL     1      -3.935  -1.250  -0.868  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.881  -0.183  -0.766  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.609  -0.728  -0.774  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.731  -1.685   0.036  1.00  0.00           C  
HETATM   14  C   UNL     1       9.144  -1.202  -0.548  1.00  0.00           C  
HETATM   15  C   UNL     1       7.306   0.078  -0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       8.090   0.824   0.852  1.00  0.00           C  
HETATM   17  C   UNL     1       9.436   0.483   0.996  1.00  0.00           C  
HETATM   18  C   UNL     1       6.084   1.648   0.900  1.00  0.00           C  
HETATM   19  C   UNL     1       2.686  -0.624  -0.063  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.624  -2.108  -0.762  1.00  0.00           O  
HETATM   21  C   UNL     1       4.880   0.183  -0.764  1.00  0.00           C  
HETATM   22  C   UNL     1       2.609   0.735  -0.776  1.00  0.00           C  
HETATM   23  C   UNL     1       1.735   1.696   0.032  1.00  0.00           C  
HETATM   24  C   UNL     1       4.184  -0.977  -0.035  1.00  0.00           C  
HETATM   25  N   UNL     1       9.913  -0.524   0.285  1.00  0.00           N  
HETATM   26  N   UNL     1      -9.915   0.512   0.285  1.00  0.00           N  
HETATM   27  C   UNL     1      -9.152   1.180  -0.561  1.00  0.00           C  
HETATM   28  O   UNL     1       0.779  -2.299   1.328  1.00  0.00           O  
HETATM   29  N   UNL     1     -10.255  -1.194   1.887  1.00  0.00           N1+
HETATM   30  F   UNL     1       4.412  -2.181  -0.709  1.00  0.00           F  
HETATM   31  F   UNL     1      -4.416   2.182  -0.726  1.00  0.00           F  
HETATM   32  N   UNL     1       7.870  -0.916  -0.723  1.00  0.00           N  
HETATM   33  N   UNL     1       6.048   0.623   0.002  1.00  0.00           N  
HETATM   34  N   UNL     1       7.281   1.765   1.397  1.00  0.00           N  
HETATM   35  N   UNL     1      10.261   1.188   1.877  1.00  0.00           N1+
HETATM   36  O   UNL     1      -1.959   1.618  -0.794  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.776   2.296   1.330  1.00  0.00           O  
HETATM   38  O   UNL     1       3.937   1.252  -0.871  1.00  0.00           O  
HETATM   39  O   UNL     1       1.957  -1.611  -0.796  1.00  0.00           O  
HETATM   40  O   UNL     1       0.623   2.112  -0.763  1.00  0.00           O  
HETATM   41  P   UNL     1       0.802  -2.517  -0.136  1.00  0.00           P  
HETATM   42  P   UNL     1      -0.801   2.520  -0.132  1.00  0.00           P  
HETATM   43  S   UNL     1       1.190  -4.562  -0.540  1.00  0.00           S  
HETATM   44  S   UNL     1      -1.188   4.567  -0.527  1.00  0.00           S  
HETATM   45  H   UNL     1      -5.234  -2.264   1.168  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.306   0.552   0.953  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.547   1.058   0.984  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.193   0.132  -1.762  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.190  -0.599  -1.772  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.364  -1.174   0.927  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.319  -2.554   0.332  1.00  0.00           H  
HETATM   52  H   UNL     1       9.576  -2.017  -1.109  1.00  0.00           H  
HETATM   53  H   UNL     1       5.242   2.272   1.160  1.00  0.00           H  
HETATM   54  H   UNL     1       2.297  -0.542   0.952  1.00  0.00           H  
HETATM   55  H   UNL     1       5.189  -0.138  -1.759  1.00  0.00           H  
HETATM   56  H   UNL     1       2.190   0.605  -1.774  1.00  0.00           H  
HETATM   57  H   UNL     1       1.372   1.191   0.928  1.00  0.00           H  
HETATM   58  H   UNL     1       2.323   2.568   0.320  1.00  0.00           H  
HETATM   59  H   UNL     1       4.538  -1.045   0.993  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.588   1.991  -1.126  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.224  -0.756   2.796  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.204  -1.187   1.543  1.00  0.00           H  
HETATM   63  H   UNL     1      10.231   0.753   2.787  1.00  0.00           H  
HETATM   64  H   UNL     1      11.208   1.180   1.531  1.00  0.00           H  
HETATM   65  H   UNL     1       0.163  -5.189   0.060  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.159   5.191   0.074  1.00  0.00           H  
HETATM   67  H   UNL     1       9.938   2.142   1.950  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.931  -2.146   1.961  1.00  0.00           H  
CONECT    1    7    7    2    8                                       
CONECT    2    3    3    1    9                                       
CONECT    3   26   29    2    2                                       
CONECT    4    8    9    9   45                                       
CONECT    5   36    6   12   46                                       
CONECT    6    5   31   11   47                                       
CONECT    7   27    1    1                                            
CONECT    8    1   11    4                                            
CONECT    9    2    4    4                                            
CONECT   10   12   11                                                 
CONECT   11    6    8   10   48                                       
CONECT   12    5   13   10   49                                       
CONECT   13   12   20   50   51                                       
CONECT   14   32   32   25   52                                       
CONECT   15   33   16   16   32                                       
CONECT   16   34   15   15   17                                       
CONECT   17   16   35   25   25                                       
CONECT   18   34   34   33   53                                       
CONECT   19   22   24   39   54                                       
CONECT   20   13   41                                                 
CONECT   21   38   33   24   55                                       
CONECT   22   38   23   19   56                                       
CONECT   23   40   22   57   58                                       
CONECT   24   21   30   19   59                                       
CONECT   25   17   17   14                                            
CONECT   26   27   27    3                                            
CONECT   27   26   26    7   60                                       
CONECT   28   41   41                                                 
CONECT   29    3   61   62   68                                       
CONECT   30   24                                                      
CONECT   31    6                                                      
CONECT   32   15   14   14                                            
CONECT   33   18   21   15                                            
CONECT   34   18   18   16                                            
CONECT   35   17   63   64   67                                       
CONECT   36   42    5                                                 
CONECT   37   42   42                                                 
CONECT   38   21   22                                                 
CONECT   39   19   41                                                 
CONECT   40   42   23                                                 
CONECT   41   39   20   28   28                                       
CONECT   41   43                                                      
CONECT   42   44   37   37   40                                       
CONECT   42   36                                                      
CONECT   43   41   65                                                 
CONECT   44   42   66                                                 
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   43                                                      
CONECT   66   44                                                      
CONECT   67   35                                                      
CONECT   68   29                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
