COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.672   3.769   1.245  1.00  0.00           C  
HETATM    2  C   UNL     1       4.648   4.587   0.786  1.00  0.00           C  
HETATM    3  C   UNL     1       5.375   5.648   1.571  1.00  0.00           C  
HETATM    4  O   UNL     1       4.841   4.269  -0.502  1.00  0.00           O  
HETATM    5  N   UNL     1       4.110   3.375  -0.859  1.00  0.00           N  
HETATM    6  C   UNL     1       3.340   2.967   0.118  1.00  0.00           C  
HETATM    7  C   UNL     1       2.323   1.888   0.060  1.00  0.00           C  
HETATM    8  O   UNL     1       1.672   1.614   1.048  1.00  0.00           O  
HETATM    9  C   UNL     1       4.701  -4.379   1.047  1.00  0.00           C  
HETATM   10  C   UNL     1       5.697  -2.356  -0.025  1.00  0.00           C  
HETATM   11  C   UNL     1       6.809  -0.478   0.960  1.00  0.00           C  
HETATM   12  C   UNL     1       6.724  -2.482  -0.942  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.238   0.717  -0.815  1.00  0.00           C  
HETATM   14  C   UNL     1       1.118   0.148  -1.146  1.00  0.00           C  
HETATM   15  C   UNL     1       1.473  -0.943  -0.133  1.00  0.00           C  
HETATM   16  C   UNL     1       2.771  -1.596  -0.534  1.00  0.00           C  
HETATM   17  C   UNL     1       2.682  -3.138   1.446  1.00  0.00           C  
HETATM   18  C   UNL     1       3.250  -4.575   1.561  1.00  0.00           C  
HETATM   19  C   UNL     1       4.535  -3.314  -0.058  1.00  0.00           C  
HETATM   20  C   UNL     1       5.740  -1.353   0.926  1.00  0.00           C  
HETATM   21  C   UNL     1       7.835  -0.604   0.043  1.00  0.00           C  
HETATM   22  C   UNL     1       7.793  -1.607  -0.908  1.00  0.00           C  
HETATM   23  N   UNL     1       3.283  -2.592   0.216  1.00  0.00           N  
HETATM   24  N   UNL     1       2.122   1.213  -1.089  1.00  0.00           N  
HETATM   25  O   UNL     1      -0.325   1.768  -0.217  1.00  0.00           O  
HETATM   26  O   UNL     1       3.354  -1.226  -1.531  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.354   0.057  -1.184  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.672   0.611  -0.863  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.684  -0.504  -0.802  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.338  -1.649  -1.005  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.082   1.612  -1.945  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.956  -1.314  -0.459  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.312  -0.745  -0.129  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.273  -0.634  -1.115  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.517  -0.111  -0.814  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.801   0.301   0.477  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.839   0.189   1.466  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.596  -0.339   1.164  1.00  0.00           C  
HETATM   39  F   UNL     1     -11.016   0.812   0.771  1.00  0.00           F  
HETATM   40  F   UNL     1      -6.658  -0.454   2.130  1.00  0.00           F  
HETATM   41  N   UNL     1      -4.973  -0.230  -0.520  1.00  0.00           N  
HETATM   42  H   UNL     1       3.247   3.731   2.237  1.00  0.00           H  
HETATM   43  H   UNL     1       6.260   5.214   2.036  1.00  0.00           H  
HETATM   44  H   UNL     1       5.676   6.453   0.900  1.00  0.00           H  
HETATM   45  H   UNL     1       4.716   6.045   2.342  1.00  0.00           H  
HETATM   46  H   UNL     1       5.345  -4.010   1.844  1.00  0.00           H  
HETATM   47  H   UNL     1       5.092  -5.307   0.632  1.00  0.00           H  
HETATM   48  H   UNL     1       6.842   0.306   1.703  1.00  0.00           H  
HETATM   49  H   UNL     1       6.691  -3.266  -1.684  1.00  0.00           H  
HETATM   50  H   UNL     1       1.098  -0.280  -2.148  1.00  0.00           H  
HETATM   51  H   UNL     1       1.580  -0.499   0.857  1.00  0.00           H  
HETATM   52  H   UNL     1       0.681  -1.691  -0.112  1.00  0.00           H  
HETATM   53  H   UNL     1       1.596  -3.166   1.358  1.00  0.00           H  
HETATM   54  H   UNL     1       2.978  -2.543   2.310  1.00  0.00           H  
HETATM   55  H   UNL     1       2.699  -5.265   0.922  1.00  0.00           H  
HETATM   56  H   UNL     1       3.245  -4.916   2.596  1.00  0.00           H  
HETATM   57  H   UNL     1       4.480  -3.797  -1.033  1.00  0.00           H  
HETATM   58  H   UNL     1       4.937  -1.254   1.643  1.00  0.00           H  
HETATM   59  H   UNL     1       8.670   0.080   0.069  1.00  0.00           H  
HETATM   60  H   UNL     1       8.595  -1.706  -1.624  1.00  0.00           H  
HETATM   61  H   UNL     1       2.641   1.432  -1.878  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.285  -0.784  -1.663  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.629   1.116   0.101  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.125   1.107  -2.910  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.063   2.024  -1.707  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.350   2.418  -1.990  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.664  -2.027   0.312  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.999  -1.820  -1.424  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.052  -0.955  -2.123  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.267  -0.024  -1.586  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.059   0.511   2.473  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.249   0.685  -0.356  1.00  0.00           H  
CONECT    1    6    2    2   42                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2   43   44   45                                       
CONECT    4    2    5                                                 
CONECT    5    6    6    4                                            
CONECT    6    7    1    5    5                                       
CONECT    7    8    8   24    6                                       
CONECT    8    7    7                                                 
CONECT    9   19   18   46   47                                       
CONECT   10   12   12   20   19                                       
CONECT   11   21   20   20   48                                       
CONECT   12   10   10   22   49                                       
CONECT   13   27   25   25   14                                       
CONECT   14   13   15   24   50                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   23   26   26                                       
CONECT   17   23   18   53   54                                       
CONECT   18    9   17   55   56                                       
CONECT   19    9   10   23   57                                       
CONECT   20   10   11   11   58                                       
CONECT   21   11   22   22   59                                       
CONECT   22   12   21   21   60                                       
CONECT   23   16   17   19                                            
CONECT   24    7   14   61                                            
CONECT   25   13   13                                                 
CONECT   26   16   16                                                 
CONECT   27   28   13   62                                            
CONECT   28   31   29   27   63                                       
CONECT   29   28   41   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   28   64   65   66                                       
CONECT   32   33   41   67   68                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   69                                       
CONECT   35   34   36   36   70                                       
CONECT   36   35   35   39   37                                       
CONECT   37   36   38   38   71                                       
CONECT   38   33   37   37   40                                       
CONECT   39   36                                                      
CONECT   40   38                                                      
CONECT   41   29   32   72                                            
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   41                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
