COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.795   0.665  -2.698  1.00  0.00           O  
HETATM    2  C   UNL     1       3.310   0.322  -1.637  1.00  0.00           C  
HETATM    3  N   UNL     1       3.610   0.995  -0.509  1.00  0.00           N  
HETATM    4  C   UNL     1       4.521   2.141  -0.561  1.00  0.00           C  
HETATM    5  C   UNL     1       4.689   2.712   0.824  1.00  0.00           C  
HETATM    6  N   UNL     1       3.873   3.606   1.420  1.00  0.00           N  
HETATM    7  N   UNL     1       4.384   3.872   2.697  1.00  0.00           N  
HETATM    8  C   UNL     1       5.470   3.161   2.859  1.00  0.00           C  
HETATM    9  C   UNL     1       5.682   2.416   1.694  1.00  0.00           C  
HETATM   10  C   UNL     1       2.386  -0.830  -1.586  1.00  0.00           C  
HETATM   11  C   UNL     1       2.068  -1.527  -2.756  1.00  0.00           C  
HETATM   12  F   UNL     1       2.604  -1.150  -3.937  1.00  0.00           F  
HETATM   13  C   UNL     1       1.831  -1.231  -0.369  1.00  0.00           C  
HETATM   14  C   UNL     1       0.970  -2.306  -0.328  1.00  0.00           C  
HETATM   15  C   UNL     1       0.653  -2.990  -1.490  1.00  0.00           C  
HETATM   16  C   UNL     1       1.202  -2.604  -2.698  1.00  0.00           C  
HETATM   17  C   UNL     1       0.371  -2.740   0.985  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.155  -2.652   0.905  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.760  -3.151   2.220  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.343  -4.539   2.456  1.00  0.00           N  
HETATM   21  C   UNL     1       0.116  -4.641   2.583  1.00  0.00           C  
HETATM   22  C   UNL     1       0.778  -4.186   1.280  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.572  -1.199   0.671  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.987  -1.133   0.480  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.524   0.096   0.258  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.890   0.231   0.065  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.437   1.483  -0.161  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.725   1.882  -0.376  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.630   3.201  -0.946  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.384   3.707  -0.430  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.613   2.605  -0.194  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.248   2.465  -0.001  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.705   1.215   0.230  1.00  0.00           C  
HETATM   34  H   UNL     1       3.223   0.721   0.337  1.00  0.00           H  
HETATM   35  H   UNL     1       5.491   1.818  -0.940  1.00  0.00           H  
HETATM   36  H   UNL     1       4.109   2.904  -1.221  1.00  0.00           H  
HETATM   37  H   UNL     1       3.073   3.996   1.033  1.00  0.00           H  
HETATM   38  H   UNL     1       6.093   3.147   3.741  1.00  0.00           H  
HETATM   39  H   UNL     1       6.497   1.729   1.519  1.00  0.00           H  
HETATM   40  H   UNL     1       2.077  -0.700   0.539  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.022  -3.832  -1.451  1.00  0.00           H  
HETATM   42  H   UNL     1       0.950  -3.142  -3.601  1.00  0.00           H  
HETATM   43  H   UNL     1       0.732  -2.090   1.782  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.513  -3.270   0.082  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.412  -2.523   3.040  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.847  -3.103   2.161  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.686  -5.148   1.728  1.00  0.00           H  
HETATM   48  H   UNL     1       0.455  -4.006   3.402  1.00  0.00           H  
HETATM   49  H   UNL     1       0.392  -5.675   2.788  1.00  0.00           H  
HETATM   50  H   UNL     1       0.451  -4.829   0.463  1.00  0.00           H  
HETATM   51  H   UNL     1       1.862  -4.247   1.382  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.294  -0.597   1.536  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.068  -0.815  -0.216  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.528  -0.640   0.091  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.599   3.146  -2.034  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.608   3.335  -0.027  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.641   1.109   0.380  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.464   3.821  -0.618  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   10    3    1    1                                       
CONECT    3    4    2   34                                            
CONECT    4    3    5   35   36                                       
CONECT    5    4    6    9    9                                       
CONECT    6    5    7   37                                            
CONECT    7    6    8    8                                            
CONECT    8    7    7    9   38                                       
CONECT    9    5    5    8   39                                       
CONECT   10   13    2   11   11                                       
CONECT   11   10   10   16   12                                       
CONECT   12   11                                                      
CONECT   13   14   14   10   40                                       
CONECT   14   17   13   13   15                                       
CONECT   15   14   16   16   41                                       
CONECT   16   15   15   11   42                                       
CONECT   17   22   18   14   43                                       
CONECT   18   19   23   17   44                                       
CONECT   19   20   18   45   46                                       
CONECT   20   21   19   47                                            
CONECT   21   20   22   48   49                                       
CONECT   22   21   17   50   51                                       
CONECT   23   18   24   52   53                                       
CONECT   24   23   25                                                 
CONECT   25   33   24   26   26                                       
CONECT   26   25   25   27   54                                       
CONECT   27   31   31   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   30   28   55   58                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   27   27                                       
CONECT   32   33   33   31   56                                       
CONECT   33   32   32   25   57                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
