COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.281   3.519  -1.139  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.149   2.413  -0.879  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.590   2.905  -0.631  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.575   4.269  -0.205  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.174   2.013   0.477  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.402   1.264  -0.045  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.003   0.530   1.023  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.068   1.009   0.864  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.754   1.712   0.444  1.00  0.00           C  
HETATM   10  N   UNL     1       0.310   0.731   0.214  1.00  0.00           N  
HETATM   11  C   UNL     1       1.630   1.128   0.235  1.00  0.00           C  
HETATM   12  N   UNL     1       1.955   2.408   0.359  1.00  0.00           N  
HETATM   13  C   UNL     1       3.218   2.802   0.381  1.00  0.00           C  
HETATM   14  N   UNL     1       4.227   1.968   0.282  1.00  0.00           N  
HETATM   15  C   UNL     1       4.010   0.650   0.152  1.00  0.00           C  
HETATM   16  C   UNL     1       2.674   0.181   0.130  1.00  0.00           C  
HETATM   17  C   UNL     1       5.063  -0.266   0.044  1.00  0.00           C  
HETATM   18  C   UNL     1       4.795  -1.597  -0.087  1.00  0.00           C  
HETATM   19  C   UNL     1       3.487  -2.067  -0.116  1.00  0.00           C  
HETATM   20  C   UNL     1       2.423  -1.195   0.001  1.00  0.00           C  
HETATM   21  O   UNL     1       1.149  -1.661  -0.027  1.00  0.00           O  
HETATM   22  C   UNL     1       0.977  -3.073  -0.161  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.494  -3.401  -0.172  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.185  -3.437  -1.369  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.534  -3.738  -1.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.192  -4.004  -0.194  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.501  -3.969   1.003  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.151  -3.672   1.013  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.518   4.029  -1.925  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.125   1.707  -1.710  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.181   2.806  -1.542  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.451   2.444   1.193  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.198   4.880  -0.853  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.447   2.620   1.341  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.121   1.979  -0.444  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.099   0.575  -0.834  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.077   0.827   1.939  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.193   0.075   0.317  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.789   0.029   0.764  1.00  0.00           H  
HETATM   40  H   UNL     1       0.085  -0.198   0.047  1.00  0.00           H  
HETATM   41  H   UNL     1       3.428   3.856   0.484  1.00  0.00           H  
HETATM   42  H   UNL     1       6.086   0.080   0.063  1.00  0.00           H  
HETATM   43  H   UNL     1       5.613  -2.298  -0.170  1.00  0.00           H  
HETATM   44  H   UNL     1       3.302  -3.126  -0.220  1.00  0.00           H  
HETATM   45  H   UNL     1       1.431  -3.408  -1.093  1.00  0.00           H  
HETATM   46  H   UNL     1       1.455  -3.579   0.678  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.671  -3.229  -2.296  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.611  -3.649   1.948  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.074  -3.765  -2.315  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.247  -4.238  -0.202  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.016  -4.176   1.930  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    9   30                                       
CONECT    3    2    4    5   31                                       
CONECT    4    3   33                                                 
CONECT    5    3    6    8   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6   39                                                 
CONECT    8    5    9   37   38                                       
CONECT    9    2    8   10   32                                       
CONECT   10    9   11   40                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   41                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   17                                       
CONECT   16   11   11   15   20                                       
CONECT   17   15   18   18   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   20   20   44                                       
CONECT   20   16   19   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   45   46                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   28   51                                       
CONECT   28   23   23   27   48                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    9                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
