COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.201  -0.963  10.698  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.098  -0.705   9.369  1.00  0.00           C  
HETATM    3  C   UNL     1       1.151  -0.678   8.763  1.00  0.00           C  
HETATM    4  C   UNL     1       1.259  -0.417   7.414  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.244  -0.476   8.617  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.144  -0.210   7.269  1.00  0.00           C  
HETATM    7  C   UNL     1       0.110  -0.181   6.656  1.00  0.00           C  
HETATM    8  C   UNL     1       0.221   0.098   5.209  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.627  -0.378   4.247  1.00  0.00           N  
HETATM   10  N   UNL     1       1.146   0.845   4.655  1.00  0.00           N  
HETATM   11  C   UNL     1       0.955   0.886   3.314  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.183   0.108   3.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.622  -0.026   1.726  1.00  0.00           C  
HETATM   14  C   UNL     1       1.636   1.520   2.268  1.00  0.00           C  
HETATM   15  C   UNL     1       1.198   1.382   0.985  1.00  0.00           C  
HETATM   16  C   UNL     1       0.067   0.610   0.699  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.397   0.470  -0.701  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.766   0.492  -0.987  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.207   0.364  -2.271  1.00  0.00           C  
HETATM   20  C   UNL     1       0.530   0.322  -1.728  1.00  0.00           C  
HETATM   21  C   UNL     1       0.089   0.186  -3.034  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.289   0.208  -3.316  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.425   0.061  -4.656  1.00  0.00           N  
HETATM   24  N   UNL     1       0.728   0.021  -4.248  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.242  -0.049  -5.210  1.00  0.00           C  
HETATM   26  C   UNL     1       0.005  -0.224  -6.657  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.758   0.481  -7.588  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.524   0.315  -8.936  1.00  0.00           C  
HETATM   29  C   UNL     1       1.007  -1.092  -7.095  1.00  0.00           C  
HETATM   30  C   UNL     1       1.232  -1.256  -8.444  1.00  0.00           C  
HETATM   31  C   UNL     1       0.470  -0.552  -9.368  1.00  0.00           C  
HETATM   32  O   UNL     1       0.698  -0.713 -10.697  1.00  0.00           O  
HETATM   33  H   UNL     1      -0.154  -0.110  11.152  1.00  0.00           H  
HETATM   34  H   UNL     1       2.039  -0.860   9.350  1.00  0.00           H  
HETATM   35  H   UNL     1       2.231  -0.396   6.943  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.214  -0.499   9.092  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.034  -0.027   6.686  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.397  -0.951   4.391  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.495  -0.622   1.505  1.00  0.00           H  
HETATM   40  H   UNL     1       2.511   2.118   2.478  1.00  0.00           H  
HETATM   41  H   UNL     1       1.728   1.873   0.182  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.479   0.611  -0.185  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.266   0.382  -2.481  1.00  0.00           H  
HETATM   44  H   UNL     1       1.587   0.311  -1.507  1.00  0.00           H  
HETATM   45  H   UNL     1       1.686  -0.032  -4.391  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.532   1.156  -7.253  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.114   0.861  -9.657  1.00  0.00           H  
HETATM   48  H   UNL     1       1.600  -1.640  -6.377  1.00  0.00           H  
HETATM   49  H   UNL     1       2.004  -1.931  -8.784  1.00  0.00           H  
HETATM   50  H   UNL     1       1.359  -0.053 -10.949  1.00  0.00           H  
CONECT    1    2   33                                                 
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   34                                       
CONECT    4    3    7    7   35                                       
CONECT    5    2    6    6   36                                       
CONECT    6    5    5    7   37                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   12   38                                            
CONECT   10    8    8   11                                            
CONECT   11   10   12   12   14                                       
CONECT   12    9   11   11   13                                       
CONECT   13   12   16   16   39                                       
CONECT   14   11   15   15   40                                       
CONECT   15   14   14   16   41                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   22   43                                       
CONECT   20   17   17   21   44                                       
CONECT   21   20   22   22   24                                       
CONECT   22   19   21   21   23                                       
CONECT   23   22   25   25                                            
CONECT   24   21   25   45                                            
CONECT   25   23   23   24   26                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26   28   46                                       
CONECT   28   27   31   31   47                                       
CONECT   29   26   30   30   48                                       
CONECT   30   29   29   31   49                                       
CONECT   31   28   28   30   32                                       
CONECT   32   31   50                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
