COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.303   0.461   0.356  1.00  0.00           C  
HETATM    2  C   UNL     1       1.104   0.751   1.445  1.00  0.00           C  
HETATM    3  C   UNL     1       2.454   0.462   1.410  1.00  0.00           C  
HETATM    4  C   UNL     1       0.849  -0.121  -0.775  1.00  0.00           C  
HETATM    5  C   UNL     1       2.197  -0.415  -0.820  1.00  0.00           C  
HETATM    6  C   UNL     1       3.008  -0.124   0.274  1.00  0.00           C  
HETATM    7  C   UNL     1       4.459  -0.437   0.230  1.00  0.00           C  
HETATM    8  C   UNL     1       5.130  -1.002  -0.814  1.00  0.00           C  
HETATM    9  C   UNL     1       5.393  -0.198   1.257  1.00  0.00           C  
HETATM   10  N   UNL     1       6.563  -0.608   0.844  1.00  0.00           N  
HETATM   11  N   UNL     1       6.424  -1.117  -0.453  1.00  0.00           N  
HETATM   12  C   UNL     1       7.500  -1.674  -1.277  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.067  -0.438  -0.354  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.275  -1.712  -0.053  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.322  -1.998   1.450  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.890  -2.887  -0.815  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.895  -1.535  -0.469  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.206  -0.534   0.112  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.742   0.171   0.943  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.920  -0.315  -0.229  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.170   0.773   0.403  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.434   2.060  -0.336  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.177   2.067  -1.295  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.846   3.203   0.070  1.00  0.00           N  
HETATM   25  O   UNL     1      -1.095   4.412  -0.623  1.00  0.00           O  
HETATM   26  H   UNL     1       0.674   1.206   2.325  1.00  0.00           H  
HETATM   27  H   UNL     1       3.078   0.690   2.261  1.00  0.00           H  
HETATM   28  H   UNL     1       0.219  -0.346  -1.622  1.00  0.00           H  
HETATM   29  H   UNL     1       2.622  -0.869  -1.703  1.00  0.00           H  
HETATM   30  H   UNL     1       4.703  -1.304  -1.759  1.00  0.00           H  
HETATM   31  H   UNL     1       5.180   0.246   2.217  1.00  0.00           H  
HETATM   32  H   UNL     1       7.957  -0.878  -1.865  1.00  0.00           H  
HETATM   33  H   UNL     1       8.253  -2.128  -0.633  1.00  0.00           H  
HETATM   34  H   UNL     1       7.090  -2.431  -1.946  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.102  -0.572  -0.042  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.628   0.399   0.189  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.033  -0.234  -1.424  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.358  -2.132   1.762  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.758  -2.906   1.664  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.884  -1.161   1.993  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.857  -2.684  -1.885  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.326  -3.795  -0.600  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.926  -3.021  -0.503  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.492  -0.878  -0.893  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.487   0.878   1.440  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.253   3.197   0.837  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.629   5.177  -0.259  1.00  0.00           H  
CONECT    1   21    2    2    4                                       
CONECT    2    1    1    3   26                                       
CONECT    3    2    6    6   27                                       
CONECT    4    1    5    5   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6    3    3    5    7                                       
CONECT    7    6    9    8    8                                       
CONECT    8    7    7   11   30                                       
CONECT    9    7   10   10   31                                       
CONECT   10    9    9   11                                            
CONECT   11    8   10   12                                            
CONECT   12   11   32   33   34                                       
CONECT   13   14   35   36   37                                       
CONECT   14   15   13   16   17                                       
CONECT   15   14   38   39   40                                       
CONECT   16   14   41   42   43                                       
CONECT   17   14   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   44                                            
CONECT   21   22   20    1   45                                       
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   46                                            
CONECT   25   24   47                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
