COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.447   0.533   1.860  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.760   0.098   0.768  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.920   0.478   0.198  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.423   0.026  -1.112  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.960   0.205  -1.030  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.078   1.514  -0.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.898   1.407   0.783  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.942  -0.759   0.125  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.678  -1.168   0.742  1.00  0.00           C  
HETATM   10  C   UNL     1       0.054  -2.137  -0.189  1.00  0.00           C  
HETATM   11  C   UNL     1       1.313  -2.661   0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       2.257  -1.491   0.792  1.00  0.00           C  
HETATM   13  C   UNL     1       0.455  -1.409  -1.474  1.00  0.00           C  
HETATM   14  C   UNL     1       1.423  -0.274  -1.131  1.00  0.00           C  
HETATM   15  N   UNL     1       2.612  -0.827  -0.469  1.00  0.00           N  
HETATM   16  C   UNL     1       3.569   0.158  -0.261  1.00  0.00           C  
HETATM   17  C   UNL     1       4.773  -0.169   0.357  1.00  0.00           C  
HETATM   18  C   UNL     1       5.717   0.821   0.558  1.00  0.00           C  
HETATM   19  N   UNL     1       3.331   1.399  -0.656  1.00  0.00           N  
HETATM   20  C   UNL     1       4.214   2.364  -0.478  1.00  0.00           C  
HETATM   21  C   UNL     1       5.425   2.111   0.133  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.011   0.644  -1.910  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.170  -1.022  -1.274  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.392   0.328  -2.023  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.423  -0.630  -0.505  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.963   2.386  -0.850  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.027   1.550   0.328  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.253   1.019   1.738  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.440   2.386   0.926  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.192  -1.106  -0.746  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.056  -0.289   0.912  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.880  -1.660   1.693  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.603  -2.973  -0.433  1.00  0.00           H  
HETATM   34  H   UNL     1       1.038  -3.144   1.444  1.00  0.00           H  
HETATM   35  H   UNL     1       1.813  -3.382  -0.141  1.00  0.00           H  
HETATM   36  H   UNL     1       1.761  -0.778   1.451  1.00  0.00           H  
HETATM   37  H   UNL     1       3.161  -1.863   1.274  1.00  0.00           H  
HETATM   38  H   UNL     1       0.941  -2.109  -2.153  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.434  -0.997  -1.952  1.00  0.00           H  
HETATM   40  H   UNL     1       1.722   0.237  -2.046  1.00  0.00           H  
HETATM   41  H   UNL     1       0.932   0.433  -0.463  1.00  0.00           H  
HETATM   42  H   UNL     1       4.966  -1.183   0.675  1.00  0.00           H  
HETATM   43  H   UNL     1       6.660   0.597   1.034  1.00  0.00           H  
HETATM   44  H   UNL     1       3.984   3.365  -0.814  1.00  0.00           H  
HETATM   45  H   UNL     1       6.141   2.907   0.275  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    8                                       
CONECT    3    4    7    2                                            
CONECT    4    5    3   22   23                                       
CONECT    5    4    6   24   25                                       
CONECT    6    5    7   26   27                                       
CONECT    7    6    3   28   29                                       
CONECT    8    2    9   30                                            
CONECT    9    8   10   31   32                                       
CONECT   10   13    9   11   33                                       
CONECT   11   10   12   34   35                                       
CONECT   12   15   11   36   37                                       
CONECT   13   14   10   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   12   16                                            
CONECT   16   15   19   19   17                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   21   43                                       
CONECT   19   16   16   20                                            
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   18   45                                       
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
