COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.908   1.841  -0.028  1.00  0.00           C  
HETATM    2  O   UNL     1       2.572   2.616   0.345  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.299  -0.438   0.009  1.00  0.00           C  
HETATM    4  O   UNL     1       0.916   4.040  -0.061  1.00  0.00           O  
HETATM    5  C   UNL     1       0.054  -0.723   0.131  1.00  0.00           C  
HETATM    6  C   UNL     1       0.966   0.325   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1       2.828  -1.294   0.257  1.00  0.00           C  
HETATM    8  C   UNL     1       4.350  -1.283   0.410  1.00  0.00           C  
HETATM    9  C   UNL     1       6.362  -0.490  -0.620  1.00  0.00           C  
HETATM   10  C   UNL     1       6.911  -1.918  -0.676  1.00  0.00           C  
HETATM   11  N   UNL     1       2.324   0.081   0.296  1.00  0.00           N  
HETATM   12  C   UNL     1       4.879  -2.719   0.364  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.497  -2.254   0.013  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.575  -1.207  -0.050  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.294   0.310  -0.136  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.215  -0.736  -0.067  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.620  -0.455  -0.069  1.00  0.00           C  
HETATM   18  C   UNL     1       1.388   2.792   0.135  1.00  0.00           C  
HETATM   19  C   UNL     1       1.879   5.125  -0.006  1.00  0.00           C  
HETATM   20  N   UNL     1       6.347  -2.698   0.435  1.00  0.00           N  
HETATM   21  C   UNL     1       0.470   1.644   0.093  1.00  0.00           C  
HETATM   22  O   UNL     1       4.933  -0.532  -0.658  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.731   0.816  -0.066  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.215  -1.479  -0.037  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.788  -1.997   0.001  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.000   0.049  -0.124  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.733  -0.232  -0.071  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.301   2.845  -0.087  1.00  0.00           H  
HETATM   29  H   UNL     1       0.394  -1.747   0.191  1.00  0.00           H  
HETATM   30  H   UNL     1       2.562  -1.751  -0.696  1.00  0.00           H  
HETATM   31  H   UNL     1       2.385  -1.866   1.071  1.00  0.00           H  
HETATM   32  H   UNL     1       4.617  -0.827   1.364  1.00  0.00           H  
HETATM   33  H   UNL     1       6.688  -0.011   0.304  1.00  0.00           H  
HETATM   34  H   UNL     1       6.733   0.076  -1.474  1.00  0.00           H  
HETATM   35  H   UNL     1       6.630  -2.379  -1.623  1.00  0.00           H  
HETATM   36  H   UNL     1       7.997  -1.894  -0.590  1.00  0.00           H  
HETATM   37  H   UNL     1       2.941   0.821   0.406  1.00  0.00           H  
HETATM   38  H   UNL     1       4.482  -3.280   1.211  1.00  0.00           H  
HETATM   39  H   UNL     1       4.566  -3.193  -0.566  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.151  -3.275   0.068  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.639   1.331  -0.192  1.00  0.00           H  
HETATM   42  H   UNL     1       2.353   5.141   0.976  1.00  0.00           H  
HETATM   43  H   UNL     1       2.639   4.976  -0.773  1.00  0.00           H  
HETATM   44  H   UNL     1       1.369   6.073  -0.179  1.00  0.00           H  
HETATM   45  H   UNL     1       6.661  -2.340   1.324  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.904  -2.398  -0.059  1.00  0.00           H  
CONECT    1   23   23   21   28                                       
CONECT    2   18   18                                                 
CONECT    3   23   24    5    5                                       
CONECT    4   19   18                                                 
CONECT    5    3    3    6   29                                       
CONECT    6   21   21    5   11                                       
CONECT    7   11    8   30   31                                       
CONECT    8    7   22   12   32                                       
CONECT    9   22   10   33   34                                       
CONECT   10    9   20   35   36                                       
CONECT   11    6    7   37                                            
CONECT   12    8   20   38   39                                       
CONECT   13   14   14   25   40                                       
CONECT   14   24   13   13   26                                       
CONECT   15   26   26   16   41                                       
CONECT   16   25   25   15   17                                       
CONECT   17   16   27   27   27                                       
CONECT   18    4   21    2    2                                       
CONECT   19    4   42   43   44                                       
CONECT   20   12   10   45                                            
CONECT   21    1   18    6    6                                       
CONECT   22    8    9                                                 
CONECT   23    1    1    3                                            
CONECT   24    3   14   46                                            
CONECT   25   13   16   16                                            
CONECT   26   14   15   15                                            
CONECT   27   17   17   17                                            
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
