COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.872  -1.015   0.278  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.550  -0.709   0.200  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.697  -1.511  -0.546  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.355  -1.203  -0.628  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.057   0.408   0.861  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.716   0.721   0.782  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.856  -0.085   0.039  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.414   0.248  -0.047  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.554  -0.560  -0.790  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.215  -0.251  -0.871  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.918   1.374   0.612  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.579   1.684   0.532  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.717   0.872  -0.207  1.00  0.00           C  
HETATM   14  C   UNL     1       0.721   1.205  -0.293  1.00  0.00           C  
HETATM   15  C   UNL     1       1.760   0.334  -0.157  1.00  0.00           C  
HETATM   16  C   UNL     1       2.130  -1.107   0.094  1.00  0.00           C  
HETATM   17  N   UNL     1       1.251   2.440  -0.529  1.00  0.00           N  
HETATM   18  N   UNL     1       2.646   2.317  -0.537  1.00  0.00           N  
HETATM   19  C   UNL     1       2.956   1.054  -0.307  1.00  0.00           C  
HETATM   20  C   UNL     1       4.107   0.127  -0.159  1.00  0.00           C  
HETATM   21  C   UNL     1       3.638  -1.162   0.076  1.00  0.00           C  
HETATM   22  C   UNL     1       4.526  -2.203   0.249  1.00  0.00           C  
HETATM   23  C   UNL     1       5.888  -1.970   0.189  1.00  0.00           C  
HETATM   24  C   UNL     1       5.483   0.353  -0.231  1.00  0.00           C  
HETATM   25  C   UNL     1       6.363  -0.692  -0.044  1.00  0.00           C  
HETATM   26  C   UNL     1       7.848  -0.446  -0.123  1.00  0.00           C  
HETATM   27  O   UNL     1       8.344  -0.109   1.175  1.00  0.00           O  
HETATM   28  H   UNL     1      -9.097  -1.599   1.015  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.084  -2.377  -1.062  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.692  -1.828  -1.208  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.724   1.033   1.436  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.333   1.591   1.296  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.939  -1.429  -1.304  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.549  -0.877  -1.446  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.585   2.002   1.184  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.195   2.556   1.042  1.00  0.00           H  
HETATM   37  H   UNL     1       1.754  -1.426   1.066  1.00  0.00           H  
HETATM   38  H   UNL     1       1.721  -1.741  -0.692  1.00  0.00           H  
HETATM   39  H   UNL     1       0.750   3.259  -0.668  1.00  0.00           H  
HETATM   40  H   UNL     1       4.157  -3.202   0.431  1.00  0.00           H  
HETATM   41  H   UNL     1       6.582  -2.787   0.324  1.00  0.00           H  
HETATM   42  H   UNL     1       5.857   1.349  -0.414  1.00  0.00           H  
HETATM   43  H   UNL     1       8.347  -1.346  -0.480  1.00  0.00           H  
HETATM   44  H   UNL     1       8.044   0.376  -0.811  1.00  0.00           H  
HETATM   45  H   UNL     1       9.295   0.063   1.200  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    5    5    3    1                                       
CONECT    3    4    4    2   29                                       
CONECT    4    7    3    3   30                                       
CONECT    5    6    2    2   31                                       
CONECT    6    7    7    5   32                                       
CONECT    7    8    6    6    4                                       
CONECT    8   11   11    9    7                                       
CONECT    9   10   10    8   33                                       
CONECT   10   13    9    9   34                                       
CONECT   11   12    8    8   35                                       
CONECT   12   13   13   11   36                                       
CONECT   13   14   12   12   10                                       
CONECT   14   17   15   15   13                                       
CONECT   15   19   14   14   16                                       
CONECT   16   15   21   37   38                                       
CONECT   17   18   14   39                                            
CONECT   18   17   19   19                                            
CONECT   19   18   18   20   15                                       
CONECT   20   24   19   21   21                                       
CONECT   21   20   20   22   16                                       
CONECT   22   23   23   21   40                                       
CONECT   23   25   22   22   41                                       
CONECT   24   25   25   20   42                                       
CONECT   25   26   24   24   23                                       
CONECT   26   27   25   43   44                                       
CONECT   27   26   45                                                 
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
