COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.878  -0.635  -3.763  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.074  -0.458  -4.949  1.00  0.00           O  
HETATM    3  O   UNL     1      -3.896  -1.002  -2.959  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.528  -0.447  -3.204  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.580  -0.088  -4.048  1.00  0.00           C  
HETATM    6  C   UNL     1       0.840   0.154  -3.607  1.00  0.00           C  
HETATM    7  C   UNL     1       0.993  -0.372  -2.173  1.00  0.00           C  
HETATM    8  N   UNL     1       2.191   0.202  -1.556  1.00  0.00           N  
HETATM    9  C   UNL     1       3.386  -0.400  -1.713  1.00  0.00           C  
HETATM   10  O   UNL     1       3.481  -1.382  -2.419  1.00  0.00           O  
HETATM   11  C   UNL     1       4.603   0.144  -1.012  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.256   0.053  -1.392  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.384  -0.660  -1.884  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.065  -0.254   0.070  1.00  0.00           C  
HETATM   15  O   UNL     1       0.246  -1.373   0.419  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.240   0.714   0.991  1.00  0.00           N  
HETATM   17  C   UNL     1       0.130   0.472   2.388  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.069  -0.106   3.141  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.687  -0.354   4.578  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.867   0.638   5.522  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.163  -1.578   4.952  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.517   0.410   6.840  1.00  0.00           C  
HETATM   23  C   UNL     1       0.190  -1.804   6.269  1.00  0.00           C  
HETATM   24  C   UNL     1       0.011  -0.811   7.213  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.801   2.008   0.596  1.00  0.00           C  
HETATM   26  C   UNL     1       0.307   2.889   0.016  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.238   4.295  -0.238  1.00  0.00           C  
HETATM   28  N   UNL     1       1.765  -0.557  -4.500  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.782  -1.125  -3.326  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.830   0.035  -5.091  1.00  0.00           H  
HETATM   31  H   UNL     1       1.055   1.222  -3.630  1.00  0.00           H  
HETATM   32  H   UNL     1       1.068  -1.460  -2.184  1.00  0.00           H  
HETATM   33  H   UNL     1       2.124   1.017  -1.034  1.00  0.00           H  
HETATM   34  H   UNL     1       5.484  -0.414  -1.326  1.00  0.00           H  
HETATM   35  H   UNL     1       4.729   1.196  -1.268  1.00  0.00           H  
HETATM   36  H   UNL     1       4.476   0.046   0.065  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.418   1.124  -1.520  1.00  0.00           H  
HETATM   38  H   UNL     1       0.959  -0.234   2.426  1.00  0.00           H  
HETATM   39  H   UNL     1       0.432   1.411   2.851  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.897   0.601   3.102  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.370  -1.045   2.677  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.280   1.592   5.231  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.024  -2.354   4.214  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.656   1.186   7.578  1.00  0.00           H  
HETATM   45  H   UNL     1       0.603  -2.758   6.560  1.00  0.00           H  
HETATM   46  H   UNL     1       0.285  -0.989   8.243  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.235   2.497   1.468  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.573   1.854  -0.156  1.00  0.00           H  
HETATM   49  H   UNL     1       0.659   2.460  -0.921  1.00  0.00           H  
HETATM   50  H   UNL     1       1.135   2.944   0.724  1.00  0.00           H  
HETATM   51  H   UNL     1       0.571   4.945  -0.568  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.006   4.251  -1.011  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.670   4.689   0.680  1.00  0.00           H  
HETATM   54  H   UNL     1       1.612  -0.191  -5.427  1.00  0.00           H  
HETATM   55  H   UNL     1       2.698  -0.282  -4.230  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   29                                                 
CONECT    4    1    5    5   13                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7   28   31                                       
CONECT    7    6    8   12   32                                       
CONECT    8    7    9   33                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   34   35   36                                       
CONECT   12    7   13   14   37                                       
CONECT   13    4   12                                                 
CONECT   14   12   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   25                                            
CONECT   17   16   18   38   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   22   42                                       
CONECT   21   19   23   23   43                                       
CONECT   22   20   24   24   44                                       
CONECT   23   21   21   24   45                                       
CONECT   24   22   22   23   46                                       
CONECT   25   16   26   47   48                                       
CONECT   26   25   27   49   50                                       
CONECT   27   26   51   52   53                                       
CONECT   28    6   54   55                                            
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
