COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.441   0.851  -0.052  1.00  0.00           N  
HETATM    2  C   UNL     1       4.567  -0.496  -0.090  1.00  0.00           C  
HETATM    3  O   UNL     1       5.647  -1.028   0.010  1.00  0.00           O  
HETATM    4  C   UNL     1       3.220   1.451  -0.158  1.00  0.00           C  
HETATM    5  C   UNL     1       0.723  -1.218  -0.545  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.530  -0.630  -0.551  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.884  -1.433  -0.805  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.203  -0.104  -1.494  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.722   0.062  -1.598  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.116   0.876   0.242  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.597   0.781   1.630  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.479   1.664   2.090  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.990  -1.278   0.530  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.468  -1.429   0.610  1.00  0.00           C  
HETATM   15  C   UNL     1       3.447   2.834  -0.081  1.00  0.00           C  
HETATM   16  C   UNL     1       0.531  -2.606  -0.740  1.00  0.00           C  
HETATM   17  C   UNL     1       2.455   3.864  -0.146  1.00  0.00           C  
HETATM   18  C   UNL     1       4.839   3.018   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1       3.301  -1.313  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1       3.181  -2.261   0.933  1.00  0.00           C  
HETATM   21  C   UNL     1       4.318  -3.283   0.890  1.00  0.00           C  
HETATM   22  C   UNL     1       3.266  -1.457   2.232  1.00  0.00           C  
HETATM   23  C   UNL     1       2.008  -0.530  -0.375  1.00  0.00           C  
HETATM   24  N   UNL     1       2.068   0.773  -0.306  1.00  0.00           N  
HETATM   25  N   UNL     1       1.668   4.682  -0.197  1.00  0.00           N  
HETATM   26  N   UNL     1       5.413   1.850   0.095  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.432  -1.609  -0.734  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.306  -0.078  -0.257  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.750  -2.826  -0.849  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.451   1.815  -0.454  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.744   0.422  -0.430  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.322  -2.251  -1.376  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.787   0.717  -0.910  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.767  -0.098  -2.493  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.956   1.048  -1.997  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.129  -0.707  -2.255  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.233  -0.005   2.275  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.843   2.450   1.445  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.831   1.594   3.108  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.419  -2.156   0.046  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.401  -1.178   1.534  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.220  -2.366   1.108  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.049  -0.595   1.173  1.00  0.00           H  
HETATM   44  H   UNL     1       1.309  -3.353  -0.791  1.00  0.00           H  
HETATM   45  H   UNL     1       5.342   3.970   0.162  1.00  0.00           H  
HETATM   46  H   UNL     1       3.408  -1.918  -1.162  1.00  0.00           H  
HETATM   47  H   UNL     1       2.223  -2.780   0.889  1.00  0.00           H  
HETATM   48  H   UNL     1       4.319  -3.785  -0.078  1.00  0.00           H  
HETATM   49  H   UNL     1       5.270  -2.773   1.035  1.00  0.00           H  
HETATM   50  H   UNL     1       4.175  -4.019   1.681  1.00  0.00           H  
HETATM   51  H   UNL     1       2.456  -0.729   2.263  1.00  0.00           H  
HETATM   52  H   UNL     1       3.180  -2.133   3.083  1.00  0.00           H  
HETATM   53  H   UNL     1       4.224  -0.938   2.276  1.00  0.00           H  
CONECT    1    4    2   26                                            
CONECT    2   19    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4   24   15   15    1                                       
CONECT    5   16    6    6   23                                       
CONECT    6   27    5    5   31                                       
CONECT    7    8   14   27   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   28   35   36                                       
CONECT   10   11   30   30   28                                       
CONECT   11   12   12   10   37                                       
CONECT   12   11   11   38   39                                       
CONECT   13   14   28   40   41                                       
CONECT   14    7   13   42   43                                       
CONECT   15   17    4    4   18                                       
CONECT   16   29   29    5   44                                       
CONECT   17   25   25   25   15                                       
CONECT   18   15   26   26   45                                       
CONECT   19   23   20    2   46                                       
CONECT   20   21   19   22   47                                       
CONECT   21   20   48   49   50                                       
CONECT   22   20   51   52   53                                       
CONECT   23    5   24   24   19                                       
CONECT   24   23   23    4                                            
CONECT   25   17   17   17                                            
CONECT   26    1   18   18                                            
CONECT   27    7   29    6                                            
CONECT   28   10    9   13                                            
CONECT   29   27   16   16                                            
CONECT   30   10   10                                                 
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
