COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.557  -1.182   0.138  1.00  0.00           C  
HETATM    2  C   UNL     1       8.058  -0.030  -0.440  1.00  0.00           C  
HETATM    3  C   UNL     1       7.249   1.083  -0.577  1.00  0.00           C  
HETATM    4  N   UNL     1       1.013   0.621   0.195  1.00  0.00           N  
HETATM    5  C   UNL     1       5.939   1.043  -0.138  1.00  0.00           C  
HETATM    6  C   UNL     1       1.665  -0.558   0.220  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.635   0.069  -0.083  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.385   0.836   0.599  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.302   0.023  -0.277  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.527  -0.721  -0.935  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.956  -0.494  -0.513  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.843   0.018   0.728  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.702   0.530  -1.083  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.009   0.704  -0.668  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.531  -0.147   0.301  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.788  -1.112   0.821  1.00  0.00           N  
HETATM   17  O   UNL     1       1.093  -1.560   0.596  1.00  0.00           O  
HETATM   18  C   UNL     1       3.105  -0.632  -0.218  1.00  0.00           C  
HETATM   19  C   UNL     1       4.010  -0.151   0.918  1.00  0.00           C  
HETATM   20  C   UNL     1       5.438  -0.108   0.439  1.00  0.00           C  
HETATM   21  C   UNL     1       6.247  -1.221   0.577  1.00  0.00           C  
HETATM   22  N   UNL     1       3.442  -2.021  -0.558  1.00  0.00           N  
HETATM   23  C   UNL     1       1.584   1.910  -0.236  1.00  0.00           C  
HETATM   24  C   UNL     1       0.725   2.983   0.479  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.685   2.340   0.428  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.842  -0.672  -1.158  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.539  -1.305   0.440  1.00  0.00           C  
HETATM   28  H   UNL     1       8.187  -2.053   0.241  1.00  0.00           H  
HETATM   29  H   UNL     1       9.082   0.001  -0.783  1.00  0.00           H  
HETATM   30  H   UNL     1       7.641   1.983  -1.027  1.00  0.00           H  
HETATM   31  H   UNL     1       5.307   1.913  -0.245  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.004   0.625   0.622  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.517   0.548   1.642  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.402  -0.416  -1.974  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.283  -1.779  -0.835  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.391   0.723   0.351  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.211  -0.573   1.404  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.270   1.175  -1.834  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.617   1.490  -1.090  1.00  0.00           H  
HETATM   40  H   UNL     1       3.251   0.002  -1.093  1.00  0.00           H  
HETATM   41  H   UNL     1       3.701   0.846   1.230  1.00  0.00           H  
HETATM   42  H   UNL     1       3.929  -0.837   1.761  1.00  0.00           H  
HETATM   43  H   UNL     1       5.855  -2.121   1.029  1.00  0.00           H  
HETATM   44  H   UNL     1       3.315  -2.629   0.236  1.00  0.00           H  
HETATM   45  H   UNL     1       2.903  -2.341  -1.349  1.00  0.00           H  
HETATM   46  H   UNL     1       2.625   1.987   0.078  1.00  0.00           H  
HETATM   47  H   UNL     1       1.505   2.017  -1.318  1.00  0.00           H  
HETATM   48  H   UNL     1       1.051   3.122   1.509  1.00  0.00           H  
HETATM   49  H   UNL     1       0.745   3.926  -0.067  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.164   2.530  -0.533  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.303   2.705   1.247  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.963  -2.102   0.886  1.00  0.00           H  
CONECT    1   21   21    2   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    5   30                                       
CONECT    4    8    6   23                                            
CONECT    5   20   20    3   31                                       
CONECT    6   17   17    4   18                                       
CONECT    7    9   10   32                                            
CONECT    8   25    9    4   33                                       
CONECT    9   26   26    8    7                                       
CONECT   10   11    7   34   35                                       
CONECT   11   27   27   13   10                                       
CONECT   12   15   36   37                                            
CONECT   13   14   14   11   38                                       
CONECT   14   15   13   13   39                                       
CONECT   15   12   16   16   14                                       
CONECT   16   15   15   27                                            
CONECT   17    6    6                                                 
CONECT   18    6   19   22   40                                       
CONECT   19   20   18   41   42                                       
CONECT   20   21   19    5    5                                       
CONECT   21    1    1   20   43                                       
CONECT   22   18   44   45                                            
CONECT   23   24    4   46   47                                       
CONECT   24   25   23   48   49                                       
CONECT   25    8   24   50   51                                       
CONECT   26    9    9                                                 
CONECT   27   16   11   11   52                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
