COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.834   2.836  -0.670  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.142   1.854  -0.058  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.963   1.220  -0.750  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.360   0.143   0.154  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.210  -0.475  -0.520  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.637  -1.218  -1.713  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.464  -1.342   0.401  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.147  -1.767  -0.252  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.293  -0.623  -0.420  1.00  0.00           O  
HETATM   10  C   UNL     1       1.064  -1.081  -0.242  1.00  0.00           C  
HETATM   11  N   UNL     1       1.944   0.037   0.109  1.00  0.00           N  
HETATM   12  C   UNL     1       3.194   0.278  -0.403  1.00  0.00           C  
HETATM   13  N   UNL     1       3.978  -0.327  -1.289  1.00  0.00           N  
HETATM   14  C   UNL     1       5.165   0.162  -1.580  1.00  0.00           C  
HETATM   15  N   UNL     1       5.635   1.261  -1.018  1.00  0.00           N  
HETATM   16  C   UNL     1       4.924   1.934  -0.120  1.00  0.00           C  
HETATM   17  N   UNL     1       5.426   3.083   0.464  1.00  0.00           N  
HETATM   18  C   UNL     1       3.650   1.450   0.224  1.00  0.00           C  
HETATM   19  N   UNL     1       2.672   1.857   1.069  1.00  0.00           N  
HETATM   20  C   UNL     1       1.668   1.032   0.999  1.00  0.00           C  
HETATM   21  C   UNL     1       0.957  -2.081   0.937  1.00  0.00           C  
HETATM   22  O   UNL     1       2.021  -3.034   0.896  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.406  -2.762   0.661  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.215  -4.010  -0.009  1.00  0.00           O  
HETATM   25  C   UNL     1       0.390   1.157   1.788  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.469   1.481   1.048  1.00  0.00           O  
HETATM   27  H   UNL     1      -6.573   3.134  -1.555  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.595   3.241  -0.226  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.290   0.768  -1.686  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.211   1.982  -0.958  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.032   0.595   1.090  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.112  -0.619   0.362  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.126  -0.537  -2.410  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.766  -1.666  -2.193  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.335  -2.003  -1.422  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.253  -0.798   1.322  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.058  -2.227   0.630  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.346  -2.227  -1.220  1.00  0.00           H  
HETATM   39  H   UNL     1       1.422  -1.581  -1.142  1.00  0.00           H  
HETATM   40  H   UNL     1       5.777  -0.354  -2.305  1.00  0.00           H  
HETATM   41  H   UNL     1       6.307   3.407   0.219  1.00  0.00           H  
HETATM   42  H   UNL     1       4.897   3.566   1.119  1.00  0.00           H  
HETATM   43  H   UNL     1       0.944  -1.557   1.892  1.00  0.00           H  
HETATM   44  H   UNL     1       1.997  -3.682   1.613  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.955  -2.908   1.592  1.00  0.00           H  
HETATM   46  H   UNL     1       0.247  -4.674   0.521  1.00  0.00           H  
HETATM   47  H   UNL     1       0.494   0.625   2.733  1.00  0.00           H  
HETATM   48  H   UNL     1       0.185   2.209   1.983  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.433   0.726   1.217  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3   26   26                                       
CONECT    3    2    4   29   30                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4    6    7                                            
CONECT    6    5   33   34   35                                       
CONECT    7    5    8   36   37                                       
CONECT    8    7    9   23   38                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   21   39                                       
CONECT   11   10   12   20                                            
CONECT   12   11   13   13   18                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   18   18                                       
CONECT   17   16   41   42                                            
CONECT   18   12   16   16   19                                       
CONECT   19   18   20   20                                            
CONECT   20   11   19   19   25                                       
CONECT   21   10   22   23   43                                       
CONECT   22   21   44                                                 
CONECT   23    8   21   24   45                                       
CONECT   24   23   46                                                 
CONECT   25   20   47   48   49                                       
CONECT   26    2    2                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
