COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.819  -1.194   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       9.128  -0.830   0.552  1.00  0.00           C  
HETATM    3  C   UNL     1       9.458   0.502   0.731  1.00  0.00           C  
HETATM    4  C   UNL     1       8.479   1.478   0.674  1.00  0.00           C  
HETATM    5  C   UNL     1       7.166   1.130   0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       6.825  -0.213   0.255  1.00  0.00           C  
HETATM    7  N   UNL     1       5.526  -0.566   0.020  1.00  0.00           N  
HETATM    8  N   UNL     1       4.611   0.341  -0.035  1.00  0.00           N  
HETATM    9  C   UNL     1       3.313  -0.011  -0.270  1.00  0.00           C  
HETATM   10  C   UNL     1       2.320   0.973  -0.329  1.00  0.00           C  
HETATM   11  C   UNL     1       1.022   0.619  -0.564  1.00  0.00           C  
HETATM   12  C   UNL     1       2.976  -1.356  -0.457  1.00  0.00           C  
HETATM   13  C   UNL     1       1.678  -1.708  -0.692  1.00  0.00           C  
HETATM   14  C   UNL     1       0.686  -0.725  -0.745  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.718  -1.106  -0.999  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.660  -0.173  -1.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.093  -0.562  -1.309  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.980  -0.017  -0.188  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.964   1.490  -0.223  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.309   2.068  -1.058  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.676   2.190   0.674  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.413  -0.516  -0.384  1.00  0.00           C  
HETATM   23  CA  UNL     1      -6.274  -0.074   0.802  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.709  -0.458   0.552  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.168  -1.449   1.068  1.00  0.00           O  
HETATM   26  OXT UNL     1      -8.478   0.300  -0.246  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.797  -0.733   2.025  1.00  0.00           N  
HETATM   28  H   UNL     1       7.564  -2.233   0.171  1.00  0.00           H  
HETATM   29  H   UNL     1       9.898  -1.587   0.599  1.00  0.00           H  
HETATM   30  H   UNL     1      10.485   0.781   0.917  1.00  0.00           H  
HETATM   31  H   UNL     1       8.744   2.516   0.815  1.00  0.00           H  
HETATM   32  H   UNL     1       6.403   1.893   0.393  1.00  0.00           H  
HETATM   33  H   UNL     1       2.580   2.012  -0.188  1.00  0.00           H  
HETATM   34  H   UNL     1       0.256   1.379  -0.610  1.00  0.00           H  
HETATM   35  H   UNL     1       3.743  -2.116  -0.416  1.00  0.00           H  
HETATM   36  H   UNL     1       1.417  -2.746  -0.837  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.978  -2.145  -1.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.401   0.865  -0.904  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.415  -0.146  -2.263  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.174  -1.649  -1.340  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.604  -0.362   0.775  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.635   3.154   0.612  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.821  -0.098  -1.304  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.414  -1.604  -0.448  1.00  0.00           H  
HETATM   45  HA  UNL     1      -6.202   1.007   0.920  1.00  0.00           H  
HETATM   46  HXT UNL     1      -9.392   0.013  -0.376  1.00  0.00           H  
HETATM   47  H1  UNL     1      -5.853  -1.737   1.941  1.00  0.00           H  
HETATM   48  H2  UNL     1      -4.857  -0.441   2.250  1.00  0.00           H  
CONECT    1    6    6    2   28                                       
CONECT    2    1    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4    5    5    3   31                                       
CONECT    5    6    4    4   32                                       
CONECT    6    7    1    1    5                                       
CONECT    7    8    8    6                                            
CONECT    8    9    7    7                                            
CONECT    9   12   12   10    8                                       
CONECT   10   11   11    9   33                                       
CONECT   11   14   10   10   34                                       
CONECT   12   13    9    9   35                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   11                                       
CONECT   15   16   16   14   37                                       
CONECT   16   17   15   15   38                                       
CONECT   17   18   16   39   40                                       
CONECT   18   22   19   17   41                                       
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   42                                                 
CONECT   22   23   18   43   44                                       
CONECT   23   24   27   22   45                                       
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   24   46                                                 
CONECT   27   23   47   48                                            
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
