COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.676  -0.677  -0.381  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.410   0.016   0.573  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.311   0.181   1.554  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.066   0.693   0.661  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.263   2.209   0.730  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.249   0.347  -0.557  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.085  -0.279  -0.420  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.286  -0.616  -1.608  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.078  -1.150  -1.467  1.00  0.00           C  
HETATM   10  C   UNL     1       0.686  -1.616  -2.680  1.00  0.00           C  
HETATM   11  C   UNL     1       0.529  -1.290  -0.095  1.00  0.00           C  
HETATM   12  C   UNL     1       1.325  -2.608   0.008  1.00  0.00           C  
HETATM   13  N   UNL     1       2.507  -2.268   0.841  1.00  0.00           N  
HETATM   14  CA  UNL     1       2.903  -0.914   0.377  1.00  0.00           C  
HETATM   15  C   UNL     1       3.719  -0.214   1.433  1.00  0.00           C  
HETATM   16  O   UNL     1       3.474  -0.393   2.603  1.00  0.00           O  
HETATM   17  OXT UNL     1       4.718   0.608   1.075  1.00  0.00           O  
HETATM   18  C   UNL     1       1.565  -0.173   0.149  1.00  0.00           C  
HETATM   19  C   UNL     1       1.664   0.739  -1.075  1.00  0.00           C  
HETATM   20  C   UNL     1       2.628   1.861  -0.788  1.00  0.00           C  
HETATM   21  O   UNL     1       3.023   2.676  -1.779  1.00  0.00           O  
HETATM   22  O   UNL     1       3.045   2.028   0.333  1.00  0.00           O  
HETATM   23  H   UNL     1      -7.173  -0.253   1.497  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.546   0.353   1.557  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.784   2.549  -0.166  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.855   2.459   1.611  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.292   2.699   0.794  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.609   0.609  -1.541  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.725  -0.540   0.565  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.683  -0.430  -2.596  1.00  0.00           H  
HETATM   31  H   UNL     1       0.137  -1.345  -3.582  1.00  0.00           H  
HETATM   32  H   UNL     1       1.667  -1.141  -2.696  1.00  0.00           H  
HETATM   33  H   UNL     1       0.807  -2.698  -2.639  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.250  -1.257   0.667  1.00  0.00           H  
HETATM   35  H   UNL     1       0.725  -3.378   0.494  1.00  0.00           H  
HETATM   36  H   UNL     1       1.640  -2.940  -0.982  1.00  0.00           H  
HETATM   37  H   UNL     1       3.246  -2.897   0.566  1.00  0.00           H  
HETATM   38  HA  UNL     1       3.465  -0.980  -0.554  1.00  0.00           H  
HETATM   39  HXT UNL     1       5.241   1.057   1.753  1.00  0.00           H  
HETATM   40  H   UNL     1       1.298   0.407   1.032  1.00  0.00           H  
HETATM   41  H   UNL     1       2.020   0.163  -1.929  1.00  0.00           H  
HETATM   42  H   UNL     1       0.681   1.153  -1.300  1.00  0.00           H  
HETATM   43  H   UNL     1       3.642   3.396  -1.595  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   23                                                 
CONECT    4    2    5    6   24                                       
CONECT    5    4   25   26   27                                       
CONECT    6    4    7    7   28                                       
CONECT    7    6    6    8   29                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   31   32   33                                       
CONECT   11    9   12   18   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   37                                            
CONECT   14   13   15   18   38                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   39                                                 
CONECT   18   11   14   19   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   43                                                 
CONECT   22   20   20                                                 
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
