COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -3.416   2.459   0.472  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.086   2.604   0.582  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.608   3.032   1.606  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.189   2.234  -0.571  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.053   3.159  -0.644  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.602   0.862  -0.352  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.165  -0.400  -0.205  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.557  -0.891  -0.205  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.793  -0.266  -0.352  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.949  -1.016  -0.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.884  -2.387  -0.110  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.667  -3.018   0.037  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.489  -2.278  -0.009  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.159  -2.637   0.106  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.350  -1.525  -0.008  1.00  0.00           C  
HETATM   16  C   UNL     1       1.043  -1.372   0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       1.605  -0.103  -0.110  1.00  0.00           C  
HETATM   18  C   UNL     1       0.778   1.026  -0.306  1.00  0.00           C  
HETATM   19  C   UNL     1       1.082   2.456  -0.490  1.00  0.00           C  
HETATM   20  O   UNL     1       2.201   2.932  -0.502  1.00  0.00           O  
HETATM   21  N   UNL     1       2.067  -2.287   0.216  1.00  0.00           N  
HETATM   22  C   UNL     1       3.290  -1.646   0.187  1.00  0.00           C  
HETATM   23  C   UNL     1       3.064  -0.275  -0.014  1.00  0.00           C  
HETATM   24  C   UNL     1       4.597  -2.109   0.317  1.00  0.00           C  
HETATM   25  C   UNL     1       5.651  -1.226   0.246  1.00  0.00           C  
HETATM   26  C   UNL     1       5.426   0.128   0.047  1.00  0.00           C  
HETATM   27  C   UNL     1       4.141   0.607  -0.084  1.00  0.00           C  
HETATM   28  HXT UNL     1      -3.950   2.710   1.238  1.00  0.00           H  
HETATM   29  HA  UNL     1      -1.751   2.257  -1.505  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.111   4.118  -0.781  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.846   0.802  -0.503  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.908  -0.534  -0.418  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.795  -2.966  -0.073  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.628  -4.087   0.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.839  -3.542   0.247  1.00  0.00           H  
HETATM   36  H   UNL     1       1.944  -3.241   0.342  1.00  0.00           H  
HETATM   37  H   UNL     1       4.784  -3.162   0.472  1.00  0.00           H  
HETATM   38  H   UNL     1       6.663  -1.591   0.347  1.00  0.00           H  
HETATM   39  H   UNL     1       6.262   0.811  -0.005  1.00  0.00           H  
HETATM   40  H   UNL     1       3.969   1.662  -0.239  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    5    2   29                                       
CONECT    5   19    4   30                                            
CONECT    6   18   18    7    4                                       
CONECT    7   15   15    6    8                                       
CONECT    8    7   13    9    9                                       
CONECT    9    8    8   10   31                                       
CONECT   10   11   11    9   32                                       
CONECT   11   12   10   10   33                                       
CONECT   12   13   13   11   34                                       
CONECT   13   14   12   12    8                                       
CONECT   14   15   13   35                                            
CONECT   15   16   14    7    7                                       
CONECT   16   21   17   17   15                                       
CONECT   17   23   16   16   18                                       
CONECT   18   17   19    6    6                                       
CONECT   19   20   20   18    5                                       
CONECT   20   19   19                                                 
CONECT   21   22   16   36                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22   27   17                                       
CONECT   24   25   25   22   37                                       
CONECT   25   24   24   26   38                                       
CONECT   26   25   27   27   39                                       
CONECT   27   26   26   23   40                                       
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   21                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
