COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.552   1.257  -0.222  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.342   1.286   0.411  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.183   2.543   0.864  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.129   3.241   0.582  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.036   2.581  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.395   0.160   0.567  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.555  -1.091   0.109  1.00  0.00           N  
HETATM    8  N   UNL     1       0.492  -1.761   0.454  1.00  0.00           N  
HETATM    9  N   UNL     1       1.290  -0.987   1.102  1.00  0.00           N  
HETATM   10  N   UNL     1       0.774   0.191   1.179  1.00  0.00           N  
HETATM   11  C   UNL     1       2.586  -1.381   1.660  1.00  0.00           C  
HETATM   12  C   UNL     1       5.645  -0.729  -1.250  1.00  0.00           C  
HETATM   13  C   UNL     1       5.310   0.277  -0.363  1.00  0.00           C  
HETATM   14  C   UNL     1       4.320   0.065   0.579  1.00  0.00           C  
HETATM   15  C   UNL     1       3.666  -1.151   0.633  1.00  0.00           C  
HETATM   16  C   UNL     1       4.002  -2.157  -0.254  1.00  0.00           C  
HETATM   17  C   UNL     1       4.991  -1.946  -1.195  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.215   3.067  -0.555  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.215   0.090  -0.908  1.00  0.00           C  
HETATM   20  CA  UNL     1      -4.078  -0.670   0.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.836  -1.762  -0.610  1.00  0.00           C  
HETATM   22  OXT UNL     1      -5.953  -1.468  -1.294  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.438  -2.902  -0.564  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.218  -1.264   1.133  1.00  0.00           N  
HETATM   25  C   UNL     1       6.023   1.603  -0.421  1.00  0.00           C  
HETATM   26  N   UNL     1       5.305   2.504  -1.333  1.00  0.00           N  
HETATM   27  H   UNL     1       2.796  -0.785   2.548  1.00  0.00           H  
HETATM   28  H   UNL     1       2.560  -2.437   1.928  1.00  0.00           H  
HETATM   29  H   UNL     1       6.416  -0.562  -1.988  1.00  0.00           H  
HETATM   30  H   UNL     1       4.058   0.851   1.273  1.00  0.00           H  
HETATM   31  H   UNL     1       3.491  -3.107  -0.211  1.00  0.00           H  
HETATM   32  H   UNL     1       5.254  -2.731  -1.888  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.842   0.455  -1.721  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.451  -0.577  -1.308  1.00  0.00           H  
HETATM   35  HA  UNL     1      -4.784   0.017   0.567  1.00  0.00           H  
HETATM   36  HXT UNL     1      -6.405  -2.201  -1.734  1.00  0.00           H  
HETATM   37  H1  UNL     1      -3.770  -1.717   1.846  1.00  0.00           H  
HETATM   38  H2  UNL     1      -2.555  -1.906   0.726  1.00  0.00           H  
HETATM   39  H   UNL     1       6.054   2.043   0.575  1.00  0.00           H  
HETATM   40  H   UNL     1       7.039   1.453  -0.784  1.00  0.00           H  
HETATM   41  H   UNL     1       4.341   2.609  -1.054  1.00  0.00           H  
HETATM   42  H   UNL     1       5.764   3.401  -1.390  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.163   3.435  -1.447  1.00  0.00           H  
CONECT    1    2    2    5   19                                       
CONECT    2    3    6    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    3    5    5                                            
CONECT    5    4    4    1   18                                       
CONECT    6    7    2   10   10                                       
CONECT    7    8    8    6                                            
CONECT    8    7    7    9                                            
CONECT    9    8   11   10                                            
CONECT   10    6    6    9                                            
CONECT   11   15    9   27   28                                       
CONECT   12   13   13   17   29                                       
CONECT   13   25   12   12   14                                       
CONECT   14   13   15   15   30                                       
CONECT   15   14   14   16   11                                       
CONECT   16   17   17   15   31                                       
CONECT   17   12   16   16   32                                       
CONECT   18    5   43                                                 
CONECT   19    1   20   33   34                                       
CONECT   20   19   24   21   35                                       
CONECT   21   20   23   23   22                                       
CONECT   22   21   36                                                 
CONECT   23   21   21                                                 
CONECT   24   20   37   38                                            
CONECT   25   13   26   39   40                                       
CONECT   26   25   41   42                                            
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   22                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   18                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
