COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.636  -4.535  -0.459  1.00  0.00           N  
HETATM    2  CA  UNL     1       4.329  -3.361   0.356  1.00  0.00           C  
HETATM    3  C   UNL     1       3.483  -2.447  -0.516  1.00  0.00           C  
HETATM    4  O   UNL     1       3.580  -2.343  -1.731  1.00  0.00           O  
HETATM    5  OXT UNL     1       2.579  -1.741   0.214  1.00  0.00           O  
HETATM    6  C   UNL     1       5.625  -2.696   0.834  1.00  0.00           C  
HETATM    7  C   UNL     1       5.362  -1.476   1.661  1.00  0.00           C  
HETATM    8  C   UNL     1       5.150  -1.676   3.119  1.00  0.00           C  
HETATM    9  O   UNL     1       5.187  -2.789   3.634  1.00  0.00           O  
HETATM   10  C   UNL     1       4.890  -0.479   3.946  1.00  0.00           C  
HETATM   11  C   UNL     1       4.843   0.749   3.420  1.00  0.00           C  
HETATM   12  O   UNL     1       4.598   1.847   4.219  1.00  0.00           O  
HETATM   13  C   UNL     1       5.054   0.957   1.966  1.00  0.00           C  
HETATM   14  N   UNL     1       5.009   2.146   1.453  1.00  0.00           N  
HETATM   15  N   UNL     1       5.221   2.144   0.123  1.00  0.00           N  
HETATM   16  C   UNL     1       5.027   3.421  -0.543  1.00  0.00           C  
HETATM   17  C   UNL     1       5.100   3.292  -2.037  1.00  0.00           C  
HETATM   18  C   UNL     1       6.324   3.435  -2.680  1.00  0.00           C  
HETATM   19  C   UNL     1       6.391   3.316  -4.069  1.00  0.00           C  
HETATM   20  C   UNL     1       5.235   3.054  -4.803  1.00  0.00           C  
HETATM   21  C   UNL     1       4.010   2.912  -4.150  1.00  0.00           C  
HETATM   22  C   UNL     1       3.943   3.032  -2.762  1.00  0.00           C  
HETATM   23  C   UNL     1       5.314  -0.244   1.140  1.00  0.00           C  
HETATM   24  H1  UNL     1       3.957  -4.834  -1.123  1.00  0.00           H  
HETATM   25  H2  UNL     1       5.406  -5.106  -0.185  1.00  0.00           H  
HETATM   26  HA  UNL     1       3.730  -3.661   1.224  1.00  0.00           H  
HETATM   27  HXT UNL     1       2.008  -1.139  -0.311  1.00  0.00           H  
HETATM   28  H   UNL     1       6.260  -2.414  -0.014  1.00  0.00           H  
HETATM   29  H   UNL     1       6.205  -3.393   1.449  1.00  0.00           H  
HETATM   30  H   UNL     1       4.737  -0.638   5.009  1.00  0.00           H  
HETATM   31  H   UNL     1       4.377   1.560   5.110  1.00  0.00           H  
HETATM   32  H   UNL     1       6.135   1.758  -0.113  1.00  0.00           H  
HETATM   33  H   UNL     1       5.794   4.112  -0.177  1.00  0.00           H  
HETATM   34  H   UNL     1       4.056   3.818  -0.230  1.00  0.00           H  
HETATM   35  H   UNL     1       7.230   3.639  -2.116  1.00  0.00           H  
HETATM   36  H   UNL     1       7.344   3.426  -4.577  1.00  0.00           H  
HETATM   37  H   UNL     1       5.287   2.961  -5.884  1.00  0.00           H  
HETATM   38  H   UNL     1       3.110   2.709  -4.722  1.00  0.00           H  
HETATM   39  H   UNL     1       2.985   2.920  -2.261  1.00  0.00           H  
HETATM   40  H   UNL     1       5.466  -0.086   0.077  1.00  0.00           H  
CONECT    1    2   24   25                                            
CONECT    2    1    3    6   26                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   27                                                 
CONECT    6    2    7   28   29                                       
CONECT    7    6    8   23   23                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   30                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   31                                                 
CONECT   13   11   14   14   23                                       
CONECT   14   13   13   15                                            
CONECT   15   14   16   32                                            
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   35                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22   17   21   21   39                                       
CONECT   23    7    7   13   40                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
