COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1      -2.773  -0.839   0.274  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.339  -1.706  -0.719  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.258  -1.253  -1.603  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.944   4.489  -0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       0.420   4.641   0.184  1.00  0.00           C  
HETATM    6  C   UNL     1       1.253   3.539   0.181  1.00  0.00           C  
HETATM    7  C   UNL     1       0.724   2.266  -0.011  1.00  0.00           C  
HETATM    8  C   UNL     1       1.614   1.082  -0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       2.697   1.023  -0.891  1.00  0.00           C  
HETATM   10  C   UNL     1       3.523  -0.082  -0.889  1.00  0.00           C  
HETATM   11  C   UNL     1       3.278  -1.131  -0.021  1.00  0.00           C  
HETATM   12  C   UNL     1       4.183  -2.336  -0.025  1.00  0.00           C  
HETATM   13  C   UNL     1       5.284  -2.125   0.930  1.00  0.00           C  
HETATM   14  N   UNL     1       6.133  -1.962   1.667  1.00  0.00           N  
HETATM   15  C   UNL     1       2.205  -1.079   0.850  1.00  0.00           C  
HETATM   16  C   UNL     1       1.375   0.024   0.862  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.488   3.235  -0.188  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.662   2.111  -0.200  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.238   0.767  -0.398  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.748  -0.018  -1.401  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.834  -1.969  -2.493  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.895  -2.934  -0.867  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.203   0.369   0.395  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.864  -1.243   1.189  1.00  0.00           C  
HETATM   25  OXT UNL     1      -4.444  -2.295   1.016  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.213  -0.442   2.215  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.586   5.357   0.002  1.00  0.00           H  
HETATM   28  H   UNL     1       0.835   5.627   0.332  1.00  0.00           H  
HETATM   29  H   UNL     1       2.316   3.666   0.326  1.00  0.00           H  
HETATM   30  H   UNL     1       2.889   1.841  -1.569  1.00  0.00           H  
HETATM   31  H   UNL     1       4.362  -0.129  -1.567  1.00  0.00           H  
HETATM   32  H   UNL     1       3.615  -3.219   0.266  1.00  0.00           H  
HETATM   33  H   UNL     1       4.593  -2.480  -1.025  1.00  0.00           H  
HETATM   34  H   UNL     1       2.018  -1.900   1.526  1.00  0.00           H  
HETATM   35  H   UNL     1       0.540   0.066   1.546  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.553   3.124  -0.333  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.033   0.310  -1.969  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.516  -3.453  -1.590  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.931  -0.748   2.786  1.00  0.00           H  
CONECT    1   24    2    2   23                                       
CONECT    2    1    1   22    3                                       
CONECT    3    2   21   21   20                                       
CONECT    4   17    5    5   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6   18    8                                       
CONECT    8    7    9    9   16                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   31                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   32   33                                       
CONECT   13   12   14   14   14                                       
CONECT   14   13   13   13                                            
CONECT   15   11   16   16   34                                       
CONECT   16   15   15    8   35                                       
CONECT   17   18   18    4   36                                       
CONECT   18   19   17   17    7                                       
CONECT   19   20   23   23   18                                       
CONECT   20    3   19   37                                            
CONECT   21    3    3                                                 
CONECT   22    2   38                                                 
CONECT   23   19   19    1                                            
CONECT   24   26   25   25    1                                       
CONECT   25   24   24                                                 
CONECT   26   24   39                                                 
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
