COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.801   1.267   0.361  1.00  0.00           C  
HETATM    2  C   UNL     1       4.517   1.671  -0.929  1.00  0.00           C  
HETATM    3  C   UNL     1       3.961   2.746   0.007  1.00  0.00           C  
HETATM    4  C   UNL     1       1.315   1.496   0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.707  -0.536  -0.409  1.00  0.00           C  
HETATM    6  C   UNL     1       0.902  -2.643   0.065  1.00  0.00           C  
HETATM    7  N   UNL     1       2.280  -0.643   0.208  1.00  0.00           N  
HETATM    8  CA  UNL     1       1.067  -1.177   0.095  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.212  -3.129   0.058  1.00  0.00           O  
HETATM   10  OXT UNL     1       1.986  -3.443   0.045  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.056  -0.337   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1       0.105   0.981   0.028  1.00  0.00           N  
HETATM   13  C   UNL     1       2.424   0.666   0.234  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.322  -0.881  -0.117  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.423   2.034   0.350  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.746   0.280  -0.346  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.447  -0.051  -0.069  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.599   1.536   0.026  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.335   1.282   0.319  1.00  0.00           C  
HETATM   20  H   UNL     1       4.412   0.875   1.174  1.00  0.00           H  
HETATM   21  H   UNL     1       5.599   1.545  -0.965  1.00  0.00           H  
HETATM   22  H   UNL     1       3.992   1.503  -1.870  1.00  0.00           H  
HETATM   23  H   UNL     1       3.072   3.286  -0.318  1.00  0.00           H  
HETATM   24  H   UNL     1       4.678   3.328   0.586  1.00  0.00           H  
HETATM   25  H   UNL     1       1.442   2.568   0.168  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.836  -1.564  -0.715  1.00  0.00           H  
HETATM   27  HXT UNL     1       1.827  -4.397   0.025  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.430  -1.838  -0.232  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.468   2.177   0.063  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.374   1.696   0.585  1.00  0.00           H  
CONECT    1   13    2    3   20                                       
CONECT    2    1    3   21   22                                       
CONECT    3    1    2   23   24                                       
CONECT    4   12   13   13   25                                       
CONECT    5   16   16   17   26                                       
CONECT    6    8    9    9   10                                       
CONECT    7    8    8   13                                            
CONECT    8    7    7    6   11                                       
CONECT    9    6    6                                                 
CONECT   10    6   27                                                 
CONECT   11    8   12   12   14                                       
CONECT   12   11   11    4                                            
CONECT   13    7    1    4    4                                       
CONECT   14   11   17   28                                            
CONECT   15   18   18   19                                            
CONECT   16   18    5    5                                            
CONECT   17   14    5   19   19                                       
CONECT   18   15   15   16   29                                       
CONECT   19   15   17   17   30                                       
CONECT   20    1                                                      
CONECT   21    2                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27   10                                                      
CONECT   28   14                                                      
CONECT   29   18                                                      
CONECT   30   19                                                      
MASTER        0    0    0    0    0    0    0    0   30    0   30    0
END
