COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.802   1.103   0.730  1.00  0.00           N  
HETATM    2  CA  UNL     1       1.875  -0.277   0.230  1.00  0.00           C  
HETATM    3  C   UNL     1       3.300  -0.602  -0.138  1.00  0.00           C  
HETATM    4  O   UNL     1       4.057   0.282  -0.461  1.00  0.00           O  
HETATM    5  C   UNL     1       2.141   1.164   2.158  1.00  0.00           C  
HETATM    6  C   UNL     1       0.983  -0.420  -1.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.454  -0.188  -0.615  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.970   1.099  -0.607  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.259  -1.259  -0.273  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.292   1.315  -0.249  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.580  -1.048   0.084  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.098   0.244   0.100  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.371  -2.103   0.420  1.00  0.00           O  
HETATM   14  O   UNL     1      -4.394   0.453   0.452  1.00  0.00           O  
HETATM   15  HA  UNL     1       1.535  -0.963   1.006  1.00  0.00           H  
HETATM   16  H   UNL     1       1.493   0.488   2.715  1.00  0.00           H  
HETATM   17  H   UNL     1       3.181   0.868   2.297  1.00  0.00           H  
HETATM   18  H   UNL     1       2.002   2.183   2.521  1.00  0.00           H  
HETATM   19  H   UNL     1       1.280   0.313  -1.754  1.00  0.00           H  
HETATM   20  H   UNL     1       1.091  -1.424  -1.415  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.856  -2.261  -0.285  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.693   2.318  -0.241  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.357  -2.320   1.362  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.013   0.422  -0.291  1.00  0.00           H  
HETATM   25  H   UNL     1       2.395   1.715   0.190  1.00  0.00           H  
HETATM   26  OXT UNL     1       3.727  -1.874  -0.108  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.178   2.151  -0.948  1.00  0.00           O  
HETATM   28  HXT UNL     1       4.649  -2.034  -0.353  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.192   2.363  -1.892  1.00  0.00           H  
CONECT    1    2    5   25                                            
CONECT    2    1    3    6   15                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3                                                 
CONECT    5    1   16   17   18                                       
CONECT    6    2    7   19   20                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   10   27                                       
CONECT    9    7   11   11   21                                       
CONECT   10    8   12   12   22                                       
CONECT   11    9    9   12   13                                       
CONECT   12   10   10   11   14                                       
CONECT   13   11   23                                                 
CONECT   14   12   24                                                 
CONECT   15    2                                                      
CONECT   16    5                                                      
CONECT   17    5                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    6                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   13                                                      
CONECT   24   14                                                      
CONECT   25    1                                                      
CONECT   26    3   28                                                 
CONECT   27    8   29                                                 
CONECT   28   26                                                      
CONECT   29   27                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
