COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.696  -0.764  -0.006  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.695  -1.432  -0.621  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.142   2.305   0.070  1.00  0.00           C  
HETATM    4  C   UNL     1       2.671  -2.412  -0.084  1.00  0.00           C  
HETATM    5  C   UNL     1       1.341  -2.103  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       0.939  -0.766  -0.027  1.00  0.00           C  
HETATM    7  C   UNL     1       1.904   0.258  -0.008  1.00  0.00           C  
HETATM    8  C   UNL     1       3.255  -0.082  -0.027  1.00  0.00           C  
HETATM    9  C   UNL     1       3.628  -1.406  -0.060  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.371  -0.105   0.001  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.123   1.257   0.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.642  -0.686  -1.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.223  -1.593   1.007  1.00  0.00           C  
HETATM   14  C   UNL     1       4.306   0.999  -0.008  1.00  0.00           C  
HETATM   15  N   UNL     1       1.244   1.464   0.029  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.412  -1.982   0.635  1.00  0.00           N  
HETATM   17  OXT UNL     1      -0.773   3.603   0.101  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.322   2.008   0.072  1.00  0.00           O  
HETATM   19  H   UNL     1      -4.513  -1.562  -1.126  1.00  0.00           H  
HETATM   20  H   UNL     1       2.981  -3.446  -0.113  1.00  0.00           H  
HETATM   21  H   UNL     1       0.602  -2.891  -0.080  1.00  0.00           H  
HETATM   22  H   UNL     1       4.677  -1.666  -0.075  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.554  -0.129  -1.926  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.727  -1.861   1.928  1.00  0.00           H  
HETATM   25  H   UNL     1       4.567   1.232   1.024  1.00  0.00           H  
HETATM   26  H   UNL     1       5.193   0.652  -0.538  1.00  0.00           H  
HETATM   27  H   UNL     1       3.917   1.893  -0.495  1.00  0.00           H  
HETATM   28  H   UNL     1       1.675   2.333   0.049  1.00  0.00           H  
HETATM   29  HXT UNL     1      -1.515   4.222   0.123  1.00  0.00           H  
CONECT    1   12   12   10   13                                       
CONECT    2   12   16   19                                            
CONECT    3   18   18   11   17                                       
CONECT    4    9    5    5   20                                       
CONECT    5    4    4    6   21                                       
CONECT    6    7    7    5   10                                       
CONECT    7    8   15    6    6                                       
CONECT    8   14    9    9    7                                       
CONECT    9    8    8    4   22                                       
CONECT   10    6   11   11    1                                       
CONECT   11   15   10   10    3                                       
CONECT   12    2    1    1   23                                       
CONECT   13    1   16   16   24                                       
CONECT   14    8   25   26   27                                       
CONECT   15    7   11   28                                            
CONECT   16    2   13   13                                            
CONECT   17    3   29                                                 
CONECT   18    3    3                                                 
CONECT   19    2                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    9                                                      
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   15                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
