COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.727  -2.650  -0.438  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.520   3.029  -0.966  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.836   2.380   0.239  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.142   0.948   0.261  1.00  0.00           N  
HETATM    5  N   UNL     1       1.839   1.237   1.301  1.00  0.00           N  
HETATM    6  CA  UNL     1       2.377   0.161   0.457  1.00  0.00           C  
HETATM    7  C   UNL     1       3.802   0.480   0.084  1.00  0.00           C  
HETATM    8  O   UNL     1       4.205   1.617   0.154  1.00  0.00           O  
HETATM    9  C   UNL     1       1.532   0.038  -0.813  1.00  0.00           C  
HETATM   10  C   UNL     1       0.137  -0.400  -0.448  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.159  -1.829  -0.280  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.828   0.517  -0.272  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.461  -2.265   0.063  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.191   0.076   0.086  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.462  -1.373   0.243  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.704  -1.800   0.570  1.00  0.00           O  
HETATM   17  OXT UNL     1       4.623  -0.499  -0.328  1.00  0.00           O  
HETATM   18  H   UNL     1      -3.156   2.566  -1.883  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.598   2.889  -0.891  1.00  0.00           H  
HETATM   20  H   UNL     1      -3.292   4.095  -0.983  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.758   2.520   0.164  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.200   2.844   1.156  1.00  0.00           H  
HETATM   23  H1  UNL     1       1.856   2.121   0.814  1.00  0.00           H  
HETATM   24  H2  UNL     1       0.907   1.016   1.617  1.00  0.00           H  
HETATM   25  HA  UNL     1       2.347  -0.780   1.006  1.00  0.00           H  
HETATM   26  H   UNL     1       1.489   1.005  -1.315  1.00  0.00           H  
HETATM   27  H   UNL     1       1.982  -0.698  -1.479  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.609   1.569  -0.391  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.657  -3.320   0.181  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.779  -2.761   0.654  1.00  0.00           H  
HETATM   31  HXT UNL     1       5.528  -0.246  -0.556  1.00  0.00           H  
CONECT    1   11   11                                                 
CONECT    2    3   18   19   20                                       
CONECT    3    2    4   21   22                                       
CONECT    4    3   14   14                                            
CONECT    5    6   23   24                                            
CONECT    6    5    7    9   25                                       
CONECT    7    6    8    8   17                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   26   27                                       
CONECT   10    9   11   12   12                                       
CONECT   11    1    1   10   13                                       
CONECT   12   10   10   14   28                                       
CONECT   13   11   15   15   29                                       
CONECT   14    4    4   12   15                                       
CONECT   15   13   13   14   16                                       
CONECT   16   15   30                                                 
CONECT   17    7   31                                                 
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   16                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
