COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.220   1.164   2.676  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.050   0.438   2.555  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.590   0.138   3.929  1.00  0.00           C  
HETATM    4  O   UNL     1       0.168  -0.025   4.854  1.00  0.00           O  
HETATM    5  OXT UNL     1      -1.915   0.051   4.125  1.00  0.00           O  
HETATM    6  C   UNL     1       0.181  -0.872   1.800  1.00  0.00           C  
HETATM    7  C   UNL     1       0.721  -0.572   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1       2.031  -0.457   0.086  1.00  0.00           C  
HETATM    9  N   UNL     1       2.128  -0.184  -1.231  1.00  0.00           N  
HETATM   10  C   UNL     1       0.870  -0.117  -1.768  1.00  0.00           C  
HETATM   11  C   UNL     1       0.367   0.143  -3.117  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.115   0.137  -3.334  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.975  -0.117  -2.235  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.483  -0.352  -1.005  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.040  -0.365  -0.741  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.576   0.348  -4.438  1.00  0.00           O  
HETATM   17  O   UNL     1       1.131   0.357  -4.037  1.00  0.00           O  
HETATM   18  H1  UNL     1       1.594   1.252   1.743  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.850   0.563   3.186  1.00  0.00           H  
HETATM   20  HA  UNL     1      -0.767   1.050   2.008  1.00  0.00           H  
HETATM   21  HXT UNL     1      -2.262  -0.140   5.007  1.00  0.00           H  
HETATM   22  H   UNL     1       0.898  -1.484   2.347  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.761  -1.411   1.710  1.00  0.00           H  
HETATM   24  H   UNL     1       2.864  -0.568   0.764  1.00  0.00           H  
HETATM   25  H   UNL     1       2.956  -0.056  -1.719  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.044  -0.121  -2.389  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.168  -0.542  -0.192  1.00  0.00           H  
CONECT    1    2   18   19                                            
CONECT    2    1    3    6   20                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   21                                                 
CONECT    6    2    7   22   23                                       
CONECT    7    6    8    8   15                                       
CONECT    8    7    7    9   24                                       
CONECT    9    8   10   25                                            
CONECT   10    9   11   15   15                                       
CONECT   11   10   12   17   17                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14   14   26                                       
CONECT   14   13   13   15   27                                       
CONECT   15    7   10   10   14                                       
CONECT   16   12   12                                                 
CONECT   17   11   11                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    6                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26   13                                                      
CONECT   27   14                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
