COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.056   0.027  -1.224  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.131   0.068  -2.728  1.00  0.00           C  
HETATM    3  C   UNL     1       1.191   0.009  -0.584  1.00  0.00           C  
HETATM    4  N   UNL     1       2.322   0.028  -1.314  1.00  0.00           N1+
HETATM    5  O   UNL     1       3.325   0.559  -0.870  1.00  0.00           O  
HETATM    6  O   UNL     1       2.343  -0.486  -2.417  1.00  0.00           O1-
HETATM    7  C   UNL     1       1.261  -0.028   0.816  1.00  0.00           C  
HETATM    8  C   UNL     1       0.083  -0.048   1.577  1.00  0.00           C  
HETATM    9  N   UNL     1       0.150  -0.085   2.920  1.00  0.00           N1+
HETATM   10  O   UNL     1      -0.873  -0.103   3.581  1.00  0.00           O  
HETATM   11  O   UNL     1       1.233  -0.101   3.476  1.00  0.00           O1-
HETATM   12  C   UNL     1      -1.165  -0.031   0.937  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.234   0.012  -0.463  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.432   0.029  -1.077  1.00  0.00           N1+
HETATM   15  O   UNL     1      -3.385   0.562  -0.538  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.562  -0.487  -2.172  1.00  0.00           O1-
HETATM   17  H   UNL     1      -0.145  -0.948  -3.119  1.00  0.00           H  
HETATM   18  H   UNL     1      -1.040   0.587  -3.033  1.00  0.00           H  
HETATM   19  H   UNL     1       0.737   0.596  -3.121  1.00  0.00           H  
HETATM   20  H   UNL     1       2.222  -0.042   1.309  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.072  -0.047   1.522  1.00  0.00           H  
CONECT    1    2    3    3   13                                       
CONECT    2    1   17   18   19                                       
CONECT    3    1    1    4    7                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4                                                      
CONECT    7    3    8    8   20                                       
CONECT    8    7    7    9   12                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9                                                      
CONECT   12    8   13   13   21                                       
CONECT   13    1   12   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14                                                      
CONECT   17    2                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    7                                                      
CONECT   21   12                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
