COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.632  -0.074  -0.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.710  -2.064  -0.100  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.210  -1.951  -0.097  1.00  0.00           C  
HETATM    4  O   UNL     1       2.043   1.786   0.099  1.00  0.00           O  
HETATM    5  C   UNL     1       1.960   0.575   0.038  1.00  0.00           C  
HETATM    6  N   UNL     1       3.078  -0.177   0.007  1.00  0.00           N  
HETATM    7  C   UNL     1       4.394   0.466   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1       5.486  -0.605   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       0.533  -1.465  -0.068  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.856  -1.289  -0.068  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.765   0.090  -0.010  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.996   0.911   0.023  1.00  0.00           N1+
HETATM   13  O   UNL     1      -3.975   0.516   0.631  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.030   1.981  -0.557  1.00  0.00           O1-
HETATM   15  C   UNL     1      -0.528   0.702   0.028  1.00  0.00           C  
HETATM   16  H   UNL     1      -0.788  -3.140  -0.146  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.582  -2.061   0.922  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.902  -1.336  -0.673  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.124  -2.933  -0.561  1.00  0.00           H  
HETATM   20  H   UNL     1       3.011  -1.143  -0.042  1.00  0.00           H  
HETATM   21  H   UNL     1       4.500   1.131  -0.810  1.00  0.00           H  
HETATM   22  H   UNL     1       4.489   1.042   0.968  1.00  0.00           H  
HETATM   23  H   UNL     1       5.391  -1.181  -0.920  1.00  0.00           H  
HETATM   24  H   UNL     1       6.465  -0.127   0.031  1.00  0.00           H  
HETATM   25  H   UNL     1       5.380  -1.270   0.858  1.00  0.00           H  
HETATM   26  H   UNL     1       1.426  -2.070  -0.093  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.458   1.778   0.083  1.00  0.00           H  
CONECT    1    9    5   15   15                                       
CONECT    2    9    9   10   16                                       
CONECT    3   10   17   18   19                                       
CONECT    4    5    5                                                 
CONECT    5    6    4    4    1                                       
CONECT    6    7    5   20                                            
CONECT    7    6    8   21   22                                       
CONECT    8    7   23   24   25                                       
CONECT    9    2    2    1   26                                       
CONECT   10    2    3   11   11                                       
CONECT   11   10   10   15   12                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12                                                      
CONECT   15    1    1   11   27                                       
CONECT   16    2                                                      
CONECT   17    3                                                      
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    7                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   15                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
