COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.177  -0.123   0.158  1.00  0.00           C  
HETATM    2  C   UNL     1       1.801  -0.061  -0.082  1.00  0.00           C  
HETATM    3  C   UNL     1       1.030  -1.229  -0.184  1.00  0.00           C  
HETATM    4  C   UNL     1       1.665  -2.454   0.028  1.00  0.00           C  
HETATM    5  C   UNL     1       3.015  -2.508   0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       3.779  -1.355   0.356  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.275  -1.227  -0.478  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.952  -0.109  -0.192  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.355   1.158  -0.111  1.00  0.00           C  
HETATM   10  C   UNL     1       1.116   1.240  -0.244  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.120   2.304   0.116  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.484   2.181   0.327  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.072   0.929   0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.327  -0.200   0.036  1.00  0.00           C  
HETATM   15  O   UNL     1       1.707   2.282  -0.462  1.00  0.00           O  
HETATM   16  O   UNL     1       3.915   1.015   0.203  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.533   3.527   0.130  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.990  -1.524   0.001  1.00  0.00           N1+
HETATM   19  O   UNL     1      -4.188  -1.610   0.199  1.00  0.00           O1-
HETATM   20  O   UNL     1      -2.336  -2.526  -0.227  1.00  0.00           O  
HETATM   21  H   UNL     1       1.093  -3.368  -0.020  1.00  0.00           H  
HETATM   22  H   UNL     1       3.486  -3.466   0.464  1.00  0.00           H  
HETATM   23  H   UNL     1       4.838  -1.416   0.556  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.085   3.058   0.517  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.133   0.836   0.475  1.00  0.00           H  
HETATM   26  H   UNL     1       4.227   1.181  -0.697  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.560   3.861  -0.777  1.00  0.00           H  
CONECT    1    2    2    6   16                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    6   22                                       
CONECT    6    1    5    5   23                                       
CONECT    7    3    8                                                 
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   11                                       
CONECT   10    2    9   15   15                                       
CONECT   11    9   12   12   17                                       
CONECT   12   11   11   13   24                                       
CONECT   13   12   14   14   25                                       
CONECT   14    8   13   13   18                                       
CONECT   15   10   10                                                 
CONECT   16    1   26                                                 
CONECT   17   11   27                                                 
CONECT   18   14   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24   12                                                      
CONECT   25   13                                                      
CONECT   26   16                                                      
CONECT   27   17                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
