COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.296  -1.633   0.410  1.00  0.00           N  
HETATM    2  C   UNL     1       4.433   0.314   0.442  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.480  -2.567  -0.098  1.00  0.00           O  
HETATM    4  C   UNL     1       3.731  -0.752   0.805  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.158  -0.641  -0.512  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.762   0.591  -0.671  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.607   1.081   0.314  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.844   0.331   1.457  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.238  -0.901   1.612  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.396  -1.387   0.628  1.00  0.00           C  
HETATM   11  C   UNL     1       7.042  -0.166  -0.451  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.059   2.733   1.215  1.00  0.00           C  
HETATM   13  C   UNL     1       2.411  -0.798   0.337  1.00  0.00           C  
HETATM   14  C   UNL     1       2.076   0.295  -0.430  1.00  0.00           C  
HETATM   15  C   UNL     1       0.255  -1.093  -0.304  1.00  0.00           C  
HETATM   16  C   UNL     1       0.685   0.121  -0.849  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.068  -1.515  -0.559  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.204   0.891  -1.634  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.245  -1.176  -1.585  1.00  0.00           C  
HETATM   20  C   UNL     1       1.245  -2.904   1.136  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.872  -0.743  -1.318  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.420   0.472  -1.844  1.00  0.00           N  
HETATM   23  O   UNL     1       6.279   2.102   0.610  1.00  0.00           O1-
HETATM   24  O   UNL     1      -6.202   2.293   0.160  1.00  0.00           O  
HETATM   25  S   UNL     1       3.455   1.382  -0.551  1.00  0.00           S  
HETATM   26  S   UNL     1       6.109   0.616   0.894  1.00  0.00           S1+
HETATM   27  H   UNL     1       4.150  -1.534   1.421  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.576   1.173  -1.562  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.501   0.710   2.226  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.421  -1.485   2.501  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.923  -2.350   0.750  1.00  0.00           H  
HETATM   32  H   UNL     1       6.773   0.301  -1.399  1.00  0.00           H  
HETATM   33  H   UNL     1       8.110  -0.039  -0.274  1.00  0.00           H  
HETATM   34  H   UNL     1       6.803  -1.228  -0.489  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.468   3.713   0.966  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.875   2.021   1.342  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.490   2.802   2.141  1.00  0.00           H  
HETATM   38  H   UNL     1       0.125   1.827  -2.060  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.288  -2.266  -1.588  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.564  -0.797  -2.556  1.00  0.00           H  
HETATM   41  H   UNL     1       0.916  -2.725   2.160  1.00  0.00           H  
HETATM   42  H   UNL     1       0.544  -3.577   0.642  1.00  0.00           H  
HETATM   43  H   UNL     1       2.237  -3.357   1.147  1.00  0.00           H  
CONECT    1   15   13   20                                            
CONECT    2   25    4    4   26                                       
CONECT    3   17   17                                                 
CONECT    4   13    2    2   27                                       
CONECT    5   19   10   10    6                                       
CONECT    6    5    7    7   28                                       
CONECT    7    6    6    8   24                                       
CONECT    8    9    9    7   29                                       
CONECT    9   10    8    8   30                                       
CONECT   10    5    5    9   31                                       
CONECT   11   26   32   33   34                                       
CONECT   12   24   35   36   37                                       
CONECT   13   14   14    1    4                                       
CONECT   14   16   25   13   13                                       
CONECT   15   16   16   17    1                                       
CONECT   16   18   14   15   15                                       
CONECT   17   21   15    3    3                                       
CONECT   18   22   22   16   38                                       
CONECT   19   21    5   39   40                                       
CONECT   20    1   41   42   43                                       
CONECT   21   22   19   17                                            
CONECT   22   18   18   21                                            
CONECT   23   26                                                      
CONECT   24    7   12                                                 
CONECT   25   14    2                                                 
CONECT   26    2   11   23                                            
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
