COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.959  -0.150  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       2.569   2.583   0.092  1.00  0.00           C  
HETATM    3  C   UNL     1       4.317  -1.715  -0.357  1.00  0.00           C  
HETATM    4  C   UNL     1       2.059  -1.773   0.487  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.056  -0.692  -1.011  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.281   0.778   0.472  1.00  0.00           N  
HETATM    7  C   UNL     1       0.647   0.987  -0.482  1.00  0.00           C  
HETATM    8  O   UNL     1       0.347   0.885  -1.657  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.582   0.447   0.114  1.00  0.00           C  
HETATM   10  C   UNL     1       4.325  -3.095  -0.411  1.00  0.00           C  
HETATM   11  C   UNL     1       3.209  -3.811  -0.019  1.00  0.00           C  
HETATM   12  C   UNL     1       2.078  -3.151   0.429  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.275  -0.014  -1.262  1.00  0.00           C  
HETATM   14  C   UNL     1       2.026   1.338  -0.104  1.00  0.00           C  
HETATM   15  C   UNL     1       1.860   3.906  -0.039  1.00  0.00           C  
HETATM   16  C   UNL     1       3.168   0.437   0.159  1.00  0.00           C  
HETATM   17  C   UNL     1       3.181  -1.045   0.094  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.005   0.306  -1.104  1.00  0.00           N  
HETATM   19  N   UNL     1      -5.392  -0.503  -0.008  1.00  0.00           N1+
HETATM   20  N   UNL     1       4.166   1.229   0.456  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.907  -0.604   1.092  1.00  0.00           O1-
HETATM   22  O   UNL     1       3.847   2.392   0.427  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.857   0.156   1.216  1.00  0.00           S  
HETATM   24  H   UNL     1       5.190  -1.157  -0.659  1.00  0.00           H  
HETATM   25  H   UNL     1       1.176  -1.258   0.837  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.042   0.859   1.408  1.00  0.00           H  
HETATM   27  H   UNL     1       5.204  -3.615  -0.760  1.00  0.00           H  
HETATM   28  H   UNL     1       3.220  -4.890  -0.062  1.00  0.00           H  
HETATM   29  H   UNL     1       1.210  -3.716   0.733  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.725  -0.155  -2.234  1.00  0.00           H  
HETATM   31  H   UNL     1       1.427   4.183   0.923  1.00  0.00           H  
HETATM   32  H   UNL     1       2.572   4.670  -0.351  1.00  0.00           H  
HETATM   33  H   UNL     1       1.068   3.822  -0.783  1.00  0.00           H  
CONECT    1   13   13   19   23                                       
CONECT    2   14   14   22   15                                       
CONECT    3   10   10   17   24                                       
CONECT    4   12   17   17   25                                       
CONECT    5   19   19                                                 
CONECT    6    7    9   26                                            
CONECT    7    8    8   14    6                                       
CONECT    8    7    7                                                 
CONECT    9   18   18    6   23                                       
CONECT   10   11    3    3   27                                       
CONECT   11   12   12   10   28                                       
CONECT   12   11   11    4   29                                       
CONECT   13   18    1    1   30                                       
CONECT   14   16    7    2    2                                       
CONECT   15    2   31   32   33                                       
CONECT   16   17   20   20   14                                       
CONECT   17    4    4    3   16                                       
CONECT   18   13    9    9                                            
CONECT   19    5    5    1   21                                       
CONECT   20   16   16   22                                            
CONECT   21   19                                                      
CONECT   22   20    2                                                 
CONECT   23    9    1                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
