COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.662   1.138   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.976   1.278  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       3.298   0.149   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.270  -2.349   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.455  -0.853   0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.416  -0.003   0.001  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.982   1.659   0.005  1.00  0.00           S  
HETATM    8  N   UNL     1      -3.808   1.847  -0.001  1.00  0.00           N  
HETATM    9  N   UNL     1      -5.133  -0.069  -0.010  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.056  -0.881   0.003  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.186  -2.093   0.003  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.716  -0.260   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1       0.993  -0.406   0.001  1.00  0.00           C  
HETATM   14  O   UNL     1       1.288  -1.587   0.002  1.00  0.00           O  
HETATM   15  N   UNL     1       1.962   0.531   0.000  1.00  0.00           N  
HETATM   16  N   UNL     1       3.747  -1.073  -0.005  1.00  0.00           N  
HETATM   17  N   UNL     1       4.998  -1.236  -0.004  1.00  0.00           N  
HETATM   18  C   UNL     1       5.747  -0.181   0.001  1.00  0.00           C  
HETATM   19  S   UNL     1       4.691   1.233  -0.001  1.00  0.00           S  
HETATM   20  H   UNL     1      -5.857   1.903  -0.005  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.225  -2.710  -1.025  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.342  -2.600   0.516  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.108  -2.819   0.516  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.025  -0.450  -0.013  1.00  0.00           H  
HETATM   25  H   UNL     1       1.726   1.472   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1       6.827  -0.168   0.002  1.00  0.00           H  
CONECT    1   12   12    8    7                                       
CONECT    2    9    8    8   20                                       
CONECT    3   16   16   15   19                                       
CONECT    4    5   21   22   23                                       
CONECT    5    4   12    6    6                                       
CONECT    6    5    5   13    7                                       
CONECT    7    6    1                                                 
CONECT    8    1    2    2                                            
CONECT    9   10    2   24                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   10    5    1    1                                       
CONECT   13   15    6   14   14                                       
CONECT   14   13   13                                                 
CONECT   15    3   13   25                                            
CONECT   16   17    3    3                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   26                                       
CONECT   19    3   18                                                 
CONECT   20    2                                                      
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    9                                                      
CONECT   25   15                                                      
CONECT   26   18                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
