COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.783  -0.960  -0.934  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.412  -0.007   0.052  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.937   1.313   0.094  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.757  -0.695   1.519  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.661   0.157  -0.048  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.901  -0.868  -0.580  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.528  -0.743  -0.660  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.050   1.314   0.401  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.677   1.446   0.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.910   0.415  -0.204  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.520   0.546  -0.284  1.00  0.00           N  
HETATM   12  C   UNL     1       0.269  -0.531  -0.099  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.228  -1.630   0.053  1.00  0.00           O  
HETATM   14  C   UNL     1       1.733  -0.376  -0.083  1.00  0.00           C  
HETATM   15  C   UNL     1       2.574  -1.466   0.099  1.00  0.00           C  
HETATM   16  C   UNL     1       3.973  -1.229   0.128  1.00  0.00           C  
HETATM   17  C   UNL     1       4.877  -2.301   0.095  1.00  0.00           C  
HETATM   18  C   UNL     1       6.220  -2.058   0.072  1.00  0.00           C  
HETATM   19  C   UNL     1       6.703  -0.757   0.092  1.00  0.00           C  
HETATM   20  C   UNL     1       2.368   0.942  -0.264  1.00  0.00           C  
HETATM   21  O   UNL     1       1.805   1.830  -0.877  1.00  0.00           O  
HETATM   22  O   UNL     1       3.594   1.134   0.271  1.00  0.00           O  
HETATM   23  C   UNL     1       4.457   0.091   0.177  1.00  0.00           C  
HETATM   24  C   UNL     1       5.832   0.316   0.147  1.00  0.00           C  
HETATM   25  O   UNL     1       6.316   1.587   0.171  1.00  0.00           O  
HETATM   26  C   UNL     1       7.736   1.741   0.138  1.00  0.00           C  
HETATM   27  H   UNL     1      -7.223  -1.544   1.559  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.493  -0.247   2.338  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.382  -1.768  -0.934  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.935  -1.544  -1.075  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.646   2.115   0.812  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.200   2.349   0.675  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.124   1.411  -0.472  1.00  0.00           H  
HETATM   34  H   UNL     1       2.176  -2.463   0.215  1.00  0.00           H  
HETATM   35  H   UNL     1       4.511  -3.317   0.088  1.00  0.00           H  
HETATM   36  H   UNL     1       6.913  -2.885   0.040  1.00  0.00           H  
HETATM   37  H   UNL     1       7.768  -0.581   0.065  1.00  0.00           H  
HETATM   38  H   UNL     1       7.987   2.802   0.162  1.00  0.00           H  
HETATM   39  H   UNL     1       8.176   1.244   1.002  1.00  0.00           H  
HETATM   40  H   UNL     1       8.129   1.296  -0.776  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    4    3    3                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   27   28                                            
CONECT    5    8    8    6    2                                       
CONECT    6    7    7    5   29                                       
CONECT    7   10    6    6   30                                       
CONECT    8    9    5    5   31                                       
CONECT    9   10   10    8   32                                       
CONECT   10   11    9    9    7                                       
CONECT   11   12   10   33                                            
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   15   20   12                                       
CONECT   15   16   14   14   34                                       
CONECT   16   17   17   23   15                                       
CONECT   17   18   16   16   35                                       
CONECT   18   19   19   17   36                                       
CONECT   19   18   18   24   37                                       
CONECT   20   22   14   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   23   20                                                 
CONECT   23   24   24   16   22                                       
CONECT   24   19   25   23   23                                       
CONECT   25   24   26                                                 
CONECT   26   25   38   39   40                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   26                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
