COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.646   2.402   0.177  1.00  0.00           O  
HETATM    2  C   UNL     1       0.351   1.039   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       1.390   0.128  -0.174  1.00  0.00           C  
HETATM    4  O   UNL     1       1.060  -1.237   0.088  1.00  0.00           O  
HETATM    5  C   UNL     1       2.775   0.437   0.398  1.00  0.00           C  
HETATM    6  O   UNL     1       3.760  -0.329  -0.298  1.00  0.00           O  
HETATM    7  S   UNL     1       5.183  -0.100   0.191  1.00  0.00           S  
HETATM    8  O   UNL     1       6.036  -0.771  -0.726  1.00  0.00           O  
HETATM    9  O   UNL     1       5.289   1.287   0.480  1.00  0.00           O  
HETATM   10  O   UNL     1       5.324  -0.827   1.521  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.040   0.683  -0.048  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.025   1.478   0.616  1.00  0.00           O  
HETATM   13  S   UNL     1      -2.412   2.741  -0.139  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.216   3.247  -0.716  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.303   2.318  -1.298  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.232   3.499   0.741  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.314  -0.800   0.220  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.579  -1.161  -0.338  1.00  0.00           O  
HETATM   19  S   UNL     1      -3.342  -2.196   0.476  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.903  -1.483   1.698  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.460  -2.582  -0.312  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.376  -3.119   0.959  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.210  -1.640  -0.429  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.232  -1.443  -1.845  1.00  0.00           O  
HETATM   25  C   UNL     1       0.606  -2.346  -2.570  1.00  0.00           C  
HETATM   26  H   UNL     1       0.375   0.896   1.566  1.00  0.00           H  
HETATM   27  H   UNL     1       1.394   0.301  -1.250  1.00  0.00           H  
HETATM   28  H   UNL     1       2.989   1.499   0.279  1.00  0.00           H  
HETATM   29  H   UNL     1       2.796   0.179   1.457  1.00  0.00           H  
HETATM   30  H   UNL     1       6.200  -0.745   1.923  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.079   0.874  -1.120  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.608   3.053  -1.848  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.325  -0.980   1.294  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.411  -2.056   2.289  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.376  -2.694  -0.206  1.00  0.00           H  
HETATM   36  H   UNL     1       0.284  -3.370  -2.382  1.00  0.00           H  
HETATM   37  H   UNL     1       0.533  -2.132  -3.636  1.00  0.00           H  
HETATM   38  H   UNL     1       1.639  -2.224  -2.244  1.00  0.00           H  
HETATM   39  H   UNL     1       1.516   2.695   0.482  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3   11   26                                       
CONECT    3    2    4    5   27                                       
CONECT    4    3   23                                                 
CONECT    5    3    6   28   29                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   30                                                 
CONECT   11    2   12   17   31                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   15                                       
CONECT   13   16   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   32                                                 
CONECT   16   13   13                                                 
CONECT   17   11   18   23   33                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22   22                                                 
CONECT   20   19   34                                                 
CONECT   21   19   19                                                 
CONECT   22   19   19                                                 
CONECT   23    4   17   24   35                                       
CONECT   24   23   25                                                 
CONECT   25   24   36   37   38                                       
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   20                                                      
CONECT   35   23                                                      
CONECT   36   25                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39    1                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
