COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.948   1.634   0.338  1.00  0.00           O  
HETATM    2  S   UNL     1       3.546   1.865   0.333  1.00  0.00           S  
HETATM    3  O   UNL     1       2.873   2.319   1.500  1.00  0.00           O  
HETATM    4  C   UNL     1       3.071   2.866  -1.105  1.00  0.00           C  
HETATM    5  C   UNL     1       2.845   0.280   0.016  1.00  0.00           C  
HETATM    6  C   UNL     1       3.622  -0.708  -0.581  1.00  0.00           C  
HETATM    7  C   UNL     1       3.109  -1.944  -0.839  1.00  0.00           C  
HETATM    8  C   UNL     1       1.778  -2.233  -0.500  1.00  0.00           C  
HETATM    9  N   UNL     1       1.255  -3.443  -0.744  1.00  0.00           N  
HETATM   10  C   UNL     1       0.018  -3.738  -0.438  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.836  -2.801   0.166  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.224  -3.164   0.498  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.986  -2.321   0.931  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.649  -4.431   0.322  1.00  0.00           N  
HETATM   15  C   UNL     1       0.991  -1.225   0.107  1.00  0.00           C  
HETATM   16  C   UNL     1       1.550   0.034   0.363  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.352  -1.515   0.449  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.157  -0.566   1.041  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.865   0.342   0.250  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.573   1.378   0.844  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.273   2.277   0.055  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.967   3.293   0.633  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.666   4.181  -0.241  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.266   2.139  -1.326  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.562   1.107  -1.916  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.858   0.212  -1.134  1.00  0.00           C  
HETATM   27  H   UNL     1       3.259   2.302  -2.018  1.00  0.00           H  
HETATM   28  H   UNL     1       2.011   3.111  -1.042  1.00  0.00           H  
HETATM   29  H   UNL     1       3.657   3.785  -1.117  1.00  0.00           H  
HETATM   30  H   UNL     1       4.647  -0.492  -0.845  1.00  0.00           H  
HETATM   31  H   UNL     1       3.726  -2.700  -1.303  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.357  -4.727  -0.656  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.041  -5.103  -0.023  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.563  -4.670   0.541  1.00  0.00           H  
HETATM   35  H   UNL     1       0.957   0.806   0.830  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.232  -0.528   2.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.577   1.484   1.918  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.957   4.658  -0.917  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.398   3.619  -0.820  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.176   4.944   0.348  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.812   2.839  -1.941  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.559   1.001  -2.991  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.304  -0.591  -1.598  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   27   28   29                                       
CONECT    5    2    6    6   16                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   15                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   17   17                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   33   34                                            
CONECT   15    8   16   16   17                                       
CONECT   16    5   15   15   35                                       
CONECT   17   11   11   15   18                                       
CONECT   18   17   19   36                                            
CONECT   19   18   20   20   26                                       
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   24   24                                       
CONECT   22   21   23                                                 
CONECT   23   22   38   39   40                                       
CONECT   24   21   21   25   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   19   25   25   43                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
