COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.085  -3.289   0.516  1.00  0.00           O  
HETATM    2  C   UNL     1       0.757  -2.835   1.264  1.00  0.00           C  
HETATM    3  O   UNL     1       1.090  -3.500   2.387  1.00  0.00           O  
HETATM    4  C   UNL     1       1.421  -1.556   0.939  1.00  0.00           C  
HETATM    5  C   UNL     1       2.288  -0.962   1.859  1.00  0.00           C  
HETATM    6  C   UNL     1       2.905   0.232   1.550  1.00  0.00           C  
HETATM    7  C   UNL     1       2.666   0.842   0.331  1.00  0.00           C  
HETATM    8  S   UNL     1       3.459   2.367  -0.057  1.00  0.00           S  
HETATM    9  O   UNL     1       3.792   2.973   1.184  1.00  0.00           O  
HETATM   10  N   UNL     1       4.894   2.000  -0.798  1.00  0.00           N  
HETATM   11  O   UNL     1       2.651   3.001  -1.039  1.00  0.00           O  
HETATM   12  C   UNL     1       1.809   0.259  -0.586  1.00  0.00           C  
HETATM   13  C   UNL     1       1.190  -0.938  -0.291  1.00  0.00           C  
HETATM   14  S   UNL     1       0.105  -1.683  -1.463  1.00  0.00           S  
HETATM   15  O   UNL     1       0.011  -0.778  -2.555  1.00  0.00           O  
HETATM   16  O   UNL     1       0.532  -3.031  -1.605  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.399  -1.739  -0.772  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.106  -0.496  -0.454  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.584  -0.801  -0.202  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.311   0.478   0.125  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.877   1.230  -0.887  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.544   2.403  -0.587  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.646   2.824   0.725  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.081   2.072   1.738  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.418   0.896   1.439  1.00  0.00           C  
HETATM   26  H   UNL     1       0.631  -4.335   2.555  1.00  0.00           H  
HETATM   27  H   UNL     1       2.474  -1.437   2.812  1.00  0.00           H  
HETATM   28  H   UNL     1       3.575   0.692   2.261  1.00  0.00           H  
HETATM   29  H   UNL     1       1.628   0.740  -1.535  1.00  0.00           H  
HETATM   30  H   UNL     1       5.144   1.073  -0.938  1.00  0.00           H  
HETATM   31  H   UNL     1       5.484   2.711  -1.092  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.811  -2.595  -0.577  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.670  -0.048   0.439  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.015   0.197  -1.290  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.020  -1.248  -1.094  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.675  -1.494   0.634  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.798   0.901  -1.913  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.979   0.307   2.230  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.986   2.990  -1.379  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.167   3.740   0.960  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.160   2.401   2.764  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   26                                                 
CONECT    4    2    5   13   13                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   10                                       
CONECT    8   11   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8   30   31                                            
CONECT   11    8    8                                                 
CONECT   12    7    7   13   29                                       
CONECT   13    4    4   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   32                                            
CONECT   18   17   19   33   34                                       
CONECT   19   18   20   35   36                                       
CONECT   20   19   21   25   25                                       
CONECT   21   20   22   22   37                                       
CONECT   22   21   21   23   39                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   41                                       
CONECT   25   20   20   24   38                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29   12                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   25                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
