COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.991   2.672  -1.376  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.735   3.080  -0.268  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.462   4.380  -0.077  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.729   2.129   0.902  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.061   0.780   0.437  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.317   0.216   0.445  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.564   0.680   0.854  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.671  -0.130   0.741  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.558  -1.417   0.219  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.662  -2.204   0.115  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.900  -1.646   0.559  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.333  -1.897  -0.193  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.197  -1.084  -0.083  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.832  -1.274  -0.406  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.167  -0.132  -0.089  1.00  0.00           C  
HETATM   16  C   UNL     1       0.274   0.094  -0.271  1.00  0.00           C  
HETATM   17  O   UNL     1       0.784   1.122   0.133  1.00  0.00           O  
HETATM   18  N   UNL     1       1.030  -0.837  -0.886  1.00  0.00           N  
HETATM   19  S   UNL     1       2.672  -0.640  -0.980  1.00  0.00           S  
HETATM   20  O   UNL     1       3.120  -1.779  -1.702  1.00  0.00           O  
HETATM   21  O   UNL     1       2.838   0.671  -1.503  1.00  0.00           O  
HETATM   22  C   UNL     1       3.237  -0.715   0.742  1.00  0.00           C  
HETATM   23  C   UNL     1       4.733  -0.547   0.787  1.00  0.00           C  
HETATM   24  C   UNL     1       5.283   0.716   0.905  1.00  0.00           C  
HETATM   25  C   UNL     1       6.656   0.871   0.947  1.00  0.00           C  
HETATM   26  C   UNL     1       7.479  -0.237   0.871  1.00  0.00           C  
HETATM   27  C   UNL     1       6.929  -1.500   0.754  1.00  0.00           C  
HETATM   28  C   UNL     1       5.556  -1.655   0.717  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.482   4.952  -0.857  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.739   2.122   1.359  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.466   2.452   1.637  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.663   1.676   1.260  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.636   0.235   1.060  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.124  -0.750  -0.020  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.698  -2.376   0.421  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.824  -1.386   1.615  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.249  -2.895  -0.597  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.397  -2.166  -0.833  1.00  0.00           H  
HETATM   39  H   UNL     1       0.613  -1.622  -1.273  1.00  0.00           H  
HETATM   40  H   UNL     1       2.763   0.082   1.315  1.00  0.00           H  
HETATM   41  H   UNL     1       2.966  -1.680   1.171  1.00  0.00           H  
HETATM   42  H   UNL     1       4.640   1.582   0.964  1.00  0.00           H  
HETATM   43  H   UNL     1       7.086   1.857   1.038  1.00  0.00           H  
HETATM   44  H   UNL     1       8.552  -0.116   0.904  1.00  0.00           H  
HETATM   45  H   UNL     1       7.573  -2.366   0.695  1.00  0.00           H  
HETATM   46  H   UNL     1       5.127  -2.642   0.630  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   29                                                 
CONECT    4    5    2   30   31                                       
CONECT    5    6    4   15                                            
CONECT    6    7    7   13    5                                       
CONECT    7    8    6    6   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10   34   35   36                                       
CONECT   12    9   13   13   37                                       
CONECT   13   12   12    6   14                                       
CONECT   14   13   15   15   38                                       
CONECT   15    5   14   14   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   39                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   40   41                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   42                                       
CONECT   25   24   26   26   43                                       
CONECT   26   25   25   27   44                                       
CONECT   27   28   28   26   45                                       
CONECT   28   23   27   27   46                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   18                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
