COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.111  -0.072  -0.489  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.328  -0.776   0.137  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.832  -2.145   0.646  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.311  -1.944   0.857  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.918  -1.038  -0.337  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.637  -0.262  -0.022  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.477  -1.233   0.119  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.350   0.682  -1.120  1.00  0.00           N  
HETATM    9  S   UNL     1      -2.062   1.709  -0.860  1.00  0.00           S  
HETATM   10  O   UNL     1      -2.496   2.680   0.082  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.534   2.036  -2.138  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.849   0.713  -0.045  1.00  0.00           C  
HETATM   13  C   UNL     1       0.407   1.247   0.184  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.152  -0.571   0.357  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.174  -1.314   1.014  1.00  0.00           C  
HETATM   16  C   UNL     1       1.077  -0.783   1.247  1.00  0.00           C  
HETATM   17  C   UNL     1       2.121  -1.604   1.958  1.00  0.00           C  
HETATM   18  C   UNL     1       1.374   0.500   0.829  1.00  0.00           C  
HETATM   19  S   UNL     1       2.975   1.179   1.115  1.00  0.00           S  
HETATM   20  O   UNL     1       2.954   2.496   0.582  1.00  0.00           O  
HETATM   21  O   UNL     1       3.295   0.894   2.470  1.00  0.00           O  
HETATM   22  N   UNL     1       4.045   0.317   0.191  1.00  0.00           N  
HETATM   23  C   UNL     1       4.775  -0.830   0.754  1.00  0.00           C  
HETATM   24  C   UNL     1       4.596  -2.028  -0.185  1.00  0.00           C  
HETATM   25  N   UNL     1       4.995  -1.645  -1.545  1.00  0.00           N  
HETATM   26  C   UNL     1       5.002  -2.809  -2.440  1.00  0.00           C  
HETATM   27  C   UNL     1       4.131  -0.580  -2.074  1.00  0.00           C  
HETATM   28  C   UNL     1       4.287   0.674  -1.215  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.297   0.129  -1.544  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.906   0.859   0.039  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.714  -0.186   0.968  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.105  -0.917  -0.615  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.317  -2.400   1.589  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.015  -2.919  -0.099  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.115  -1.441   1.804  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.785  -2.897   0.811  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.791  -1.633  -1.242  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.766   0.290   0.909  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.685  -1.903   0.953  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.407  -1.826  -0.793  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.874   0.704  -1.936  1.00  0.00           H  
HETATM   42  H   UNL     1       0.632   2.251  -0.143  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.399  -2.316   1.346  1.00  0.00           H  
HETATM   44  H   UNL     1       2.768  -2.085   1.224  1.00  0.00           H  
HETATM   45  H   UNL     1       2.718  -0.955   2.599  1.00  0.00           H  
HETATM   46  H   UNL     1       1.633  -2.365   2.566  1.00  0.00           H  
HETATM   47  H   UNL     1       5.834  -0.585   0.837  1.00  0.00           H  
HETATM   48  H   UNL     1       4.374  -1.072   1.738  1.00  0.00           H  
HETATM   49  H   UNL     1       5.219  -2.854   0.158  1.00  0.00           H  
HETATM   50  H   UNL     1       3.550  -2.336  -0.185  1.00  0.00           H  
HETATM   51  H   UNL     1       4.003  -3.244  -2.478  1.00  0.00           H  
HETATM   52  H   UNL     1       5.301  -2.497  -3.441  1.00  0.00           H  
HETATM   53  H   UNL     1       5.707  -3.551  -2.065  1.00  0.00           H  
HETATM   54  H   UNL     1       4.418  -0.356  -3.102  1.00  0.00           H  
HETATM   55  H   UNL     1       3.092  -0.909  -2.049  1.00  0.00           H  
HETATM   56  H   UNL     1       3.563   1.425  -1.531  1.00  0.00           H  
HETATM   57  H   UNL     1       5.298   1.066  -1.324  1.00  0.00           H  
CONECT    1    2    5   29   30                                       
CONECT    2    1    3   31   32                                       
CONECT    3    2    4   33   34                                       
CONECT    4    3    5   35   36                                       
CONECT    5    1    4    6   37                                       
CONECT    6    5    8    7   38                                       
CONECT    7    6   14   39   40                                       
CONECT    8    6    9   41                                            
CONECT    9    8   11   11   12                                       
CONECT    9   10   10                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   13   14                                       
CONECT   13   12   12   18   42                                       
CONECT   14    7   12   15   15                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   18   18   17                                       
CONECT   17   16   44   45   46                                       
CONECT   18   13   16   16   19                                       
CONECT   19   18   21   21   20                                       
CONECT   19   20   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   28                                            
CONECT   23   22   24   47   48                                       
CONECT   24   23   25   49   50                                       
CONECT   25   24   26   27                                            
CONECT   26   25   51   52   53                                       
CONECT   27   25   28   54   55                                       
CONECT   28   22   27   56   57                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
