COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       5.547  -0.558  -0.845  1.00  0.00           S  
HETATM    2  N   UNL     1       3.540   0.989  -1.063  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.382   0.653   0.093  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.801   2.170   0.410  1.00  0.00           O  
HETATM    5  O   UNL     1       2.053  -0.501   1.943  1.00  0.00           O  
HETATM    6  O   UNL     1       3.701   1.099   1.734  1.00  0.00           O  
HETATM    7  O   UNL     1       5.365   1.745  -2.164  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.073   1.826   0.113  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.065   2.865  -0.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.368   2.611  -0.217  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.913   1.237   0.061  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.852   0.362  -1.191  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.887  -1.090  -0.781  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.750  -1.773  -0.659  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.785  -3.181  -0.253  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.714  -3.922  -0.037  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.301  -3.433  -0.171  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.061  -2.238   0.747  1.00  0.00           C  
HETATM   19  C   UNL     1       0.431  -1.895   0.783  1.00  0.00           C  
HETATM   20  C   UNL     1       0.711  -0.930   1.936  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.243   0.266   1.849  1.00  0.00           C  
HETATM   22  C   UNL     1       0.142   1.089   0.614  1.00  0.00           C  
HETATM   23  C   UNL     1       1.550   1.643   0.832  1.00  0.00           C  
HETATM   24  C   UNL     1       2.543   0.515   1.097  1.00  0.00           C  
HETATM   25  C   UNL     1       3.015  -0.075  -0.237  1.00  0.00           C  
HETATM   26  C   UNL     1       4.070  -1.154   0.038  1.00  0.00           C  
HETATM   27  C   UNL     1       4.805   0.919  -1.469  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.330   3.729  -0.550  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.993  -3.076  -1.624  1.00  0.00           C  
HETATM   30  H   UNL     1       2.981   1.740  -1.316  1.00  0.00           H  
HETATM   31  H   UNL     1       3.519   1.491   2.600  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.726   3.881  -0.367  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.348   0.770   0.866  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.957   1.329   0.378  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.713   0.578  -1.827  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.935   0.567  -1.742  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.832  -1.574  -0.589  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.824  -1.271  -0.875  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.765  -3.651  -0.120  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.871  -4.964   0.257  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.624  -4.244   0.134  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.617  -1.375   0.387  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.395  -2.484   1.757  1.00  0.00           H  
HETATM   44  H   UNL     1       1.008  -2.809   0.930  1.00  0.00           H  
HETATM   45  H   UNL     1       0.715  -1.434  -0.161  1.00  0.00           H  
HETATM   46  H   UNL     1       0.498  -1.460   2.878  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.269  -0.075   1.775  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.127   0.885   2.741  1.00  0.00           H  
HETATM   49  H   UNL     1       0.139   0.442  -0.263  1.00  0.00           H  
HETATM   50  H   UNL     1       1.861   2.198  -0.058  1.00  0.00           H  
HETATM   51  H   UNL     1       1.541   2.328   1.684  1.00  0.00           H  
HETATM   52  H   UNL     1       2.165  -0.531  -0.744  1.00  0.00           H  
HETATM   53  H   UNL     1       3.747  -2.115  -0.363  1.00  0.00           H  
HETATM   54  H   UNL     1       4.268  -1.232   1.107  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.772   4.649  -0.723  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.890   3.471  -1.449  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.021   3.873   0.280  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.672  -2.291  -1.957  1.00  0.00           H  
HETATM   59  H   UNL     1       0.036  -2.723  -1.701  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.122  -3.958  -2.251  1.00  0.00           H  
CONECT    1   26   27                                                 
CONECT    2   25   27   30                                            
CONECT    3    8    8                                                 
CONECT    4    8   22                                                 
CONECT    5   20   24                                                 
CONECT    6   24   31                                                 
CONECT    7   27   27                                                 
CONECT    8    3    3    4    9                                       
CONECT    9    8   10   10   32                                       
CONECT   10    9    9   11   28                                       
CONECT   11   10   12   33   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   14   37                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   29   41                                       
CONECT   18   17   19   42   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20    5   19   21   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22    4   21   23   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24    5    6   23   25                                       
CONECT   25    2   24   26   52                                       
CONECT   26    1   25   53   54                                       
CONECT   27    1    2    7    7                                       
CONECT   28   10   55   56   57                                       
CONECT   29   17   58   59   60                                       
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
