COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.524   2.306   2.430  1.00  0.00           O  
HETATM    2  W   UNL     1       2.083   1.697   1.603  1.00  0.00           W  
HETATM    3  O   UNL     1      -1.441   1.911   4.043  1.00  0.00           O  
HETATM    4  W   UNL     1      -0.615   1.685   2.531  1.00  0.00           W  
HETATM    5  O   UNL     1      -0.089   4.939  -0.064  1.00  0.00           O  
HETATM    6  W   UNL     1       0.031   3.202   0.228  1.00  0.00           W  
HETATM    7  O   UNL     1      -3.325  -2.526  -2.486  1.00  0.00           O  
HETATM    8  W   UNL     1      -2.362  -1.433  -1.483  1.00  0.00           W  
HETATM    9  O   UNL     1      -4.389  -0.038   2.060  1.00  0.00           O  
HETATM   10  W   UNL     1      -3.127  -0.021   0.875  1.00  0.00           W  
HETATM   11  O   UNL     1      -3.345   2.559  -2.432  1.00  0.00           O  
HETATM   12  W   UNL     1      -2.373   1.452  -1.454  1.00  0.00           W  
HETATM   13  O   UNL     1      -0.053  -4.936  -0.180  1.00  0.00           O  
HETATM   14  W   UNL     1       0.053  -3.206   0.158  1.00  0.00           W  
HETATM   15  O   UNL     1       3.540  -2.339   2.372  1.00  0.00           O  
HETATM   16  W   UNL     1       2.092  -1.721   1.564  1.00  0.00           W  
HETATM   17  O   UNL     1      -1.429  -2.012   3.999  1.00  0.00           O  
HETATM   18  W   UNL     1      -0.604  -1.749   2.492  1.00  0.00           W  
HETATM   19  O   UNL     1       4.727   0.031  -1.520  1.00  0.00           O  
HETATM   20  W   UNL     1       2.987   0.025  -1.230  1.00  0.00           W  
HETATM   21  O   UNL     1       1.028  -2.465  -3.988  1.00  0.00           O  
HETATM   22  W   UNL     1       0.876  -1.391  -2.587  1.00  0.00           W  
HETATM   23  O   UNL     1       1.011   2.560  -3.936  1.00  0.00           O  
HETATM   24  W   UNL     1       0.866   1.458  -2.556  1.00  0.00           W  
HETATM   25  O   UNL     1      -0.726  -3.691   1.955  1.00  0.00           O  
HETATM   26  O   UNL     1       0.943   0.049  -3.993  1.00  0.00           O  
HETATM   27  O   UNL     1       1.850  -3.629   0.962  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.844   3.123  -0.482  1.00  0.00           O  
HETATM   29  O   UNL     1       1.154   2.277   3.302  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.820  -3.123  -0.552  1.00  0.00           O  
HETATM   31  O   UNL     1       1.040  -3.116  -1.585  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.074  -1.519  -3.015  1.00  0.00           O  
HETATM   33  O   UNL     1       2.537  -0.022   2.530  1.00  0.00           O  
HETATM   34  O   UNL     1       1.168  -2.346   3.250  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.270   0.017  -2.548  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.033   1.342  -0.307  1.00  0.00           O  
HETATM   37  O   UNL     1       2.879   1.441  -2.652  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.214   1.675   1.361  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.086   1.580  -2.984  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.025  -1.362  -0.337  1.00  0.00           O  
HETATM   41  O   UNL     1       3.354   1.516   0.060  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.748   3.638   2.038  1.00  0.00           O  
HETATM   43  O   UNL     1       2.888  -1.353  -2.690  1.00  0.00           O  
HETATM   44  O   UNL     1       1.007   3.171  -1.525  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.204  -1.722   1.323  1.00  0.00           O  
HETATM   46  O   UNL     1       0.276  -0.034   2.955  1.00  0.00           O  
HETATM   47  O   UNL     1       3.351  -1.499   0.020  1.00  0.00           O  
HETATM   48  O   UNL     1       1.827   3.614   1.037  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.527   0.001  -0.375  1.00  0.00           O2+
HETATM   50  O   UNL     1       0.319  -1.316   0.746  1.00  0.00           O1+
HETATM   51  O   UNL     1       0.975   0.020  -1.169  1.00  0.00           O2+
HETATM   52  O   UNL     1       0.312   1.303   0.775  1.00  0.00           O1+
HETATM   53  H   UNL     1       0.630   0.007  -0.309  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.685   0.001   0.015  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   48   41                                       
CONECT    2   29   52   33                                            
CONECT    3    4    4                                                 
CONECT    4    3    3   38   46                                       
CONECT    4   42   29   52                                            
CONECT    5    6    6                                                 
CONECT    6    5    5   28   42                                       
CONECT    6   48   44   52                                            
CONECT    7    8    8                                                 
CONECT    8    7    7   40   30                                       
CONECT    8   35   49   32                                            
CONECT    9   10   10                                                 
CONECT   10    9    9   40   45                                       
CONECT   10   36   38   49                                            
CONECT   11   12   12                                                 
CONECT   12   11   11   36   35                                       
CONECT   12   28   39   49                                            
CONECT   13   14   14                                                 
CONECT   14   13   13   25   30                                       
CONECT   14   50   27   31                                            
CONECT   15   16   16                                                 
CONECT   16   15   15   34   27                                       
CONECT   16   33   47   50                                            
CONECT   17   18   18                                                 
CONECT   18   17   17   45   25                                       
CONECT   18   46   50   34                                            
CONECT   19   20   20                                                 
CONECT   20   19   19   51   47                                       
CONECT   20   43   41   37                                            
CONECT   21   22   22                                                 
CONECT   22   21   21   32   31                                       
CONECT   22   26   43   51                                            
CONECT   23   24   24                                                 
CONECT   24   23   23   39   51                                       
CONECT   24   26   44   37                                            
CONECT   25   14   18                                                 
CONECT   26   22   24                                                 
CONECT   27   14   16                                                 
CONECT   28    6   12                                                 
CONECT   29    2    4                                                 
CONECT   30    8   14                                                 
CONECT   31   14   22                                                 
CONECT   32    8   22                                                 
CONECT   33    2   16                                                 
CONECT   34   16   18                                                 
CONECT   35    8   12                                                 
CONECT   36   10   12                                                 
CONECT   37   20   24                                                 
CONECT   38    4   10                                                 
CONECT   39   12   24                                                 
CONECT   40    8   10                                                 
CONECT   41    2   20                                                 
CONECT   42    4    6                                                 
CONECT   43   20   22                                                 
CONECT   44    6   24                                                 
CONECT   45   10   18                                                 
CONECT   46    4   18                                                 
CONECT   47   16   20                                                 
CONECT   48    2    6                                                 
CONECT   49    8   10   12   54                                       
CONECT   50   14   16   18                                            
CONECT   51   20   22   24   53                                       
CONECT   52    2    4    6                                            
CONECT   53   51                                                      
CONECT   54   49                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
