COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.326  -1.134   0.339  1.00  0.00           O  
HETATM    2  O   UNL     1      -5.999   1.824   0.728  1.00  0.00           O  
HETATM    3  O   UNL     1       4.800  -2.388  -0.217  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.239  -2.553   0.491  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.204  -1.975  -0.340  1.00  0.00           O  
HETATM    6  O   UNL     1       3.743  -0.058  -1.526  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.053  -0.053  -2.077  1.00  0.00           O  
HETATM    8  O   UNL     1       2.445  -1.265   1.677  1.00  0.00           O  
HETATM    9  O   UNL     1       1.769   3.520   0.682  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.147   2.603  -0.463  1.00  0.00           O1-
HETATM   11  O   UNL     1       2.075   2.189  -1.307  1.00  0.00           O  
HETATM   12  C   UNL     1       6.198  -0.417  -0.169  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.863   1.125   1.239  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.073  -1.995  -0.475  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.270   0.148   0.105  1.00  0.00           C  
HETATM   16  O   UNL     1       1.348   1.168   0.727  1.00  0.00           O  
HETATM   17  C   UNL     1       4.910  -1.073   0.331  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.615  -1.928  -0.632  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.074  -0.758   0.399  1.00  0.00           C  
HETATM   20  C   UNL     1       3.707  -0.236  -0.108  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.044  -0.462  -0.708  1.00  0.00           C  
HETATM   22  C   UNL     1       2.414  -0.955   0.283  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.108   0.466   0.082  1.00  0.00           C  
HETATM   24  C   UNL     1       1.218  -0.048  -0.012  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.786  -0.631   0.726  1.00  0.00           S1+
HETATM   26  S   UNL     1       1.258   2.424  -0.127  1.00  0.00           S  
HETATM   27  H   UNL     1       8.179  -0.773   0.062  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.526   2.267   1.408  1.00  0.00           H  
HETATM   29  H   UNL     1       4.775  -2.411  -1.184  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.023  -3.490   0.591  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.239  -1.851  -1.298  1.00  0.00           H  
HETATM   32  H   UNL     1       3.714  -0.885  -2.027  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.673  -0.546  -2.631  1.00  0.00           H  
HETATM   34  H   UNL     1       2.526  -0.490   2.251  1.00  0.00           H  
HETATM   35  H   UNL     1       6.238   0.615   0.177  1.00  0.00           H  
HETATM   36  H   UNL     1       6.217  -0.437  -1.258  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.204   1.826   1.750  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.193   0.358   1.940  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.761  -2.954  -0.062  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.128   1.110   0.597  1.00  0.00           H  
HETATM   41  H   UNL     1       4.931  -1.134   1.419  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.912  -2.441  -1.547  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.041  -0.983   1.465  1.00  0.00           H  
HETATM   44  H   UNL     1       3.744   0.738   0.381  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.052  -0.368  -0.306  1.00  0.00           H  
HETATM   46  H   UNL     1       2.323  -1.876  -0.292  1.00  0.00           H  
HETATM   47  H   UNL     1       1.185   0.176  -1.078  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.572  -1.796  -1.422  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.355   0.300  -0.971  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.684   1.226  -0.575  1.00  0.00           H  
CONECT    1   12   27                                                 
CONECT    2   13   28                                                 
CONECT    3   17   29                                                 
CONECT    4   18   30                                                 
CONECT    5   19   31                                                 
CONECT    6   20   32                                                 
CONECT    7   21   33                                                 
CONECT    8   22   34                                                 
CONECT    9   26   26                                                 
CONECT   10   26                                                      
CONECT   11   26   26                                                 
CONECT   12    1   17   35   36                                       
CONECT   13    2   23   37   38                                       
CONECT   14   18   25   39   48                                       
CONECT   15   19   25   40   49                                       
CONECT   16   24   26                                                 
CONECT   17    3   12   20   41                                       
CONECT   18    4   14   21   42                                       
CONECT   19    5   15   24   43                                       
CONECT   20    6   17   22   44                                       
CONECT   21    7   18   23   45                                       
CONECT   22    8   20   24   46                                       
CONECT   23   13   21   25   50                                       
CONECT   24   16   19   22   47                                       
CONECT   25   14   15   23                                            
CONECT   26    9    9   10   11                                       
CONECT   26   11   16                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
