COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.553   1.821  -0.602  1.00  0.00           O  
HETATM    2  O   UNL     1      -4.998  -1.922  -1.388  1.00  0.00           O  
HETATM    3  O   UNL     1       2.946   2.393   0.465  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.574   2.164   0.321  1.00  0.00           O  
HETATM    5  O   UNL     1       0.558   1.907   0.529  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.908  -1.028   1.822  1.00  0.00           O  
HETATM    7  O   UNL     1       2.235  -2.542   1.639  1.00  0.00           O  
HETATM    8  O   UNL     1       3.823  -2.003  -0.095  1.00  0.00           O1-
HETATM    9  O   UNL     1       1.489  -2.280  -0.640  1.00  0.00           O  
HETATM   10  C   UNL     1       4.539   0.826  -0.456  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.984  -0.965  -1.700  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.278   1.559   0.867  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.381  -0.035  -0.561  1.00  0.00           C  
HETATM   14  O   UNL     1       2.217  -0.383   0.617  1.00  0.00           O  
HETATM   15  C   UNL     1       3.161   1.474  -0.609  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.783   1.267   1.103  1.00  0.00           C  
HETATM   17  C   UNL     1       0.700   1.048  -0.604  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.081  -0.175   0.688  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.163  -0.662  -0.445  1.00  0.00           C  
HETATM   20  C   UNL     1       2.081   0.391  -0.577  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.013   0.732  -0.756  1.00  0.00           S1+
HETATM   22  S   UNL     1       2.451  -1.866   0.369  1.00  0.00           S  
HETATM   23  H   UNL     1       6.454   1.480  -0.516  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.557  -2.162  -2.139  1.00  0.00           H  
HETATM   25  H   UNL     1       2.975   1.987   1.342  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.446   3.096   0.542  1.00  0.00           H  
HETATM   27  H   UNL     1       0.642   1.454   1.379  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.503  -0.828   2.558  1.00  0.00           H  
HETATM   29  H   UNL     1       4.667   0.061  -1.222  1.00  0.00           H  
HETATM   30  H   UNL     1       4.617   0.368   0.531  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.329  -1.368  -2.473  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.449  -0.047  -2.060  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.092   2.630   0.797  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.663   1.105   1.644  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.215  -0.746  -1.370  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.335  -0.555   0.395  1.00  0.00           H  
HETATM   37  H   UNL     1       3.114   2.007  -1.558  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.020   1.397   2.159  1.00  0.00           H  
HETATM   39  H   UNL     1       0.593   1.632  -1.518  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.116  -0.239   0.354  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.611  -1.548  -0.131  1.00  0.00           H  
HETATM   42  H   UNL     1       2.192  -0.258  -1.445  1.00  0.00           H  
CONECT    1   10   23                                                 
CONECT    2   11   24                                                 
CONECT    3   15   25                                                 
CONECT    4   16   26                                                 
CONECT    5   17   27                                                 
CONECT    6   18   28                                                 
CONECT    7   22   22                                                 
CONECT    8   22                                                      
CONECT    9   22   22                                                 
CONECT   10    1   15   29   30                                       
CONECT   11    2   19   31   32                                       
CONECT   12   16   21   33   34                                       
CONECT   13   17   21   35   36                                       
CONECT   14   20   22                                                 
CONECT   15    3   10   20   37                                       
CONECT   16    4   12   18   38                                       
CONECT   17    5   13   20   39                                       
CONECT   18    6   16   19   40                                       
CONECT   19   11   18   21   41                                       
CONECT   20   14   15   17   42                                       
CONECT   21   12   13   19                                            
CONECT   22    7    7    8    9                                       
CONECT   22    9   14                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
