COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.862  -1.485  -0.563  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.359  -1.648  -0.802  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.749  -2.475   0.332  1.00  0.00           C  
HETATM    4  O   UNL     1       3.949   0.531   0.391  1.00  0.00           O  
HETATM    5  S   UNL     1       4.752  -0.761   0.336  1.00  0.00           S  
HETATM    6  O   UNL     1       5.960  -0.513   1.042  1.00  0.00           O  
HETATM    7  O   UNL     1       3.852  -1.806   0.678  1.00  0.00           O  
HETATM    8  N   UNL     1       5.176  -1.007  -1.246  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.925   1.413  -0.392  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.359   0.630   0.660  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.084  -0.717   0.744  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.482  -0.496   0.937  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.474  -2.773  -0.469  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.371  -2.726   0.051  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.741  -0.360  -0.837  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.875   0.385   0.375  1.00  0.00           C  
HETATM   17  S   UNL     1      -1.021   1.976   0.204  1.00  0.00           S  
HETATM   18  O   UNL     1      -1.526   2.696  -0.913  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.872   2.601   1.472  1.00  0.00           O  
HETATM   20  N   UNL     1       0.524   1.571  -0.235  1.00  0.00           N  
HETATM   21  C   UNL     1       1.640   1.310   0.692  1.00  0.00           C  
HETATM   22  C   UNL     1       1.007   1.407  -1.614  1.00  0.00           C  
HETATM   23  C   UNL     1       2.495   1.003  -1.533  1.00  0.00           C  
HETATM   24  C   UNL     1       2.615   0.408  -0.106  1.00  0.00           C  
HETATM   25  H   UNL     1      -4.305  -0.931  -1.391  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.835  -1.926   1.269  1.00  0.00           H  
HETATM   27  H   UNL     1       4.904  -0.371  -1.926  1.00  0.00           H  
HETATM   28  H   UNL     1       5.698  -1.787  -1.492  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.865   1.607  -0.276  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.465   1.161   1.607  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.686  -1.294   1.578  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.005  -1.308   0.992  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.368  -3.317  -1.262  1.00  0.00           H  
HETATM   34  H   UNL     1       0.080  -3.247   0.729  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.434  -0.178   1.198  1.00  0.00           H  
HETATM   36  H   UNL     1       2.128   2.243   0.970  1.00  0.00           H  
HETATM   37  H   UNL     1       1.282   0.788   1.579  1.00  0.00           H  
HETATM   38  H   UNL     1       0.438   0.625  -2.116  1.00  0.00           H  
HETATM   39  H   UNL     1       0.908   2.347  -2.156  1.00  0.00           H  
HETATM   40  H   UNL     1       2.731   0.250  -2.284  1.00  0.00           H  
HETATM   41  H   UNL     1       3.138   1.876  -1.645  1.00  0.00           H  
HETATM   42  H   UNL     1       2.288  -0.631  -0.090  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.195  -2.157  -1.752  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.281  -3.423   0.417  1.00  0.00           H  
CONECT    1   11   13    2   25                                       
CONECT    2    1   15    3   43                                       
CONECT    3    2   14   26   44                                       
CONECT    4   24    5                                                 
CONECT    5    4    8    6    6                                       
CONECT    5    7    7                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5   27   28                                            
CONECT    9   10   29                                                 
CONECT   10    9   11   16   30                                       
CONECT   11   12    1   10   31                                       
CONECT   12   11   32                                                 
CONECT   13    1   33                                                 
CONECT   14    3   34                                                 
CONECT   15    2   16                                                 
CONECT   16   10   17   15   35                                       
CONECT   17   19   19   18   18                                       
CONECT   17   16   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   22   21                                            
CONECT   21   20   24   36   37                                       
CONECT   22   20   23   38   39                                       
CONECT   23   22   24   40   41                                       
CONECT   24   21   23    4   42                                       
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
