COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.238   1.018  -1.997  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.516   1.112  -0.607  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.536   1.945  -0.073  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.871  -0.524  -0.058  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.384  -1.610  -0.761  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.663  -2.893  -0.331  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.429  -3.091   0.803  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.915  -2.005   1.507  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.632  -0.721   1.079  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.103   1.578   0.121  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.853   0.882  -0.194  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.668   1.715   0.299  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.414   1.018  -0.016  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.305  -0.237   0.739  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.063  -1.004   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.254   1.885   0.224  1.00  0.00           C  
HETATM   17  C   UNL     1       1.019   1.181  -0.251  1.00  0.00           C  
HETATM   18  C   UNL     1       1.179  -0.139   0.508  1.00  0.00           C  
HETATM   19  C   UNL     1       2.418  -0.877  -0.006  1.00  0.00           C  
HETATM   20  O   UNL     1       3.607  -0.109   0.317  1.00  0.00           O  
HETATM   21  C   UNL     1       4.792  -0.625  -0.069  1.00  0.00           C  
HETATM   22  O   UNL     1       4.829  -1.687  -0.660  1.00  0.00           O  
HETATM   23  C   UNL     1       6.036   0.096   0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       7.405  -0.326  -0.127  1.00  0.00           C  
HETATM   25  C   UNL     1       8.254   0.682   0.358  1.00  0.00           C  
HETATM   26  N   UNL     1       7.460   1.640   0.955  1.00  0.00           N  
HETATM   27  C   UNL     1       6.154   1.293   0.869  1.00  0.00           C  
HETATM   28  C   UNL     1       7.937  -1.432  -0.784  1.00  0.00           C  
HETATM   29  C   UNL     1       9.300  -1.532  -0.956  1.00  0.00           C  
HETATM   30  C   UNL     1      10.141  -0.537  -0.478  1.00  0.00           C  
HETATM   31  C   UNL     1       9.627   0.562   0.174  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.786  -1.456  -1.647  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.283  -3.742  -0.880  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.647  -4.094   1.140  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.513  -2.159   2.393  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.009   0.127   1.630  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.103   2.311   0.757  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.844  -0.090   0.299  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.776   0.744  -1.272  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.677   2.687  -0.193  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.745   1.854   1.378  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.221  -0.014   1.803  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.193  -0.844   0.565  1.00  0.00           H  
HETATM   44  H   UNL     1       0.026  -1.928   0.852  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.153  -1.240  -0.781  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.379   2.819  -0.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.175   2.098   1.291  1.00  0.00           H  
HETATM   48  H   UNL     1       0.946   0.980  -1.319  1.00  0.00           H  
HETATM   49  H   UNL     1       1.881   1.819  -0.058  1.00  0.00           H  
HETATM   50  H   UNL     1       1.291   0.064   1.573  1.00  0.00           H  
HETATM   51  H   UNL     1       2.478  -1.857   0.467  1.00  0.00           H  
HETATM   52  H   UNL     1       2.346  -0.998  -1.087  1.00  0.00           H  
HETATM   53  H   UNL     1       7.792   2.449   1.375  1.00  0.00           H  
HETATM   54  H   UNL     1       5.330   1.875   1.255  1.00  0.00           H  
HETATM   55  H   UNL     1       7.285  -2.208  -1.157  1.00  0.00           H  
HETATM   56  H   UNL     1       9.717  -2.389  -1.465  1.00  0.00           H  
HETATM   57  H   UNL     1      11.208  -0.625  -0.618  1.00  0.00           H  
HETATM   58  H   UNL     1      10.291   1.331   0.542  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    4   10                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2    9    9                                       
CONECT    5    6    6    4   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    4    4    8   36                                       
CONECT   10    2   11   37                                            
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   16                                            
CONECT   14   13   15   42   43                                       
CONECT   15   14   18   44   45                                       
CONECT   16   13   17   46   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   15   17   19   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   27   27                                       
CONECT   24   28   23   25   25                                       
CONECT   25   24   24   31   26                                       
CONECT   26   27   25   53                                            
CONECT   27   23   23   26   54                                       
CONECT   28   29   29   24   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   29   31   31   57                                       
CONECT   31   30   30   25   58                                       
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
