COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.444   1.622   1.587  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.144   0.329   1.568  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.595  -0.289   2.765  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.418   0.228   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.605   1.112   0.667  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.679   1.027  -0.419  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.788   1.853  -0.058  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.853   1.845  -1.011  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.665   0.639  -0.826  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.871   0.732  -0.238  1.00  0.00           C  
HETATM   11  O   UNL     1      -8.276   1.817   0.133  1.00  0.00           O  
HETATM   12  N   UNL     1      -8.638  -0.359  -0.056  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.191  -0.570  -1.257  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.939  -1.681  -1.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.204  -1.570  -0.462  1.00  0.00           C  
HETATM   16  O   UNL     1      -8.897  -2.558  -0.297  1.00  0.00           O  
HETATM   17  N   UNL     1       1.068  -0.663   1.029  1.00  0.00           N  
HETATM   18  C   UNL     1       1.799  -0.327  -0.195  1.00  0.00           C  
HETATM   19  C   UNL     1       1.170  -1.059  -1.382  1.00  0.00           C  
HETATM   20  C   UNL     1       3.239  -0.749  -0.052  1.00  0.00           C  
HETATM   21  C   UNL     1       3.550  -1.949   0.561  1.00  0.00           C  
HETATM   22  C   UNL     1       4.870  -2.338   0.694  1.00  0.00           C  
HETATM   23  C   UNL     1       5.882  -1.528   0.216  1.00  0.00           C  
HETATM   24  C   UNL     1       5.573  -0.324  -0.398  1.00  0.00           C  
HETATM   25  C   UNL     1       4.247   0.062  -0.536  1.00  0.00           C  
HETATM   26  O   UNL     1       6.566   0.475  -0.869  1.00  0.00           O  
HETATM   27  C   UNL     1       7.898  -0.041  -0.808  1.00  0.00           C  
HETATM   28  C   UNL     1       8.779   0.646  -1.866  1.00  0.00           C  
HETATM   29  C   UNL     1       9.911   1.360  -1.099  1.00  0.00           C  
HETATM   30  C   UNL     1      10.008   0.588   0.240  1.00  0.00           C  
HETATM   31  C   UNL     1       8.526   0.278   0.564  1.00  0.00           C  
HETATM   32  H   UNL     1      -1.003   0.570  -0.668  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.752  -0.805   0.180  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.019   0.770   1.615  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.271   2.145   0.767  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.265   1.369  -1.368  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.013  -0.006  -0.520  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.476   2.728  -0.867  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.439   1.853  -2.019  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.506  -0.275   0.370  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.223  -0.635  -1.732  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.577  -2.641  -1.423  1.00  0.00           H  
HETATM   43  H   UNL     1       1.293  -1.466   1.524  1.00  0.00           H  
HETATM   44  H   UNL     1       1.751   0.748  -0.364  1.00  0.00           H  
HETATM   45  H   UNL     1       1.219  -2.135  -1.214  1.00  0.00           H  
HETATM   46  H   UNL     1       0.129  -0.754  -1.486  1.00  0.00           H  
HETATM   47  H   UNL     1       1.714  -0.809  -2.293  1.00  0.00           H  
HETATM   48  H   UNL     1       2.760  -2.583   0.936  1.00  0.00           H  
HETATM   49  H   UNL     1       5.110  -3.276   1.173  1.00  0.00           H  
HETATM   50  H   UNL     1       6.913  -1.832   0.321  1.00  0.00           H  
HETATM   51  H   UNL     1       4.003   0.997  -1.019  1.00  0.00           H  
HETATM   52  H   UNL     1       7.888  -1.119  -0.974  1.00  0.00           H  
HETATM   53  H   UNL     1       9.197  -0.097  -2.544  1.00  0.00           H  
HETATM   54  H   UNL     1       8.191   1.374  -2.426  1.00  0.00           H  
HETATM   55  H   UNL     1      10.849   1.287  -1.650  1.00  0.00           H  
HETATM   56  H   UNL     1       9.653   2.403  -0.921  1.00  0.00           H  
HETATM   57  H   UNL     1      10.577  -0.333   0.115  1.00  0.00           H  
HETATM   58  H   UNL     1      10.453   1.213   1.015  1.00  0.00           H  
HETATM   59  H   UNL     1       8.043   1.147   1.011  1.00  0.00           H  
HETATM   60  H   UNL     1       8.452  -0.584   1.227  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3   17    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    7    5   36   37                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   38   39                                       
CONECT    9   13   10    8                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   15   10   40                                            
CONECT   13   14   14    9   41                                       
CONECT   14   15   13   13   42                                       
CONECT   15   16   16   14   12                                       
CONECT   16   15   15                                                 
CONECT   17   18    2   43                                            
CONECT   18   20   19   17   44                                       
CONECT   19   18   45   46   47                                       
CONECT   20   21   18   25   25                                       
CONECT   21   22   22   20   48                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   25   26                                       
CONECT   25   20   20   24   51                                       
CONECT   26   24   27                                                 
CONECT   27   26   28   31   52                                       
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   55   56                                       
CONECT   30   31   29   57   58                                       
CONECT   31   27   30   59   60                                       
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
