COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.815   2.099  -2.020  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.513   1.550  -1.865  1.00  0.00           S  
HETATM    3  O   UNL     1       0.412   1.427  -2.936  1.00  0.00           O  
HETATM    4  C   UNL     1       0.287   2.512  -0.624  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.466   3.207   0.304  1.00  0.00           C  
HETATM    6  C   UNL     1       0.162   3.962   1.278  1.00  0.00           C  
HETATM    7  C   UNL     1       1.542   4.022   1.322  1.00  0.00           C  
HETATM    8  C   UNL     1       2.227   4.845   2.383  1.00  0.00           C  
HETATM    9  C   UNL     1       2.295   3.326   0.395  1.00  0.00           C  
HETATM   10  C   UNL     1       1.667   2.568  -0.576  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.719   0.027  -1.247  1.00  0.00           N  
HETATM   12  C   UNL     1       0.256  -1.024  -1.551  1.00  0.00           C  
HETATM   13  C   UNL     1       1.273  -1.101  -0.442  1.00  0.00           C  
HETATM   14  N   UNL     1       2.273  -2.002  -0.506  1.00  0.00           N  
HETATM   15  C   UNL     1       3.262  -2.078   0.572  1.00  0.00           C  
HETATM   16  C   UNL     1       3.868  -3.482   0.611  1.00  0.00           C  
HETATM   17  C   UNL     1       4.852  -3.580   1.779  1.00  0.00           C  
HETATM   18  C   UNL     1       2.753  -4.514   0.794  1.00  0.00           C  
HETATM   19  C   UNL     1       4.368  -1.051   0.322  1.00  0.00           C  
HETATM   20  C   UNL     1       5.034  -1.337  -1.026  1.00  0.00           C  
HETATM   21  C   UNL     1       3.765   0.355   0.305  1.00  0.00           C  
HETATM   22  O   UNL     1       1.192  -0.352   0.509  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.823  -0.255  -0.436  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.940   0.344   0.812  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.030   0.065   1.614  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.805  -1.131  -0.879  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.897  -1.410  -0.075  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.860  -2.267  -0.508  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.681  -2.844  -1.803  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.008  -0.812   1.177  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.080  -1.086   1.969  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.132  -0.433   3.239  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.544   3.160   0.269  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.426   4.505   2.003  1.00  0.00           H  
HETATM   35  H   UNL     1       3.177   5.216   1.998  1.00  0.00           H  
HETATM   36  H   UNL     1       1.591   5.688   2.655  1.00  0.00           H  
HETATM   37  H   UNL     1       2.407   4.227   3.263  1.00  0.00           H  
HETATM   38  H   UNL     1       3.373   3.373   0.430  1.00  0.00           H  
HETATM   39  H   UNL     1       2.255   2.022  -1.299  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.258  -1.981  -1.640  1.00  0.00           H  
HETATM   41  H   UNL     1       0.759  -0.793  -2.490  1.00  0.00           H  
HETATM   42  H   UNL     1       2.338  -2.602  -1.266  1.00  0.00           H  
HETATM   43  H   UNL     1       2.777  -1.864   1.525  1.00  0.00           H  
HETATM   44  H   UNL     1       4.394  -3.677  -0.324  1.00  0.00           H  
HETATM   45  H   UNL     1       5.646  -2.845   1.649  1.00  0.00           H  
HETATM   46  H   UNL     1       4.326  -3.386   2.714  1.00  0.00           H  
HETATM   47  H   UNL     1       5.283  -4.581   1.807  1.00  0.00           H  
HETATM   48  H   UNL     1       2.104  -4.506  -0.081  1.00  0.00           H  
HETATM   49  H   UNL     1       3.192  -5.505   0.913  1.00  0.00           H  
HETATM   50  H   UNL     1       2.171  -4.265   1.681  1.00  0.00           H  
HETATM   51  H   UNL     1       5.113  -1.118   1.115  1.00  0.00           H  
HETATM   52  H   UNL     1       5.822  -0.605  -1.205  1.00  0.00           H  
HETATM   53  H   UNL     1       5.463  -2.339  -1.014  1.00  0.00           H  
HETATM   54  H   UNL     1       4.289  -1.270  -1.820  1.00  0.00           H  
HETATM   55  H   UNL     1       4.565   1.092   0.234  1.00  0.00           H  
HETATM   56  H   UNL     1       3.101   0.455  -0.554  1.00  0.00           H  
HETATM   57  H   UNL     1       3.200   0.519   1.222  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.178   1.028   1.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.119   0.532   2.584  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.717  -1.594  -1.851  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.636  -2.052  -2.550  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.752  -3.414  -1.821  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.518  -3.506  -2.025  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.256  -0.709   3.826  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.145   0.647   3.092  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.035  -0.738   3.768  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   11    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   10                                       
CONECT    5    4    4   33    6                                       
CONECT    6    5   34    7    7                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   35   36   37                                       
CONECT    9    7   10   10   38                                       
CONECT   10    4    9    9   39                                       
CONECT   11    2   23   12                                            
CONECT   12   11   13   40   41                                       
CONECT   13   12   22   22   14                                       
CONECT   14   13   15   42                                            
CONECT   15   14   43   19   16                                       
CONECT   16   15   17   44   18                                       
CONECT   17   16   45   47   46                                       
CONECT   18   16   50   48   49                                       
CONECT   19   15   20   51   21                                       
CONECT   20   19   52   53   54                                       
CONECT   21   19   57   56   55                                       
CONECT   22   13   13                                                 
CONECT   23   11   26   26   24                                       
CONECT   24   23   25   25   58                                       
CONECT   25   24   24   30   59                                       
CONECT   26   23   23   27   60                                       
CONECT   27   26   28   30   30                                       
CONECT   28   27   29                                                 
CONECT   29   28   61   62   63                                       
CONECT   30   25   27   27   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   65   64   66                                       
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
