COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -7.735  -0.575  -1.731  1.00  0.00           O  
HETATM    2  S   UNL     1      -7.998  -0.872  -0.366  1.00  0.00           S  
HETATM    3  O   UNL     1      -9.282  -0.647   0.198  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.401  -2.534   0.050  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.999   0.148   0.473  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.572   0.210   0.145  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.957   1.459   0.779  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.573   2.709   0.146  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.468   1.460   0.545  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.974   1.467  -0.747  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.611   1.467  -0.967  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.733   1.461   0.116  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.237   1.455   1.415  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.602   1.460   1.623  1.00  0.00           C  
HETATM   15  C   UNL     1       0.733   1.461  -0.115  1.00  0.00           C  
HETATM   16  C   UNL     1       1.610   1.454   0.968  1.00  0.00           C  
HETATM   17  C   UNL     1       2.973   1.454   0.748  1.00  0.00           C  
HETATM   18  C   UNL     1       1.237   1.460  -1.414  1.00  0.00           C  
HETATM   19  C   UNL     1       2.601   1.459  -1.622  1.00  0.00           C  
HETATM   20  C   UNL     1       3.468   1.459  -0.544  1.00  0.00           C  
HETATM   21  C   UNL     1       4.956   1.460  -0.777  1.00  0.00           C  
HETATM   22  C   UNL     1       5.572   2.709  -0.144  1.00  0.00           C  
HETATM   23  C   UNL     1       5.572   0.210  -0.144  1.00  0.00           C  
HETATM   24  N   UNL     1       6.998   0.149  -0.473  1.00  0.00           N  
HETATM   25  S   UNL     1       7.998  -0.871   0.366  1.00  0.00           S  
HETATM   26  O   UNL     1       9.283  -0.645  -0.199  1.00  0.00           O  
HETATM   27  O   UNL     1       7.735  -0.575   1.730  1.00  0.00           O  
HETATM   28  C   UNL     1       7.403  -2.533  -0.051  1.00  0.00           C  
HETATM   29  C   UNL     1       7.505  -2.747  -1.563  1.00  0.00           C  
HETATM   30  C   UNL     1       8.256  -3.577   0.671  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.504  -2.749   1.561  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.255  -3.578  -0.674  1.00  0.00           C  
HETATM   33  H   UNL     1      -6.362  -2.635  -0.262  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.358   0.704   1.182  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.071  -0.678   0.531  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.450   0.254  -0.938  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.157   1.459   1.850  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.374   2.709  -0.926  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.650   2.708   0.315  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.135   3.599   0.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.655   1.471  -1.585  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.226   1.471  -1.976  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.561   1.450   2.257  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.993   1.459   2.629  1.00  0.00           H  
HETATM   45  H   UNL     1       1.225   1.451   1.977  1.00  0.00           H  
HETATM   46  H   UNL     1       3.654   1.449   1.586  1.00  0.00           H  
HETATM   47  H   UNL     1       0.561   1.460  -2.256  1.00  0.00           H  
HETATM   48  H   UNL     1       2.993   1.459  -2.628  1.00  0.00           H  
HETATM   49  H   UNL     1       5.156   1.460  -1.849  1.00  0.00           H  
HETATM   50  H   UNL     1       5.133   3.599  -0.595  1.00  0.00           H  
HETATM   51  H   UNL     1       5.372   2.708   0.928  1.00  0.00           H  
HETATM   52  H   UNL     1       6.649   2.709  -0.313  1.00  0.00           H  
HETATM   53  H   UNL     1       5.450   0.254   0.938  1.00  0.00           H  
HETATM   54  H   UNL     1       5.072  -0.677  -0.531  1.00  0.00           H  
HETATM   55  H   UNL     1       7.357   0.705  -1.182  1.00  0.00           H  
HETATM   56  H   UNL     1       6.363  -2.635   0.260  1.00  0.00           H  
HETATM   57  H   UNL     1       7.148  -3.746  -1.814  1.00  0.00           H  
HETATM   58  H   UNL     1       6.897  -2.003  -2.078  1.00  0.00           H  
HETATM   59  H   UNL     1       8.545  -2.645  -1.874  1.00  0.00           H  
HETATM   60  H   UNL     1       8.183  -3.424   1.748  1.00  0.00           H  
HETATM   61  H   UNL     1       7.898  -4.576   0.420  1.00  0.00           H  
HETATM   62  H   UNL     1       9.296  -3.475   0.360  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.544  -2.648   1.872  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.146  -3.748   1.811  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.896  -2.006   2.076  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.181  -3.424  -1.750  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.896  -4.576  -0.424  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.294  -3.476  -0.362  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   31   32   33                                       
CONECT    5    6    2   34                                            
CONECT    6    7    5   35   36                                       
CONECT    7    8    9    6   37                                       
CONECT    8    7   38   39   40                                       
CONECT    9   10    7   14   14                                       
CONECT   10   11   11    9   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11   15   13   13                                       
CONECT   13   12   12   14   43                                       
CONECT   14    9    9   13   44                                       
CONECT   15   18   12   16   16                                       
CONECT   16   15   15   17   45                                       
CONECT   17   20   20   16   46                                       
CONECT   18   19   19   15   47                                       
CONECT   19   18   18   20   48                                       
CONECT   20   19   21   17   17                                       
CONECT   21   22   20   23   49                                       
CONECT   22   21   50   51   52                                       
CONECT   23   21   24   53   54                                       
CONECT   24   23   25   55                                            
CONECT   25   24   26   26   28                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   30   56                                       
CONECT   29   28   57   58   59                                       
CONECT   30   28   60   61   62                                       
CONECT   31    4   63   64   65                                       
CONECT   32    4   66   67   68                                       
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
