COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.473  -1.800   0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       1.280  -0.701  -0.235  1.00  0.00           C  
HETATM    3  C   UNL     1       2.639  -0.870  -0.419  1.00  0.00           C  
HETATM    4  C   UNL     1       3.198  -2.132  -0.347  1.00  0.00           C  
HETATM    5  C   UNL     1       2.401  -3.232  -0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       1.037  -3.072   0.095  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.997   0.566   0.053  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.697   0.717  -0.485  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.948  -0.320  -0.015  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.978  -0.572   0.843  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.145   1.449  -0.177  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.532  -0.563  -0.317  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.145  -1.127   1.619  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.327   2.683   0.668  1.00  0.00           C  
HETATM   15  C   UNL     1       6.577   1.545   0.933  1.00  0.00           C  
HETATM   16  C   UNL     1       3.939   3.513   1.086  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.229   1.816  -1.404  1.00  0.00           C  
HETATM   18  C   UNL     1       5.426   0.607   1.302  1.00  0.00           C  
HETATM   19  C   UNL     1       3.394   2.123   1.420  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.746  -1.101   0.793  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.904  -1.630   0.215  1.00  0.00           N  
HETATM   22  N   UNL     1       4.181   1.108   0.715  1.00  0.00           N  
HETATM   23  O   UNL     1      -6.948   1.186  -1.048  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.926   0.199  -1.046  1.00  0.00           O  
HETATM   25  O   UNL     1       4.815   0.032  -1.414  1.00  0.00           O  
HETATM   26  O   UNL     1       2.814   1.525  -1.297  1.00  0.00           O  
HETATM   27  O   UNL     1       0.252  -4.152   0.347  1.00  0.00           O  
HETATM   28  S   UNL     1       3.662   0.527  -0.747  1.00  0.00           S  
HETATM   29  H   UNL     1       0.846   0.286  -0.292  1.00  0.00           H  
HETATM   30  H   UNL     1       4.261  -2.260  -0.492  1.00  0.00           H  
HETATM   31  H   UNL     1       2.840  -4.217  -0.037  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.204  -0.633   2.589  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.067  -0.951   1.065  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.008  -2.199   1.765  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.745   3.502   0.246  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.382   2.958   0.686  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.987   2.481   1.684  1.00  0.00           H  
HETATM   38  H   UNL     1       6.370   2.544   1.317  1.00  0.00           H  
HETATM   39  H   UNL     1       7.503   1.173   1.370  1.00  0.00           H  
HETATM   40  H   UNL     1       6.678   1.587  -0.152  1.00  0.00           H  
HETATM   41  H   UNL     1       4.981   3.580   1.398  1.00  0.00           H  
HETATM   42  H   UNL     1       3.869   3.682   0.012  1.00  0.00           H  
HETATM   43  H   UNL     1       3.353   4.268   1.611  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.845   2.647  -0.811  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.439   1.437  -2.052  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.064   2.161  -2.013  1.00  0.00           H  
HETATM   47  H   UNL     1       5.633  -0.391   0.918  1.00  0.00           H  
HETATM   48  H   UNL     1       5.325   0.565   2.387  1.00  0.00           H  
HETATM   49  H   UNL     1       3.463   1.954   2.495  1.00  0.00           H  
HETATM   50  H   UNL     1       2.352   2.057   1.108  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.461  -1.903   1.257  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.405  -2.281   0.730  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.107  -4.572  -0.447  1.00  0.00           H  
CONECT    1    2   21    6    6                                       
CONECT    2    3    3    1   29                                       
CONECT    3   28    2    2    4                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   27                                       
CONECT    7   10   10   11    8                                       
CONECT    8    7    9    9   17                                       
CONECT    9   20   12    8    8                                       
CONECT   10   13   20    7    7                                       
CONECT   11   23   23    7   14                                       
CONECT   12   24   24    9   21                                       
CONECT   13   10   32   33   34                                       
CONECT   14   11   35   36   37                                       
CONECT   15   18   38   39   40                                       
CONECT   16   19   41   42   43                                       
CONECT   17    8   44   45   46                                       
CONECT   18   15   22   47   48                                       
CONECT   19   22   16   49   50                                       
CONECT   20   10    9   51                                            
CONECT   21   12    1   52                                            
CONECT   22   18   28   19                                            
CONECT   23   11   11                                                 
CONECT   24   12   12                                                 
CONECT   25   28   28                                                 
CONECT   26   28   28                                                 
CONECT   27    6   53                                                 
CONECT   28   25   25   22   26                                       
CONECT   28   26    3                                                 
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
