COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.574  -0.492  -0.977  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.046  -0.884  -1.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.759  -0.677   0.216  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.586   0.781   0.653  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.093   1.109   0.732  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.913   2.581   1.109  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.661  -0.067  -2.123  1.00  0.00           O  
HETATM    8  O   UNL     1      -5.149  -0.971   0.069  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.215   1.642  -0.299  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.522   2.863   1.277  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.486   0.866  -0.539  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.778  -1.574   0.242  1.00  0.00           S  
HETATM   13  O   UNL     1      -1.302  -1.332   1.541  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.662  -2.896  -0.266  1.00  0.00           O  
HETATM   15  N   UNL     1       0.783  -1.028   0.323  1.00  0.00           N  
HETATM   16  C   UNL     1       1.259   0.094   1.152  1.00  0.00           C  
HETATM   17  C   UNL     1       2.545   0.591   0.446  1.00  0.00           C  
HETATM   18  O   UNL     1       2.227   1.447  -0.654  1.00  0.00           O  
HETATM   19  S   UNL     1       2.422   2.928  -0.361  1.00  0.00           S  
HETATM   20  O   UNL     1       1.913   3.630  -1.488  1.00  0.00           O  
HETATM   21  O   UNL     1       1.953   3.141   0.963  1.00  0.00           O  
HETATM   22  N   UNL     1       4.053   3.212  -0.332  1.00  0.00           N  
HETATM   23  C   UNL     1       3.164  -0.742  -0.049  1.00  0.00           C  
HETATM   24  C   UNL     1       1.925  -1.586  -0.416  1.00  0.00           C  
HETATM   25  C   UNL     1       2.142  -3.022  -0.014  1.00  0.00           C  
HETATM   26  O   UNL     1       1.420  -3.536   0.807  1.00  0.00           O  
HETATM   27  O   UNL     1       3.139  -3.731  -0.568  1.00  0.00           O  
HETATM   28  C   UNL     1       3.289  -5.108  -0.134  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.072  -0.596  -1.939  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.116  -1.932  -1.416  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.322  -1.336   0.966  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.043   0.924   1.632  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.622   0.480   1.487  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.319   3.211   0.318  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.440   2.784   2.042  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.597  -0.262  -2.269  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.662  -0.860   0.881  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.145   2.583  -0.084  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.334   3.781   1.517  1.00  0.00           H  
HETATM   40  H   UNL     1       0.512   0.887   1.182  1.00  0.00           H  
HETATM   41  H   UNL     1       3.208   1.093   1.150  1.00  0.00           H  
HETATM   42  H   UNL     1       4.399   4.080  -0.593  1.00  0.00           H  
HETATM   43  H   UNL     1       4.662   2.511  -0.054  1.00  0.00           H  
HETATM   44  H   UNL     1       3.792  -0.575  -0.924  1.00  0.00           H  
HETATM   45  H   UNL     1       3.731  -1.223   0.748  1.00  0.00           H  
HETATM   46  H   UNL     1       1.740  -1.523  -1.488  1.00  0.00           H  
HETATM   47  H   UNL     1       4.129  -5.565  -0.658  1.00  0.00           H  
HETATM   48  H   UNL     1       3.475  -5.132   0.940  1.00  0.00           H  
HETATM   49  H   UNL     1       2.377  -5.661  -0.357  1.00  0.00           H  
HETATM   50  H   UNL     1       1.489  -0.250   2.160  1.00  0.00           H  
CONECT    1    2   11   12   29                                       
CONECT    2    1    3    7   30                                       
CONECT    3    2    4    8   31                                       
CONECT    4    3    5    9   32                                       
CONECT    5    4    6   11   33                                       
CONECT    6    5   10   34   35                                       
CONECT    7    2   36                                                 
CONECT    8    3   37                                                 
CONECT    9    4   38                                                 
CONECT   10    6   39                                                 
CONECT   11    1    5                                                 
CONECT   12    1   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   24                                            
CONECT   16   15   17   40   50                                       
CONECT   17   16   18   23   41                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   42   43                                            
CONECT   23   17   24   44   45                                       
CONECT   24   15   23   25   46                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   47   48   49                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   16                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
