COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -5.933   1.676  -0.569  1.00  0.00           S  
HETATM    2  O   UNL     1       1.429   1.062   2.117  1.00  0.00           O  
HETATM    3  O   UNL     1      -1.506  -3.543  -0.845  1.00  0.00           O  
HETATM    4  O   UNL     1      -7.269   1.244  -0.352  1.00  0.00           O  
HETATM    5  O   UNL     1      -5.625   3.022  -0.906  1.00  0.00           O  
HETATM    6  N   UNL     1      -5.138   1.387   0.862  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.159   0.414   0.652  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.301  -0.064   1.667  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.009   0.493  -1.610  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.023  -0.110  -0.620  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.070  -1.078  -0.888  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.227  -1.544   0.120  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.356  -1.019   1.410  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.213  -2.575  -0.169  1.00  0.00           C  
HETATM   15  N   UNL     1       0.038  -2.445   0.314  1.00  0.00           N  
HETATM   16  C   UNL     1       1.096  -3.414  -0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       2.184  -2.669  -0.794  1.00  0.00           C  
HETATM   18  C   UNL     1       0.406  -1.329   1.193  1.00  0.00           C  
HETATM   19  C   UNL     1       1.738  -0.767   0.769  1.00  0.00           C  
HETATM   20  C   UNL     1       2.153   0.474   1.328  1.00  0.00           C  
HETATM   21  N   UNL     1       3.338   0.996   0.987  1.00  0.00           N  
HETATM   22  C   UNL     1       4.123   0.368   0.137  1.00  0.00           C  
HETATM   23  N   UNL     1       3.751  -0.814  -0.417  1.00  0.00           N  
HETATM   24  C   UNL     1       2.543  -1.380  -0.105  1.00  0.00           C  
HETATM   25  C   UNL     1       5.429   0.961  -0.221  1.00  0.00           C  
HETATM   26  C   UNL     1       5.825   2.176   0.340  1.00  0.00           C  
HETATM   27  C   UNL     1       7.045   2.723   0.001  1.00  0.00           C  
HETATM   28  C   UNL     1       6.274   0.305  -1.117  1.00  0.00           C  
HETATM   29  C   UNL     1       7.492   0.863  -1.447  1.00  0.00           C  
HETATM   30  C   UNL     1       7.876   2.070  -0.892  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.325   1.825   1.708  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.392   0.334   2.667  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.673  -0.272  -2.011  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.483   1.011  -2.413  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.978  -1.476  -1.888  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.711  -1.368   2.202  1.00  0.00           H  
HETATM   37  H   UNL     1       1.514  -3.836   0.892  1.00  0.00           H  
HETATM   38  H   UNL     1       0.683  -4.211  -0.640  1.00  0.00           H  
HETATM   39  H   UNL     1       3.072  -3.299  -0.860  1.00  0.00           H  
HETATM   40  H   UNL     1       1.825  -2.450  -1.799  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.354  -0.550   1.127  1.00  0.00           H  
HETATM   42  H   UNL     1       0.474  -1.683   2.221  1.00  0.00           H  
HETATM   43  H   UNL     1       4.348  -1.260  -1.038  1.00  0.00           H  
HETATM   44  H   UNL     1       5.177   2.687   1.036  1.00  0.00           H  
HETATM   45  H   UNL     1       7.352   3.664   0.434  1.00  0.00           H  
HETATM   46  H   UNL     1       5.976  -0.638  -1.552  1.00  0.00           H  
HETATM   47  H   UNL     1       8.147   0.356  -2.140  1.00  0.00           H  
HETATM   48  H   UNL     1       8.830   2.503  -1.153  1.00  0.00           H  
CONECT    1    9    5    5    4                                       
CONECT    1    4    6                                                 
CONECT    2   20   20                                                 
CONECT    3   14   14                                                 
CONECT    4    1    1                                                 
CONECT    5    1    1                                                 
CONECT    6    1    7   31                                            
CONECT    7   10    6    8    8                                       
CONECT    8    7    7   13   32                                       
CONECT    9   10    1   33   34                                       
CONECT   10    9   11   11    7                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   14   13   13                                       
CONECT   13   12   12    8   36                                       
CONECT   14   15    3    3   12                                       
CONECT   15   18   16   14                                            
CONECT   16   17   15   37   38                                       
CONECT   17   24   16   39   40                                       
CONECT   18   19   15   41   42                                       
CONECT   19   20   24   24   18                                       
CONECT   20   21    2    2   19                                       
CONECT   21   22   22   20                                            
CONECT   22   25   21   21   23                                       
CONECT   23   22   24   43                                            
CONECT   24   23   19   19   17                                       
CONECT   25   28   28   26   22                                       
CONECT   26   27   27   25   44                                       
CONECT   27   30   26   26   45                                       
CONECT   28   29   25   25   46                                       
CONECT   29   30   30   28   47                                       
CONECT   30   29   29   27   48                                       
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
