COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.755   0.044   0.699  1.00  0.00           C  
HETATM    2  O   UNL     1       4.378   2.479   0.504  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.490  -1.089   1.010  1.00  0.00           C  
HETATM    4  C   UNL     1       0.139   0.018   0.962  1.00  0.00           C  
HETATM    5  C   UNL     1       1.433   0.249   1.390  1.00  0.00           C  
HETATM    6  C   UNL     1       5.547   0.109  -0.703  1.00  0.00           C  
HETATM    7  C   UNL     1       6.337  -0.917  -1.194  1.00  0.00           C  
HETATM    8  O   UNL     1       6.934  -0.796  -2.410  1.00  0.00           O  
HETATM    9  C   UNL     1       5.122  -1.162   1.283  1.00  0.00           C  
HETATM   10  C   UNL     1       6.519  -2.073  -0.439  1.00  0.00           C  
HETATM   11  C   UNL     1       5.909  -2.191   0.799  1.00  0.00           C  
HETATM   12  C   UNL     1       2.294   1.001   0.613  1.00  0.00           C  
HETATM   13  C   UNL     1       4.942  -0.015   0.534  1.00  0.00           C  
HETATM   14  C   UNL     1       1.862   1.522  -0.592  1.00  0.00           C  
HETATM   15  C   UNL     1       0.568   1.291  -1.020  1.00  0.00           C  
HETATM   16  O   UNL     1       7.293  -3.083  -0.917  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.294   0.540  -0.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.013  -0.989  -1.331  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.701   2.610  -0.161  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.749  -2.121  -1.031  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.021   0.093  -0.471  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.703   0.283  -0.713  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.927   1.532  -2.279  1.00  0.00           O  
HETATM   24  S   UNL     1      -4.094   1.538  -0.868  1.00  0.00           S  
HETATM   25  O   UNL     1      -7.213  -1.138   2.161  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.487  -2.176   0.141  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.210  -3.289   0.438  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.583   1.344  -0.218  1.00  0.00           N  
HETATM   29  S   UNL     1       3.943   1.295   1.160  1.00  0.00           S  
HETATM   30  O   UNL     1       3.930   1.150   2.573  1.00  0.00           O  
HETATM   31  H   UNL     1      -5.760   0.891   1.370  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.533  -0.573   1.567  1.00  0.00           H  
HETATM   33  H   UNL     1       1.771  -0.159   2.331  1.00  0.00           H  
HETATM   34  H   UNL     1       5.408   1.009  -1.285  1.00  0.00           H  
HETATM   35  H   UNL     1       7.815  -0.400  -2.378  1.00  0.00           H  
HETATM   36  H   UNL     1       4.648  -1.255   2.249  1.00  0.00           H  
HETATM   37  H   UNL     1       6.049  -3.086   1.386  1.00  0.00           H  
HETATM   38  H   UNL     1       2.534   2.110  -1.198  1.00  0.00           H  
HETATM   39  H   UNL     1       0.230   1.699  -1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       8.226  -3.014  -0.672  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.439  -0.947  -2.245  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.741  -2.965  -1.704  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.726   0.271  -1.802  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.043  -0.679  -0.331  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.120  -0.816   2.069  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.722  -3.951   0.947  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.281   1.934   0.491  1.00  0.00           H  
CONECT    1   21    3    3   31                                       
CONECT    2   29   29                                                 
CONECT    3    1    1   26   25                                       
CONECT    4    5    5   17   32                                       
CONECT    5   12    4    4   33                                       
CONECT    6    7    7   13   34                                       
CONECT    7   10    8    6    6                                       
CONECT    8    7   35                                                 
CONECT    9   13   13   11   36                                       
CONECT   10   11   11   16    7                                       
CONECT   11    9   10   10   37                                       
CONECT   12   14   14   29    5                                       
CONECT   13   29    9    9    6                                       
CONECT   14   15   12   12   38                                       
CONECT   15   17   17   14   39                                       
CONECT   16   10   40                                                 
CONECT   17   22   15   15    4                                       
CONECT   18   20   21   21   41                                       
CONECT   19   24   24                                                 
CONECT   20   26   26   18   42                                       
CONECT   21   18   18   24    1                                       
CONECT   22   28   17   43   44                                       
CONECT   23   24   24                                                 
CONECT   24   21   19   19   28                                       
CONECT   24   23   23                                                 
CONECT   25    3   45                                                 
CONECT   26   27   20   20    3                                       
CONECT   27   26   46                                                 
CONECT   28   24   22   47                                            
CONECT   29   12   13    2    2                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
