COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.639   0.436   0.760  1.00  0.00           C  
HETATM    2  CA  UNL     1      -6.133  -0.248  -0.484  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.011  -1.462  -0.792  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.732   0.171  -0.484  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.311  -0.280  -0.266  1.00  0.00           C  
HETATM    6  C   UNL     1       0.946   1.461  -0.633  1.00  0.00           C  
HETATM    7  C   UNL     1       4.319  -0.135  -1.207  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.896   0.920   0.798  1.00  0.00           N  
HETATM    9  O   UNL     1      -5.917   0.547   1.728  1.00  0.00           O  
HETATM   10  O   UNL     1      -7.057  -2.319   0.351  1.00  0.00           O  
HETATM   11  N   UNL     1      -4.751  -0.686  -0.272  1.00  0.00           N  
HETATM   12  O   UNL     1      -3.959   1.304  -0.851  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.394   0.829  -0.563  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.002   0.427  -0.361  1.00  0.00           O  
HETATM   15  C   UNL     1       2.340   0.939  -0.394  1.00  0.00           C  
HETATM   16  C   UNL     1       2.917   1.056   0.857  1.00  0.00           C  
HETATM   17  C   UNL     1       4.193   0.573   1.077  1.00  0.00           C  
HETATM   18  C   UNL     1       4.897  -0.017   0.044  1.00  0.00           C  
HETATM   19  S   UNL     1       6.528  -0.621   0.321  1.00  0.00           S  
HETATM   20  N   UNL     1       7.573   0.621  -0.007  1.00  0.00           N  
HETATM   21  O   UNL     1       6.631  -0.874   1.716  1.00  0.00           O  
HETATM   22  O   UNL     1       6.762  -1.614  -0.668  1.00  0.00           O  
HETATM   23  C   UNL     1       3.041   0.344  -1.426  1.00  0.00           C  
HETATM   24  HA  UNL     1      -6.168   0.449  -1.322  1.00  0.00           H  
HETATM   25  H1  UNL     1      -8.019  -1.128  -1.037  1.00  0.00           H  
HETATM   26  H2  UNL     1      -6.593  -2.007  -1.638  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.183  -0.589   0.771  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.091  -1.119  -0.926  1.00  0.00           H  
HETATM   29  H   UNL     1       0.850   1.779  -1.671  1.00  0.00           H  
HETATM   30  H   UNL     1       0.758   2.309   0.026  1.00  0.00           H  
HETATM   31  H   UNL     1       4.869  -0.596  -2.014  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.224   1.357   1.600  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.474   0.832   0.024  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.598  -3.111   0.227  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.569  -1.592   0.021  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.620   1.642  -0.009  1.00  0.00           H  
HETATM   37  H   UNL     1       2.369   1.521   1.663  1.00  0.00           H  
HETATM   38  H   UNL     1       4.644   0.664   2.054  1.00  0.00           H  
HETATM   39  H   UNL     1       8.420   0.679   0.463  1.00  0.00           H  
HETATM   40  H   UNL     1       7.338   1.291  -0.668  1.00  0.00           H  
HETATM   41  H   UNL     1       2.590   0.252  -2.403  1.00  0.00           H  
CONECT    1    8    9    9    2                                       
CONECT    2    3    1   11   24                                       
CONECT    3   10    2   25   26                                       
CONECT    4   11    5   12   12                                       
CONECT    5   13    4   27   28                                       
CONECT    6   15   14   29   30                                       
CONECT    7   23   18   18   31                                       
CONECT    8    1   32   33                                            
CONECT    9    1    1                                                 
CONECT   10    3   34                                                 
CONECT   11    2    4   35                                            
CONECT   12    4    4                                                 
CONECT   13   14    5   36                                            
CONECT   14    6   13                                                 
CONECT   15    6   23   23   16                                       
CONECT   16   15   17   17   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18    7    7   17   19                                       
CONECT   19   18   20   22   22                                       
CONECT   19   21   21                                                 
CONECT   20   19   39   40                                            
CONECT   21   19   19                                                 
CONECT   22   19   19                                                 
CONECT   23   15   15    7   41                                       
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
