COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.429   0.728   0.386  1.00  0.00           O  
HETATM    2  C   UNL     1       4.314  -0.020   0.199  1.00  0.00           C  
HETATM    3  N   UNL     1       4.408  -1.329   0.083  1.00  0.00           N  
HETATM    4  C   UNL     1       3.351  -2.109  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       2.090  -1.606  -0.182  1.00  0.00           C  
HETATM    6  C   UNL     1       1.905  -0.214  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1       0.638   0.380  -0.141  1.00  0.00           C  
HETATM    8  C   UNL     1       0.524   1.733  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1       1.647   2.533   0.169  1.00  0.00           C  
HETATM   10  C   UNL     1       2.893   1.988   0.250  1.00  0.00           C  
HETATM   11  C   UNL     1       3.049   0.600   0.133  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.795  -0.614  -0.392  1.00  0.00           S  
HETATM   13  O   UNL     1      -0.759  -1.607   0.624  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.850  -0.868  -1.789  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.116   0.327  -0.054  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.836   1.073  -1.150  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.175   0.475  -1.216  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.960   0.538   0.085  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.721  -0.745   0.701  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.691  -0.541   1.753  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.610   0.451   1.291  1.00  0.00           C  
HETATM   22  H   UNL     1       5.754   0.970  -0.492  1.00  0.00           H  
HETATM   23  H   UNL     1       3.496  -3.176  -0.188  1.00  0.00           H  
HETATM   24  H   UNL     1       1.245  -2.261  -0.333  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.452   2.192  -0.090  1.00  0.00           H  
HETATM   26  H   UNL     1       1.528   3.603   0.259  1.00  0.00           H  
HETATM   27  H   UNL     1       3.755   2.621   0.404  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.908   2.132  -0.901  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.317   0.942  -2.100  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.745   0.990  -1.989  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.072  -0.570  -1.507  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.586   1.342   0.719  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.023   0.673  -0.116  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.573  -1.002   1.176  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.171  -0.155   2.652  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.222  -1.497   1.983  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.760   0.357   1.966  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.011   1.458   1.403  1.00  0.00           H  
CONECT    1    2   22                                                 
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   25                                       
CONECT    9    8   10   10   26                                       
CONECT   10    9    9   11   27                                       
CONECT   11    2    2    6   10                                       
CONECT   12    7   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   21                                            
CONECT   16   15   17   28   29                                       
CONECT   17   16   18   30   31                                       
CONECT   18   17   19   32   33                                       
CONECT   19   18   20   34                                            
CONECT   20   19   21   35   36                                       
CONECT   21   15   20   37   38                                       
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   16                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
