COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.077  -0.047  -0.766  1.00  0.00           N  
HETATM    2  C   UNL     1       2.527   0.851   0.300  1.00  0.00           C  
HETATM    3  C   UNL     1       1.644   2.071   0.335  1.00  0.00           C  
HETATM    4  O   UNL     1       0.732   2.179  -0.450  1.00  0.00           O  
HETATM    5  C   UNL     1       3.973   1.276   0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       4.888   0.053   0.120  1.00  0.00           C  
HETATM    7  C   UNL     1       6.334   0.477  -0.147  1.00  0.00           C  
HETATM    8  O   UNL     1       1.870   3.038   1.238  1.00  0.00           O  
HETATM    9  S   UNL     1       1.443  -1.529  -0.387  1.00  0.00           S  
HETATM   10  O   UNL     1       1.129  -2.159  -1.622  1.00  0.00           O  
HETATM   11  O   UNL     1       2.312  -2.103   0.578  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.092  -1.246   0.431  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.259  -1.634   1.725  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.465  -1.418   2.388  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.511  -0.812   1.760  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.375  -0.398   0.427  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.147  -0.612  -0.247  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.008  -0.193  -1.582  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.047   0.419  -2.214  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.256   0.640  -1.561  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.437   0.234  -0.257  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.652   0.459   0.388  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.922   1.897   0.514  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.751  -0.225  -0.308  1.00  0.00           C  
HETATM   25  H   UNL     1       2.147   0.228  -1.694  1.00  0.00           H  
HETATM   26  H   UNL     1       2.472   0.334   1.258  1.00  0.00           H  
HETATM   27  H   UNL     1       4.045   1.713  -0.963  1.00  0.00           H  
HETATM   28  H   UNL     1       4.279   2.012   0.776  1.00  0.00           H  
HETATM   29  H   UNL     1       4.816  -0.384   1.116  1.00  0.00           H  
HETATM   30  H   UNL     1       4.583  -0.684  -0.623  1.00  0.00           H  
HETATM   31  H   UNL     1       6.406   0.914  -1.143  1.00  0.00           H  
HETATM   32  H   UNL     1       6.639   1.214   0.596  1.00  0.00           H  
HETATM   33  H   UNL     1       6.986  -0.394  -0.084  1.00  0.00           H  
HETATM   34  H   UNL     1       0.555  -2.117   2.245  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.572  -1.736   3.414  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.441  -0.652   2.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.077  -0.356  -2.105  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.931   0.738  -3.239  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.064   1.127  -2.086  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.558  -1.297  -0.325  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.687  -0.032   0.216  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.823   0.149  -1.329  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.964   2.347  -0.478  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.876   2.045   1.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.127   2.367   1.093  1.00  0.00           H  
HETATM   46  H   UNL     1       1.277   3.801   1.222  1.00  0.00           H  
CONECT    1    2    9   25                                            
CONECT    2    1    5    3   26                                       
CONECT    3    2    8    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   27   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    6   31   32   33                                       
CONECT    8    3   46                                                 
CONECT    9    1   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   17   17                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   21                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   21   21   39                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   24   23                                            
CONECT   23   22   43   44   45                                       
CONECT   24   22   40   41   42                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46    8                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
