COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.427  -1.579   0.086  1.00  0.00           C  
HETATM    2  C   UNL     1       1.967   1.667   1.516  1.00  0.00           C  
HETATM    3  C   UNL     1       0.839  -1.416   1.673  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.394  -1.647   2.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.526  -1.729   1.464  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.612   0.853  -0.308  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.832   1.567  -1.471  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.562   2.923  -1.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.072   3.564  -0.388  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.853   2.850   0.775  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.128   1.496   0.817  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.189  -1.352  -0.499  1.00  0.00           C  
HETATM   13  C   UNL     1       0.945  -1.271   0.296  1.00  0.00           C  
HETATM   14  C   UNL     1       3.869  -1.183  -1.716  1.00  0.00           C  
HETATM   15  C   UNL     1       4.222  -0.285  -0.683  1.00  0.00           C  
HETATM   16  C   UNL     1       5.494   0.448  -0.558  1.00  0.00           C  
HETATM   17  C   UNL     1       3.151  -0.223   0.188  1.00  0.00           C  
HETATM   18  C   UNL     1       3.068   0.607   1.443  1.00  0.00           C  
HETATM   19  C   UNL     1       3.426   2.091   1.334  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.572  -1.663  -0.710  1.00  0.00           N  
HETATM   21  N   UNL     1       2.197  -1.041  -0.291  1.00  0.00           N  
HETATM   22  N   UNL     1       2.666  -1.625  -1.473  1.00  0.00           N  
HETATM   23  O   UNL     1      -4.173  -1.199   1.110  1.00  0.00           O  
HETATM   24  O   UNL     1       6.407   0.386  -1.547  1.00  0.00           O  
HETATM   25  O   UNL     1       5.719   1.109   0.437  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.913  -1.123  -1.276  1.00  0.00           O  
HETATM   27  S   UNL     1      -3.955  -0.874  -0.256  1.00  0.00           S  
HETATM   28  H   UNL     1       1.304   1.764   0.657  1.00  0.00           H  
HETATM   29  H   UNL     1       1.508   1.849   2.488  1.00  0.00           H  
HETATM   30  H   UNL     1       1.722  -1.352   2.292  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.473  -1.764   3.323  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.489  -1.909   1.919  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.214   1.066  -2.348  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.733   3.480  -2.420  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.857   4.622  -0.421  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.471   3.351   1.652  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.957   0.938   1.726  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.109  -1.240  -1.570  1.00  0.00           H  
HETATM   39  H   UNL     1       4.485  -1.452  -2.561  1.00  0.00           H  
HETATM   40  H   UNL     1       3.333   0.091   2.366  1.00  0.00           H  
HETATM   41  H   UNL     1       3.722   2.467   0.354  1.00  0.00           H  
HETATM   42  H   UNL     1       3.927   2.552   2.185  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.556  -2.182  -1.529  1.00  0.00           H  
HETATM   44  H   UNL     1       7.226   0.884  -1.420  1.00  0.00           H  
CONECT    1   12   20    5    5                                       
CONECT    2   19   18   28   29                                       
CONECT    3   13    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    1    1    4   32                                       
CONECT    6   11   11    7   27                                       
CONECT    7    8    8    6   33                                       
CONECT    8    9    7    7   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10    9    9   11   36                                       
CONECT   11   10    6    6   37                                       
CONECT   12   13   13    1   38                                       
CONECT   13   21   12   12    3                                       
CONECT   14   15   22   22   39                                       
CONECT   15   16   14   17   17                                       
CONECT   16   25   25   24   15                                       
CONECT   17   15   15   18   21                                       
CONECT   18   19   17    2   40                                       
CONECT   19   18    2   41   42                                       
CONECT   20    1   27   43                                            
CONECT   21   17   22   13                                            
CONECT   22   14   14   21                                            
CONECT   23   27   27                                                 
CONECT   24   16   44                                                 
CONECT   25   16   16                                                 
CONECT   26   27   27                                                 
CONECT   27    6   20   23   23                                       
CONECT   27   26   26                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
