COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.814   2.968  -0.525  1.00  0.00           C  
HETATM    2  C   UNL     1       2.687   1.550  -0.031  1.00  0.00           C  
HETATM    3  C   UNL     1       1.887   0.650  -0.710  1.00  0.00           C  
HETATM    4  C   UNL     1       3.373   1.149   1.100  1.00  0.00           C  
HETATM    5  C   UNL     1       4.249   2.128   1.837  1.00  0.00           C  
HETATM    6  C   UNL     1       3.256  -0.152   1.554  1.00  0.00           C  
HETATM    7  C   UNL     1       2.453  -1.051   0.877  1.00  0.00           C  
HETATM    8  C   UNL     1       1.770  -0.650  -0.256  1.00  0.00           C  
HETATM    9  S   UNL     1       0.746  -1.796  -1.119  1.00  0.00           S  
HETATM   10  O   UNL     1       0.644  -1.317  -2.453  1.00  0.00           O  
HETATM   11  O   UNL     1       1.231  -3.091  -0.793  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.771  -1.686  -0.465  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.459  -0.479  -0.504  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.331   0.362  -1.602  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.014   1.560  -1.640  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.834   1.935  -0.585  1.00  0.00           C  
HETATM   17  F   UNL     1      -3.498   3.110  -0.634  1.00  0.00           F  
HETATM   18  C   UNL     1      -2.974   1.113   0.514  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.291  -0.106   0.563  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.441  -0.992   1.730  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.241  -0.631   2.753  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.842  -2.049   1.771  1.00  0.00           O  
HETATM   23  H   UNL     1       2.042   3.585  -0.065  1.00  0.00           H  
HETATM   24  H   UNL     1       3.797   3.358  -0.261  1.00  0.00           H  
HETATM   25  H   UNL     1       2.695   2.987  -1.609  1.00  0.00           H  
HETATM   26  H   UNL     1       1.354   0.963  -1.596  1.00  0.00           H  
HETATM   27  H   UNL     1       3.661   2.640   2.599  1.00  0.00           H  
HETATM   28  H   UNL     1       5.072   1.594   2.312  1.00  0.00           H  
HETATM   29  H   UNL     1       4.649   2.859   1.134  1.00  0.00           H  
HETATM   30  H   UNL     1       3.792  -0.466   2.437  1.00  0.00           H  
HETATM   31  H   UNL     1       2.362  -2.066   1.232  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.180  -2.464  -0.054  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.695   0.078  -2.428  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.910   2.211  -2.496  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.613   1.408   1.332  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.307  -1.245   3.497  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    4    4    3    1                                       
CONECT    3    8    8    2   26                                       
CONECT    4    6    5    2    2                                       
CONECT    5    4   27   28   29                                       
CONECT    6    7    7    4   30                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    3    3                                       
CONECT    9   11   11    8   10                                       
CONECT    9   10   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   32                                            
CONECT   13   14   12   19   19                                       
CONECT   14   15   15   13   33                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16   19   35                                       
CONECT   19   13   13   18   20                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   36                                                 
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   21                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
