COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.567   2.977  -1.296  1.00  0.00           O  
HETATM    2  C   UNL     1       2.327   3.533  -0.539  1.00  0.00           C  
HETATM    3  O   UNL     1       2.301   4.870  -0.425  1.00  0.00           O  
HETATM    4  C   UNL     1       3.300   2.726   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1       3.122   1.261  -0.028  1.00  0.00           C  
HETATM    6  C   UNL     1       3.967   0.258   0.654  1.00  0.00           C  
HETATM    7  C   UNL     1       3.752  -1.153   0.318  1.00  0.00           C  
HETATM    8  C   UNL     1       4.582  -1.988   1.004  1.00  0.00           C  
HETATM    9  S   UNL     1       5.619  -1.130   2.044  1.00  0.00           S  
HETATM   10  C   UNL     1       4.946   0.418   1.573  1.00  0.00           C  
HETATM   11  C   UNL     1       2.703  -1.455  -0.680  1.00  0.00           C  
HETATM   12  O   UNL     1       2.473  -2.606  -1.004  1.00  0.00           O  
HETATM   13  N   UNL     1       2.227   0.888  -0.883  1.00  0.00           N  
HETATM   14  N   UNL     1       2.006  -0.443  -1.226  1.00  0.00           N  
HETATM   15  C   UNL     1       0.964  -0.754  -2.208  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.347  -0.972  -1.498  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.196  -0.046  -1.255  1.00  0.00           N  
HETATM   18  S   UNL     1      -0.888  -2.485  -0.924  1.00  0.00           S  
HETATM   19  C   UNL     1      -2.369  -1.753  -0.315  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.329  -0.385  -0.611  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.419   0.419  -0.222  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.467  -2.295   0.350  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.515  -1.484   0.723  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.482  -0.128   0.430  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.637   0.750   0.838  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.229   0.234   1.996  1.00  0.00           F  
HETATM   27  F   UNL     1      -5.173   2.045   1.090  1.00  0.00           F  
HETATM   28  F   UNL     1      -6.583   0.786  -0.192  1.00  0.00           F  
HETATM   29  H   UNL     1       1.657   5.345  -0.968  1.00  0.00           H  
HETATM   30  H   UNL     1       4.319   3.027   0.036  1.00  0.00           H  
HETATM   31  H   UNL     1       3.115   2.899   1.340  1.00  0.00           H  
HETATM   32  H   UNL     1       4.582  -3.063   0.899  1.00  0.00           H  
HETATM   33  H   UNL     1       5.269   1.371   1.965  1.00  0.00           H  
HETATM   34  H   UNL     1       0.865   0.076  -2.908  1.00  0.00           H  
HETATM   35  H   UNL     1       1.237  -1.658  -2.753  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.410   1.477  -0.442  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.495  -3.351   0.573  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.366  -1.904   1.238  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   29                                                 
CONECT    4    5    2   30   31                                       
CONECT    5   13   13    4    6                                       
CONECT    6    5    7   10   10                                       
CONECT    7   11    6    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9   10    8                                                 
CONECT   10    6    6    9   33                                       
CONECT   11   14   12   12    7                                       
CONECT   12   11   11                                                 
CONECT   13   14    5    5                                            
CONECT   14   15   13   11                                            
CONECT   15   16   14   34   35                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16   20                                            
CONECT   18   16   19                                                 
CONECT   19   20   18   22   22                                       
CONECT   20   17   21   21   19                                       
CONECT   21   20   20   24   36                                       
CONECT   22   19   19   23   37                                       
CONECT   23   24   24   22   38                                       
CONECT   24   21   25   23   23                                       
CONECT   25   26   28   27   24                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
