COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.632   0.105   0.517  1.00  0.00           C  
HETATM    2  C   UNL     1       3.383  -1.056   0.383  1.00  0.00           C  
HETATM    3  C   UNL     1       4.040   1.935  -1.788  1.00  0.00           C  
HETATM    4  N   UNL     1       3.261   1.329   0.773  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.799  -1.335  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.573  -0.264   0.114  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.067  -0.395  -0.029  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.745   0.063   1.264  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.263  -0.070   1.119  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.742   0.801  -0.044  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.064   0.344  -1.337  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.546   0.476  -1.192  1.00  0.00           C  
HETATM   13  N   UNL     1       2.804  -2.217   0.140  1.00  0.00           N  
HETATM   14  C   UNL     1       1.843  -4.652  -0.347  1.00  0.00           C  
HETATM   15  O   UNL     1       0.945  -3.546  -0.234  1.00  0.00           O  
HETATM   16  C   UNL     1       1.494  -2.330   0.015  1.00  0.00           C  
HETATM   17  C   UNL     1       0.666  -1.206   0.137  1.00  0.00           C  
HETATM   18  C   UNL     1       1.249   0.038   0.388  1.00  0.00           C  
HETATM   19  F   UNL     1      -5.413   2.137   0.207  1.00  0.00           F  
HETATM   20  F   UNL     1      -7.129   0.680  -0.177  1.00  0.00           F  
HETATM   21  O   UNL     1       5.477   0.633   0.044  1.00  0.00           O  
HETATM   22  O   UNL     1       4.982   3.021   0.459  1.00  0.00           O  
HETATM   23  S   UNL     1       4.616   1.757  -0.078  1.00  0.00           S  
HETATM   24  H   UNL     1       4.457  -1.007   0.478  1.00  0.00           H  
HETATM   25  H   UNL     1       3.626   0.987  -2.132  1.00  0.00           H  
HETATM   26  H   UNL     1       3.270   2.705  -1.834  1.00  0.00           H  
HETATM   27  H   UNL     1       4.876   2.219  -2.426  1.00  0.00           H  
HETATM   28  H   UNL     1       2.903   1.926   1.448  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.240  -2.300  -0.202  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.132   0.702   0.313  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.324  -1.436  -0.225  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.404  -0.558   2.093  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.489   1.104   1.460  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.519  -1.111   0.923  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.746   0.256   2.040  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.320  -0.697  -1.533  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.405   0.964  -2.166  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.290   1.518  -0.996  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.063   0.150  -2.113  1.00  0.00           H  
HETATM   40  H   UNL     1       2.540  -4.472  -1.165  1.00  0.00           H  
HETATM   41  H   UNL     1       2.398  -4.766   0.584  1.00  0.00           H  
HETATM   42  H   UNL     1       1.276  -5.562  -0.545  1.00  0.00           H  
HETATM   43  H   UNL     1       0.641   0.926   0.484  1.00  0.00           H  
CONECT    1   18   18    2    4                                       
CONECT    2   13   13    1   24                                       
CONECT    3   23   25   26   27                                       
CONECT    4   23    1   28                                            
CONECT    5    6    6   17   29                                       
CONECT    6    7    5    5   30                                       
CONECT    7    8   12    6   31                                       
CONECT    8    9    7   32   33                                       
CONECT    9   10    8   34   35                                       
CONECT   10   20   19    9   11                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11    7   38   39                                       
CONECT   13   16    2    2                                            
CONECT   14   15   40   41   42                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   13                                       
CONECT   17    5   16   16   18                                       
CONECT   18   17    1    1   43                                       
CONECT   19   10                                                      
CONECT   20   10                                                      
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23    3   21   21    4                                       
CONECT   23   22   22                                                 
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
