COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.663  -1.395  -4.169  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.156  -1.081  -3.052  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.720  -2.027  -2.154  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.516  -0.166  -3.699  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.707  -0.111  -3.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.773   0.610  -3.506  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.649   1.269  -4.715  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.460   1.209  -5.416  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.393   0.491  -4.909  1.00  0.00           C  
HETATM   10  N   UNL     1       0.735  -0.047  -2.116  1.00  0.00           N  
HETATM   11  C   UNL     1       1.832   0.719  -2.711  1.00  0.00           C  
HETATM   12  C   UNL     1       3.144   0.361  -2.010  1.00  0.00           C  
HETATM   13  F   UNL     1       4.191   1.092  -2.579  1.00  0.00           F  
HETATM   14  F   UNL     1       3.044   0.669  -0.649  1.00  0.00           F  
HETATM   15  F   UNL     1       3.395  -1.006  -2.161  1.00  0.00           F  
HETATM   16  C   UNL     1       0.441   0.094  -0.757  1.00  0.00           C  
HETATM   17  C   UNL     1       0.499  -1.007   0.085  1.00  0.00           C  
HETATM   18  C   UNL     1       0.213  -0.863   1.429  1.00  0.00           C  
HETATM   19  C   UNL     1       0.089   1.337  -0.247  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.201   1.473   1.095  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.141   0.374   1.932  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.459   0.527   3.397  1.00  0.00           C  
HETATM   23  C   UNL     1       0.753   0.102   4.229  1.00  0.00           C  
HETATM   24  F   UNL     1       0.504   0.361   5.581  1.00  0.00           F  
HETATM   25  F   UNL     1       0.984  -1.265   4.051  1.00  0.00           F  
HETATM   26  F   UNL     1       1.878   0.823   3.815  1.00  0.00           F  
HETATM   27  O   UNL     1      -0.773   1.892   3.677  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.656  -0.355   3.754  1.00  0.00           C  
HETATM   29  F   UNL     1      -1.348  -1.692   3.481  1.00  0.00           F  
HETATM   30  F   UNL     1      -1.951  -0.213   5.115  1.00  0.00           F  
HETATM   31  F   UNL     1      -2.765   0.032   2.994  1.00  0.00           F  
HETATM   32  H   UNL     1      -2.804  -0.626  -2.056  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.702   0.656  -2.958  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.483   1.830  -5.111  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.363   1.724  -6.361  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.464   0.445  -5.457  1.00  0.00           H  
HETATM   37  H   UNL     1       1.636   1.784  -2.594  1.00  0.00           H  
HETATM   38  H   UNL     1       1.909   0.478  -3.772  1.00  0.00           H  
HETATM   39  H   UNL     1       0.773  -1.975  -0.307  1.00  0.00           H  
HETATM   40  H   UNL     1       0.259  -1.719   2.085  1.00  0.00           H  
HETATM   41  H   UNL     1       0.042   2.196  -0.900  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.475   2.440   1.492  1.00  0.00           H  
HETATM   43  H   UNL     1       0.005   2.413   3.438  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   32                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    4    8    8   36                                       
CONECT   10    2   11   16                                            
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   14   15                                       
CONECT   13   12                                                      
CONECT   14   12                                                      
CONECT   15   12                                                      
CONECT   16   10   17   17   19                                       
CONECT   17   16   16   18   39                                       
CONECT   18   17   21   21   40                                       
CONECT   19   16   20   20   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   18   18   20   22                                       
CONECT   22   21   23   27   28                                       
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   22   43                                                 
CONECT   28   22   29   30   31                                       
CONECT   29   28                                                      
CONECT   30   28                                                      
CONECT   31   28                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   27                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
