COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.974   0.076  -0.618  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.259  -0.154   0.060  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.840  -2.082  -0.010  1.00  0.00           C  
HETATM    4  C   UNL     1       4.288   0.355   0.250  1.00  0.00           C  
HETATM    5  C   UNL     1       4.286  -1.027   0.197  1.00  0.00           C  
HETATM    6  C   UNL     1       3.127  -1.705  -0.145  1.00  0.00           C  
HETATM    7  C   UNL     1       1.966  -0.992  -0.435  1.00  0.00           C  
HETATM    8  C   UNL     1       1.976   0.394  -0.380  1.00  0.00           C  
HETATM    9  C   UNL     1       3.136   1.063  -0.038  1.00  0.00           C  
HETATM   10  O   UNL     1       3.124  -3.064  -0.198  1.00  0.00           O  
HETATM   11  N   UNL     1       0.791  -1.673  -0.782  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.409  -1.163  -0.442  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.534  -1.861  -0.693  1.00  0.00           N  
HETATM   14  O   UNL     1      -0.477  -0.072   0.091  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.785  -1.288  -0.440  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.210   0.639  -0.368  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.074  -1.513   0.239  1.00  0.00           C  
HETATM   18  S   UNL     1       3.145   2.824   0.037  1.00  0.00           S  
HETATM   19  O   UNL     1       1.798   3.223   0.247  1.00  0.00           O  
HETATM   20  O   UNL     1       4.207   3.182   0.910  1.00  0.00           O  
HETATM   21  N   UNL     1       3.567   3.376  -1.466  1.00  0.00           N  
HETATM   22  N   UNL     1       5.521  -1.781   0.506  1.00  0.00           N  
HETATM   23  O   UNL     1       6.540  -1.185   0.807  1.00  0.00           O  
HETATM   24  O   UNL     1       5.519  -2.998   0.460  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.606   0.463   0.333  1.00  0.00           C  
HETATM   26  F   UNL     1      -6.671   0.867   1.671  1.00  0.00           F  
HETATM   27  F   UNL     1      -6.787   1.574  -0.498  1.00  0.00           F  
HETATM   28  F   UNL     1      -7.610  -0.477   0.080  1.00  0.00           F  
HETATM   29  H   UNL     1      -2.154   0.697  -0.948  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.696  -3.143   0.129  1.00  0.00           H  
HETATM   31  H   UNL     1       5.191   0.882   0.521  1.00  0.00           H  
HETATM   32  H   UNL     1       1.078   0.949  -0.605  1.00  0.00           H  
HETATM   33  H   UNL     1       2.890  -3.490   0.639  1.00  0.00           H  
HETATM   34  H   UNL     1       0.842  -2.512  -1.267  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.476  -2.762  -1.050  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.358   1.700  -0.506  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.894  -2.130   0.573  1.00  0.00           H  
HETATM   38  H   UNL     1       3.233   4.231  -1.780  1.00  0.00           H  
HETATM   39  H   UNL     1       4.150   2.846  -2.032  1.00  0.00           H  
CONECT    1   16   16   15   29                                       
CONECT    2   16   25   17   17                                       
CONECT    3   15   15   17   30                                       
CONECT    4    5    9    9   31                                       
CONECT    5   22    6    6    4                                       
CONECT    6   10    5    5    7                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7    9   32                                       
CONECT    9    4    4    8   18                                       
CONECT   10    6   33                                                 
CONECT   11    7   12   34                                            
CONECT   12   11   13   14   14                                       
CONECT   13   15   12   35                                            
CONECT   14   12   12                                                 
CONECT   15    1   13    3    3                                       
CONECT   16    1    1    2   36                                       
CONECT   17    2    2    3   37                                       
CONECT   18    9   21   19   19                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   38   39                                            
CONECT   22   24   24   23   23                                       
CONECT   22    5                                                      
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   27    2   26   28                                       
CONECT   26   25                                                      
CONECT   27   25                                                      
CONECT   28   25                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
