COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.664   0.876   0.831  1.00  0.00           C  
HETATM    2  C   UNL     1       9.480  -1.382   0.806  1.00  0.00           C  
HETATM    3  C   UNL     1       8.220  -1.845   0.490  1.00  0.00           C  
HETATM    4  C   UNL     1       7.165  -0.944   0.334  1.00  0.00           C  
HETATM    5  F   UNL     1      -8.490   0.737  -0.483  1.00  0.00           F  
HETATM    6  C   UNL     1      -7.971   0.032   0.608  1.00  0.00           C  
HETATM    7  F   UNL     1      -7.906   0.878   1.721  1.00  0.00           F  
HETATM    8  F   UNL     1      -8.799  -1.057   0.897  1.00  0.00           F  
HETATM    9  C   UNL     1      -6.588  -0.463   0.273  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.487   0.323   0.551  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.422  -1.708  -0.307  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.154  -2.167  -0.615  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.049  -1.383  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.212  -0.135   0.243  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.095   0.659   0.523  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.018   0.616  -0.286  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.053  -0.036  -1.308  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.771   1.380   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1       0.293   1.164  -1.000  1.00  0.00           C  
HETATM   20  C   UNL     1       1.565   1.911  -0.657  1.00  0.00           C  
HETATM   21  O   UNL     1       1.616   3.120  -0.545  1.00  0.00           O  
HETATM   22  N   UNL     1       2.602   1.136  -0.494  1.00  0.00           N  
HETATM   23  C   UNL     1       2.528  -0.171  -0.620  1.00  0.00           C  
HETATM   24  S   UNL     1       0.848  -0.576  -1.023  1.00  0.00           S  
HETATM   25  N   UNL     1       3.556  -1.056  -0.468  1.00  0.00           N  
HETATM   26  N   UNL     1       4.838  -0.591  -0.147  1.00  0.00           N  
HETATM   27  C   UNL     1       5.816  -1.433  -0.003  1.00  0.00           C  
HETATM   28  C   UNL     1       9.702  -0.026   0.977  1.00  0.00           C  
HETATM   29  C   UNL     1       7.393   0.428   0.513  1.00  0.00           C  
HETATM   30  O   UNL     1       6.372   1.313   0.376  1.00  0.00           O  
HETATM   31  H   UNL     1       8.844   1.932   0.970  1.00  0.00           H  
HETATM   32  H   UNL     1      10.296  -2.079   0.922  1.00  0.00           H  
HETATM   33  H   UNL     1       8.050  -2.904   0.358  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.617   1.293   1.008  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.284  -2.323  -0.519  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.028  -3.139  -1.068  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.060  -1.742  -0.586  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.095   1.240   1.299  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.003   2.442   0.152  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.394   1.023   1.037  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.083   1.463  -1.978  1.00  0.00           H  
HETATM   42  H   UNL     1       3.399  -2.006  -0.583  1.00  0.00           H  
HETATM   43  H   UNL     1       5.641  -2.491  -0.131  1.00  0.00           H  
HETATM   44  H   UNL     1      10.691   0.329   1.224  1.00  0.00           H  
HETATM   45  H   UNL     1       6.263   1.650  -0.523  1.00  0.00           H  
CONECT    1   28   29   29   31                                       
CONECT    2   28   28    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3   29   27                                       
CONECT    5    6                                                      
CONECT    6    7    5    8    9                                       
CONECT    7    6                                                      
CONECT    8    6                                                      
CONECT    9    6   10   10   11                                       
CONECT   10    9    9   14   34                                       
CONECT   11    9   12   12   35                                       
CONECT   12   11   11   13   36                                       
CONECT   13   14   14   12   37                                       
CONECT   14   10   15   13   13                                       
CONECT   15   16   14   38                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   39   40                                       
CONECT   19   18   24   20   41                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23                                            
CONECT   23   24   22   22   25                                       
CONECT   24   19   23                                                 
CONECT   25   26   23   42                                            
CONECT   26   27   27   25                                            
CONECT   27    4   26   26   43                                       
CONECT   28    2    2    1   44                                       
CONECT   29    1    1    4   30                                       
CONECT   30   29   45                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   30                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
