COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.973  -3.249   1.760  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.193  -2.310   1.201  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.238  -2.636   0.535  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.507  -0.851   1.405  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.487  -0.011   0.679  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.324   0.440   1.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.821   0.182   2.572  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.663   1.168   0.223  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.399   1.206  -0.937  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.572   0.463  -0.703  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.514   0.326  -1.725  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.248   0.933  -2.939  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.071   1.646  -3.100  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.200   1.769  -2.121  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.361   1.814   0.412  1.00  0.00           C  
HETATM   16  C   UNL     1       0.737   0.821   0.130  1.00  0.00           C  
HETATM   17  C   UNL     1       0.426  -0.434  -0.359  1.00  0.00           C  
HETATM   18  C   UNL     1       1.433  -1.344  -0.618  1.00  0.00           C  
HETATM   19  C   UNL     1       2.752  -0.999  -0.388  1.00  0.00           C  
HETATM   20  C   UNL     1       3.064   0.256   0.100  1.00  0.00           C  
HETATM   21  C   UNL     1       2.056   1.168   0.353  1.00  0.00           C  
HETATM   22  C   UNL     1       2.396   2.537   0.885  1.00  0.00           C  
HETATM   23  S   UNL     1       4.036  -2.162  -0.711  1.00  0.00           S  
HETATM   24  O   UNL     1       3.496  -3.011  -1.715  1.00  0.00           O  
HETATM   25  O   UNL     1       5.180  -1.359  -0.969  1.00  0.00           O  
HETATM   26  C   UNL     1       4.231  -3.066   0.849  1.00  0.00           C  
HETATM   27  F   UNL     1       1.860   3.513   0.038  1.00  0.00           F  
HETATM   28  F   UNL     1       1.857   2.686   2.168  1.00  0.00           F  
HETATM   29  F   UNL     1       3.786   2.683   0.944  1.00  0.00           F  
HETATM   30  H   UNL     1      -4.731  -4.172   1.601  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.501  -0.635   1.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.478  -0.618   2.469  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.169   0.974   3.235  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.198  -0.778   2.922  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.731   0.165   2.568  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.423  -0.236  -1.572  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.952   0.850  -3.755  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.867   2.118  -4.050  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.272   2.659  -0.270  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.277   2.166   1.441  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.605  -0.704  -0.538  1.00  0.00           H  
HETATM   42  H   UNL     1       1.190  -2.325  -0.999  1.00  0.00           H  
HETATM   43  H   UNL     1       4.094   0.525   0.279  1.00  0.00           H  
HETATM   44  H   UNL     1       3.292  -3.557   1.105  1.00  0.00           H  
HETATM   45  H   UNL     1       5.015  -3.816   0.739  1.00  0.00           H  
HETATM   46  H   UNL     1       4.504  -2.369   1.641  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   31   32                                       
CONECT    5    6    6    4   10                                       
CONECT    6    7    8    5    5                                       
CONECT    7    6   33   34   35                                       
CONECT    8   15    6    9                                            
CONECT    9    8   14   14   10                                       
CONECT   10    5    9   11   11                                       
CONECT   11   10   10   12   36                                       
CONECT   12   13   13   11   37                                       
CONECT   13   14   12   12   38                                       
CONECT   14    9    9   13                                            
CONECT   15   16    8   39   40                                       
CONECT   16   21   21   17   15                                       
CONECT   17   18   18   16   41                                       
CONECT   18   19   17   17   42                                       
CONECT   19   23   20   20   18                                       
CONECT   20   19   19   21   43                                       
CONECT   21   20   22   16   16                                       
CONECT   22   28   21   27   29                                       
CONECT   23   25   25   26   24                                       
CONECT   23   24   19                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   44   45   46                                       
CONECT   27   22                                                      
CONECT   28   22                                                      
CONECT   29   22                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
