COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.327  -2.772  -1.428  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.956   0.944   0.108  1.00  0.00           C  
HETATM    3  C   UNL     1       3.924  -1.572  -1.094  1.00  0.00           C  
HETATM    4  C   UNL     1       3.620  -0.959   0.115  1.00  0.00           C  
HETATM    5  C   UNL     1       0.282   2.612  -2.121  1.00  0.00           C  
HETATM    6  C   UNL     1       0.910  -5.094   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       2.129   1.927  -0.174  1.00  0.00           C  
HETATM    8  C   UNL     1       0.859   1.385  -0.136  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.069   1.726  -1.111  1.00  0.00           C  
HETATM   10  C   UNL     1       1.554   3.151  -2.153  1.00  0.00           C  
HETATM   11  C   UNL     1       2.476   2.809  -1.181  1.00  0.00           C  
HETATM   12  N   UNL     1       4.224   0.257   0.455  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.356   1.178  -1.076  1.00  0.00           N  
HETATM   14  C   UNL     1       2.421  -3.362  -0.559  1.00  0.00           C  
HETATM   15  C   UNL     1       2.717  -1.553   0.986  1.00  0.00           C  
HETATM   16  C   UNL     1       2.113  -2.747   0.645  1.00  0.00           C  
HETATM   17  O   UNL     1       1.834  -4.543  -0.890  1.00  0.00           O  
HETATM   18  S   UNL     1       3.308   1.495   1.062  1.00  0.00           S  
HETATM   19  O   UNL     1       4.178   2.611   1.194  1.00  0.00           O  
HETATM   20  O   UNL     1       2.569   0.952   2.148  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.353   0.462   0.146  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.349   1.129   1.145  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.977   0.219   1.370  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.283  -0.231   1.399  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.973  -0.441   0.216  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.359  -0.201  -1.002  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.054   0.254  -1.043  1.00  0.00           C  
HETATM   28  F   UNL     1      -6.037  -0.408  -2.151  1.00  0.00           F  
HETATM   29  F   UNL     1      -5.888  -0.468   2.584  1.00  0.00           F  
HETATM   30  H   UNL     1       3.563  -3.248  -2.368  1.00  0.00           H  
HETATM   31  H   UNL     1       4.626  -1.110  -1.772  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.436   2.876  -2.883  1.00  0.00           H  
HETATM   33  H   UNL     1       0.090  -4.394   0.209  1.00  0.00           H  
HETATM   34  H   UNL     1       0.516  -6.034  -0.334  1.00  0.00           H  
HETATM   35  H   UNL     1       1.421  -5.275   0.998  1.00  0.00           H  
HETATM   36  H   UNL     1       0.589   0.696   0.650  1.00  0.00           H  
HETATM   37  H   UNL     1       1.828   3.840  -2.938  1.00  0.00           H  
HETATM   38  H   UNL     1       3.469   3.232  -1.209  1.00  0.00           H  
HETATM   39  H   UNL     1       5.179   0.375   0.334  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.816   0.967  -1.903  1.00  0.00           H  
HETATM   41  H   UNL     1       2.480  -1.077   1.927  1.00  0.00           H  
HETATM   42  H   UNL     1       1.407  -3.207   1.321  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.440   0.381   2.293  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.992  -0.797   0.244  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.576   0.441  -1.993  1.00  0.00           H  
CONECT    1   14   14    3   30                                       
CONECT    2   21   13   22   22                                       
CONECT    3    1    4    4   31                                       
CONECT    4    3    3   15   12                                       
CONECT    5    9    9   10   32                                       
CONECT    6   17   33   34   35                                       
CONECT    7    8    8   11   18                                       
CONECT    8    9    7    7   36                                       
CONECT    9   13    5    5    8                                       
CONECT   10    5   11   11   37                                       
CONECT   11   10   10    7   38                                       
CONECT   12    4   18   39                                            
CONECT   13    2    9   40                                            
CONECT   14   17    1    1   16                                       
CONECT   15   16   16    4   41                                       
CONECT   16   14   15   15   42                                       
CONECT   17    6   14                                                 
CONECT   18    7   19   19   12                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   27   27   23    2                                       
CONECT   22    2    2                                                 
CONECT   23   24   24   21   43                                       
CONECT   24   25   29   23   23                                       
CONECT   25   26   26   24   44                                       
CONECT   26   28   25   25   27                                       
CONECT   27   26   21   21   45                                       
CONECT   28   26                                                      
CONECT   29   24                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
