COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -5.194   3.426  -2.307  1.00  0.00           F  
HETATM    2  C   UNL     1      -4.101   3.433  -1.513  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.300   4.557  -1.448  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.182   4.567  -0.635  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.860   3.447   0.118  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.761   3.458   0.917  1.00  0.00           O  
HETATM    7  C   UNL     1       0.324   2.746   0.518  1.00  0.00           C  
HETATM    8  C   UNL     1       0.336   2.132  -0.728  1.00  0.00           C  
HETATM    9  C   UNL     1       1.427   1.410  -1.144  1.00  0.00           C  
HETATM   10  C   UNL     1       2.563   1.271  -0.317  1.00  0.00           C  
HETATM   11  N   UNL     1       3.709   0.604  -0.566  1.00  0.00           N  
HETATM   12  C   UNL     1       4.621   0.612   0.342  1.00  0.00           C  
HETATM   13  N   UNL     1       5.848  -0.023   0.237  1.00  0.00           N  
HETATM   14  C   UNL     1       6.156  -0.714  -0.879  1.00  0.00           C  
HETATM   15  O   UNL     1       5.359  -0.780  -1.790  1.00  0.00           O  
HETATM   16  C   UNL     1       7.490  -1.405  -0.993  1.00  0.00           C  
HETATM   17  C   UNL     1       7.779  -2.175  -2.283  1.00  0.00           C  
HETATM   18  C   UNL     1       7.496  -2.935  -0.985  1.00  0.00           C  
HETATM   19  S   UNL     1       4.089   1.545   1.734  1.00  0.00           S  
HETATM   20  C   UNL     1       2.556   1.886   0.936  1.00  0.00           C  
HETATM   21  C   UNL     1       1.437   2.631   1.357  1.00  0.00           C  
HETATM   22  C   UNL     1       1.437   3.265   2.641  1.00  0.00           C  
HETATM   23  N   UNL     1       1.438   3.767   3.660  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.661   2.317   0.057  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.786   2.310  -0.754  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.598   1.170  -0.818  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.117  -0.023  -0.417  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.948  -0.132  -0.098  1.00  0.00           O  
HETATM   29  N   UNL     1      -4.930  -1.097  -0.371  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.460  -2.309   0.146  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.309  -3.131   0.876  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.842  -4.327   1.384  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.529  -4.706   1.167  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.682  -3.891   0.441  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.145  -2.696  -0.075  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.253  -4.308   0.208  1.00  0.00           C  
HETATM   37  F   UNL     1      -1.016  -4.414  -1.167  1.00  0.00           F  
HETATM   38  F   UNL     1      -0.392  -3.351   0.756  1.00  0.00           F  
HETATM   39  F   UNL     1      -1.023  -5.546   0.817  1.00  0.00           F  
HETATM   40  H   UNL     1      -3.547   5.430  -2.034  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.557   5.447  -0.587  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.522   2.224  -1.377  1.00  0.00           H  
HETATM   43  H   UNL     1       1.415   0.940  -2.116  1.00  0.00           H  
HETATM   44  H   UNL     1       6.485   0.029   0.966  1.00  0.00           H  
HETATM   45  H   UNL     1       8.326  -0.896  -0.513  1.00  0.00           H  
HETATM   46  H   UNL     1       7.004  -2.182  -3.049  1.00  0.00           H  
HETATM   47  H   UNL     1       8.805  -2.173  -2.652  1.00  0.00           H  
HETATM   48  H   UNL     1       8.336  -3.433  -0.500  1.00  0.00           H  
HETATM   49  H   UNL     1       6.535  -3.442  -0.897  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.414   1.446   0.646  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.506   1.240  -1.151  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.842  -1.029  -0.695  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.334  -2.835   1.046  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.501  -4.966   1.951  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.165  -5.640   1.570  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.482  -2.059  -0.642  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   25    1    3    3                                       
CONECT    3    2    2    4   40                                       
CONECT    4    5    5    3   41                                       
CONECT    5   24    6    4    4                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   21                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9   20   11                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   19   13                                       
CONECT   13   12   14   44                                            
CONECT   14   15   15   13   16                                       
CONECT   15   14   14                                                 
CONECT   16   18   14   17   45                                       
CONECT   17   18   16   46   47                                       
CONECT   18   17   16   48   49                                       
CONECT   19   20   12                                                 
CONECT   20   21   21   10   19                                       
CONECT   21    7   22   20   20                                       
CONECT   22   21   23   23   23                                       
CONECT   23   22   22   22                                            
CONECT   24   25   25    5   50                                       
CONECT   25   26   24   24    2                                       
CONECT   26   27   25   51                                            
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   52                                            
CONECT   30   35   35   31   29                                       
CONECT   31   32   32   30   53                                       
CONECT   32   33   31   31   54                                       
CONECT   33   34   34   32   55                                       
CONECT   34   36   33   33   35                                       
CONECT   35   34   30   30   56                                       
CONECT   36   37   38   39   34                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   35                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
