COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -7.780   3.181  -0.350  1.00  0.00           F  
HETATM    2  C   UNL     1      -7.518   1.896  -0.025  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.539   0.960  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.270  -0.354   0.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.983  -0.735   0.639  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.229   1.513   0.303  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.964   0.199   0.640  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.562  -0.217   1.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.815  -0.653  -0.259  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.449  -1.058   0.095  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.701  -1.484  -1.095  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.307  -1.892  -0.693  1.00  0.00           C  
HETATM   13  C   UNL     1       0.716  -0.957  -0.666  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.035  -3.201  -0.342  1.00  0.00           C  
HETATM   15  N   UNL     1       1.181  -3.568   0.012  1.00  0.00           N  
HETATM   16  C   UNL     1       2.183  -2.711   0.046  1.00  0.00           C  
HETATM   17  C   UNL     1       1.987  -1.379  -0.289  1.00  0.00           C  
HETATM   18  O   UNL     1       3.022  -0.499  -0.248  1.00  0.00           O  
HETATM   19  C   UNL     1       4.295  -1.012   0.150  1.00  0.00           C  
HETATM   20  C   UNL     1       5.311   0.100   0.136  1.00  0.00           C  
HETATM   21  N   UNL     1       6.562  -0.156   0.473  1.00  0.00           N  
HETATM   22  C   UNL     1       7.488   0.790   0.474  1.00  0.00           C  
HETATM   23  N   UNL     1       8.793   0.477   0.835  1.00  0.00           N  
HETATM   24  C   UNL     1       7.167   2.096   0.116  1.00  0.00           C  
HETATM   25  C   UNL     1       5.864   2.395  -0.242  1.00  0.00           C  
HETATM   26  C   UNL     1       4.924   1.372  -0.235  1.00  0.00           C  
HETATM   27  C   UNL     1       5.476   3.796  -0.636  1.00  0.00           C  
HETATM   28  H   UNL     1      -9.544   1.256  -0.285  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.066  -1.085   0.307  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.774  -1.762   0.899  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.432   2.242   0.303  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.040   0.624   1.461  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.600  -1.048   1.708  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.337  -1.494  -0.717  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.777   0.178  -0.964  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.457  -1.784   0.796  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.207  -2.331  -1.559  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.648  -0.659  -1.806  1.00  0.00           H  
HETATM   39  H   UNL     1       0.532   0.073  -0.933  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.829  -3.932  -0.356  1.00  0.00           H  
HETATM   41  H   UNL     1       3.165  -3.049   0.341  1.00  0.00           H  
HETATM   42  H   UNL     1       4.222  -1.424   1.156  1.00  0.00           H  
HETATM   43  H   UNL     1       4.603  -1.795  -0.542  1.00  0.00           H  
HETATM   44  H   UNL     1       9.021  -0.432   1.085  1.00  0.00           H  
HETATM   45  H   UNL     1       9.475   1.166   0.838  1.00  0.00           H  
HETATM   46  H   UNL     1       7.924   2.866   0.118  1.00  0.00           H  
HETATM   47  H   UNL     1       3.899   1.572  -0.510  1.00  0.00           H  
HETATM   48  H   UNL     1       5.602   3.920  -1.712  1.00  0.00           H  
HETATM   49  H   UNL     1       4.433   3.972  -0.370  1.00  0.00           H  
HETATM   50  H   UNL     1       6.110   4.510  -0.111  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    6    6    3    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    5    3    3   29                                       
CONECT    5    7    7    4   30                                       
CONECT    6    7    2    2   31                                       
CONECT    7    8    5    5    6                                       
CONECT    8    9    7   32   33                                       
CONECT    9   10    8   34   35                                       
CONECT   10   11    9   36                                            
CONECT   11   12   10   37   38                                       
CONECT   12   13   11   14   14                                       
CONECT   13   17   17   12   39                                       
CONECT   14   12   12   15   40                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   41                                       
CONECT   17   18   13   13   16                                       
CONECT   18   17   19                                                 
CONECT   19   20   18   42   43                                       
CONECT   20   26   26   21   19                                       
CONECT   21   22   22   20                                            
CONECT   22   24   23   21   21                                       
CONECT   23   22   44   45                                            
CONECT   24   25   25   22   46                                       
CONECT   25   27   24   24   26                                       
CONECT   26   25   20   20   47                                       
CONECT   27   25   48   49   50                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
