COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.396  -1.679   1.735  1.00  0.00           O  
HETATM    2  C   UNL     1       1.930  -1.785   0.621  1.00  0.00           C  
HETATM    3  N   UNL     1       1.522  -2.988   0.172  1.00  0.00           N  
HETATM    4  O   UNL     1       1.732  -4.146   0.960  1.00  0.00           O  
HETATM    5  C   UNL     1       1.802  -0.569  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1       0.507   0.172   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.692  -0.715  -0.264  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.988   0.063  -0.024  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.186  -0.825  -0.366  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.430  -0.078  -0.135  1.00  0.00           N  
HETATM   11  C   UNL     1      -5.605  -0.900  -0.454  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.859  -0.102  -0.205  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.405   0.660  -1.221  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.555   1.392  -0.994  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.161   1.362   0.250  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.613   0.598   1.267  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.465  -0.137   1.036  1.00  0.00           C  
HETATM   18  F   UNL     1     -10.285   2.077   0.473  1.00  0.00           F  
HETATM   19  C   UNL     1       2.996   0.359  -0.026  1.00  0.00           C  
HETATM   20  C   UNL     1       4.279  -0.333  -0.491  1.00  0.00           C  
HETATM   21  O   UNL     1       4.228  -0.532  -1.905  1.00  0.00           O  
HETATM   22  C   UNL     1       3.927  -1.874  -2.294  1.00  0.00           C  
HETATM   23  C   UNL     1       5.467   0.527  -0.147  1.00  0.00           C  
HETATM   24  C   UNL     1       6.226   0.241   0.972  1.00  0.00           C  
HETATM   25  C   UNL     1       7.316   1.029   1.289  1.00  0.00           C  
HETATM   26  C   UNL     1       7.648   2.106   0.484  1.00  0.00           C  
HETATM   27  C   UNL     1       6.887   2.392  -0.637  1.00  0.00           C  
HETATM   28  C   UNL     1       5.800   1.599  -0.954  1.00  0.00           C  
HETATM   29  F   UNL     1       8.713   2.878   0.792  1.00  0.00           F  
HETATM   30  H   UNL     1       1.084  -3.061  -0.691  1.00  0.00           H  
HETATM   31  H   UNL     1       1.406  -4.961   0.555  1.00  0.00           H  
HETATM   32  H   UNL     1       1.782  -0.878  -1.306  1.00  0.00           H  
HETATM   33  H   UNL     1       0.491   0.410   1.141  1.00  0.00           H  
HETATM   34  H   UNL     1       0.453   1.094  -0.502  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.637  -1.014  -1.311  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.679  -1.603   0.368  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.043   0.361   1.023  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.001   0.951  -0.656  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.131  -1.123  -1.413  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.173  -1.712   0.266  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.475   0.266   0.812  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.566  -1.199  -1.501  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.608  -1.788   0.178  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.932   0.684  -2.192  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.981   1.988  -1.788  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.086   0.570   2.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.038  -0.733   1.829  1.00  0.00           H  
HETATM   48  H   UNL     1       2.856   1.281  -0.591  1.00  0.00           H  
HETATM   49  H   UNL     1       3.072   0.591   1.036  1.00  0.00           H  
HETATM   50  H   UNL     1       4.372  -1.298   0.008  1.00  0.00           H  
HETATM   51  H   UNL     1       2.942  -2.149  -1.917  1.00  0.00           H  
HETATM   52  H   UNL     1       3.934  -1.947  -3.381  1.00  0.00           H  
HETATM   53  H   UNL     1       4.676  -2.548  -1.879  1.00  0.00           H  
HETATM   54  H   UNL     1       5.967  -0.599   1.600  1.00  0.00           H  
HETATM   55  H   UNL     1       7.909   0.806   2.163  1.00  0.00           H  
HETATM   56  H   UNL     1       7.144   3.232  -1.265  1.00  0.00           H  
HETATM   57  H   UNL     1       5.206   1.822  -1.828  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    1    1                                       
CONECT    3    2    4   30                                            
CONECT    4    3   31                                                 
CONECT    5    6   19    2   32                                       
CONECT    6    7    5   33   34                                       
CONECT    7    8    6   35   36                                       
CONECT    8    9    7   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11   41                                            
CONECT   11   12   10   42   43                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   44                                       
CONECT   14   15   15   13   45                                       
CONECT   15   16   18   14   14                                       
CONECT   16   17   17   15   46                                       
CONECT   17   16   16   12   47                                       
CONECT   18   15                                                      
CONECT   19    5   20   48   49                                       
CONECT   20   19   21   23   50                                       
CONECT   21   22   20                                                 
CONECT   22   21   51   52   53                                       
CONECT   23   28   20   24   24                                       
CONECT   24   23   23   25   54                                       
CONECT   25   26   26   24   55                                       
CONECT   26   27   29   25   25                                       
CONECT   27   28   28   26   56                                       
CONECT   28   27   27   23   57                                       
CONECT   29   26                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
