COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       0.981  -2.239  -0.362  1.00  0.00           F  
HETATM    2  C   UNL     1       1.341  -0.938  -0.317  1.00  0.00           C  
HETATM    3  C   UNL     1       2.664  -0.591  -0.068  1.00  0.00           C  
HETATM    4  O   UNL     1       3.595  -1.561   0.131  1.00  0.00           O  
HETATM    5  C   UNL     1       4.863  -0.907   0.211  1.00  0.00           C  
HETATM    6  C   UNL     1       6.004  -1.893  -0.125  1.00  0.00           C  
HETATM    7  C   UNL     1       6.853  -1.938   1.165  1.00  0.00           C  
HETATM    8  O   UNL     1       5.945  -1.550   2.218  1.00  0.00           O  
HETATM    9  C   UNL     1       5.156  -0.470   1.663  1.00  0.00           C  
HETATM   10  C   UNL     1       3.032   0.744  -0.023  1.00  0.00           C  
HETATM   11  C   UNL     1       2.080   1.731  -0.226  1.00  0.00           C  
HETATM   12  O   UNL     1       2.439   3.041  -0.182  1.00  0.00           O  
HETATM   13  C   UNL     1       3.842   3.076   0.089  1.00  0.00           C  
HETATM   14  C   UNL     1       4.313   4.530   0.152  1.00  0.00           C  
HETATM   15  C   UNL     1       0.760   1.382  -0.469  1.00  0.00           C  
HETATM   16  C   UNL     1       0.394   0.049  -0.519  1.00  0.00           C  
HETATM   17  CA  UNL     1      -1.040  -0.328  -0.789  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.223  -0.587  -2.262  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.007   0.075  -2.900  1.00  0.00           O  
HETATM   20  OXT UNL     1      -0.514  -1.554  -2.866  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.919   0.768  -0.373  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.230   0.500   0.014  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.064   1.541   0.408  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.360   1.279   0.791  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.838  -0.033   0.784  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.229  -0.317   1.195  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.699  -1.613   1.187  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.012   0.658   1.566  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.998  -1.076   0.387  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.705  -0.808   0.000  1.00  0.00           C  
HETATM   31  H   UNL     1       4.891  -0.048  -0.459  1.00  0.00           H  
HETATM   32  H   UNL     1       6.597  -1.520  -0.960  1.00  0.00           H  
HETATM   33  H   UNL     1       5.601  -2.880  -0.352  1.00  0.00           H  
HETATM   34  H   UNL     1       7.681  -1.233   1.098  1.00  0.00           H  
HETATM   35  H   UNL     1       7.225  -2.948   1.338  1.00  0.00           H  
HETATM   36  H   UNL     1       4.226  -0.353   2.221  1.00  0.00           H  
HETATM   37  H   UNL     1       5.725   0.460   1.674  1.00  0.00           H  
HETATM   38  H   UNL     1       4.059   1.015   0.171  1.00  0.00           H  
HETATM   39  H   UNL     1       4.378   2.555  -0.704  1.00  0.00           H  
HETATM   40  H   UNL     1       4.040   2.588   1.043  1.00  0.00           H  
HETATM   41  H   UNL     1       3.777   5.052   0.945  1.00  0.00           H  
HETATM   42  H   UNL     1       4.115   5.018  -0.802  1.00  0.00           H  
HETATM   43  H   UNL     1       5.383   4.557   0.359  1.00  0.00           H  
HETATM   44  H   UNL     1       0.018   2.151  -0.626  1.00  0.00           H  
HETATM   45  HA  UNL     1      -1.291  -1.228  -0.228  1.00  0.00           H  
HETATM   46  HXT UNL     1      -0.631  -1.720  -3.812  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.589   1.680  -0.368  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.694   2.556   0.414  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.007   2.088   1.098  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.612  -1.799   1.457  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.117  -2.338   0.912  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.924   0.471   1.835  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.365  -2.092   0.381  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.055  -1.614  -0.307  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   16                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    9   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9                                                 
CONECT    9    5    8   36   37                                       
CONECT   10    3   11   11   38                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   39   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   11   16   16   44                                       
CONECT   16    2   15   15   17                                       
CONECT   17   16   18   21   45                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   46                                                 
CONECT   21   17   22   47                                            
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   48                                       
CONECT   24   23   25   25   49                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   50   51                                            
CONECT   28   26   26   52                                            
CONECT   29   25   30   30   53                                       
CONECT   30   22   29   29   54                                       
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
