COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.510   2.323   0.101  1.00  0.00           C  
HETATM    2  C   UNL     1       1.955   0.657  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1       0.863  -0.164  -0.851  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.413   0.335  -0.623  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.781   0.156  -0.612  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.059   0.775   1.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.064   1.417   1.795  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.445   3.367   1.951  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.440   2.731   1.230  1.00  0.00           C  
HETATM   10  N   UNL     1       0.326   3.602   0.597  1.00  0.00           N  
HETATM   11  N   UNL     1       1.741   1.883  -0.109  1.00  0.00           N  
HETATM   12  N   UNL     1       3.246   0.201  -0.792  1.00  0.00           N  
HETATM   13  C   UNL     1       4.232   1.231  -0.439  1.00  0.00           C  
HETATM   14  C   UNL     1       5.633   0.753  -0.834  1.00  0.00           C  
HETATM   15  C   UNL     1       5.937  -0.561  -0.119  1.00  0.00           C  
HETATM   16  C   UNL     1       4.867  -1.601  -0.438  1.00  0.00           C  
HETATM   17  C   UNL     1       3.491  -1.046  -0.057  1.00  0.00           C  
HETATM   18  C   UNL     1       6.016  -0.331   1.401  1.00  0.00           C  
HETATM   19  N   UNL     1       7.465  -0.144   1.673  1.00  0.00           N  
HETATM   20  CA  UNL     1       8.136  -1.127   0.784  1.00  0.00           C  
HETATM   21  C   UNL     1       9.566  -0.722   0.536  1.00  0.00           C  
HETATM   22  O   UNL     1       9.916   0.416   0.743  1.00  0.00           O  
HETATM   23  OXT UNL     1      10.451  -1.624   0.084  1.00  0.00           O  
HETATM   24  C   UNL     1       7.324  -1.081  -0.530  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.504  -0.430  -0.873  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.281   0.870  -1.870  1.00  0.00           C  
HETATM   27  F   UNL     1      -3.396  -0.052  -2.915  1.00  0.00           F  
HETATM   28  F   UNL     1      -4.531   1.444  -1.614  1.00  0.00           F  
HETATM   29  F   UNL     1      -2.373   1.872  -2.229  1.00  0.00           F  
HETATM   30  C   UNL     1      -3.759  -0.922  -0.224  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.571  -2.217  -0.664  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.468  -3.208  -0.310  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.558  -2.909   0.488  1.00  0.00           C  
HETATM   34 CL   UNL     1      -6.680  -4.159   0.928  1.00  0.00          Cl  
HETATM   35  C   UNL     1      -5.756  -1.616   0.934  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.852  -0.615   0.584  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.262   2.710   2.236  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.251   1.440   0.780  1.00  0.00           C  
HETATM   39  N   UNL     1      -0.551   1.568  -0.146  1.00  0.00           N  
HETATM   40  H   UNL     1       1.005  -1.164  -1.234  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.691   0.875   0.203  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.141   0.904   2.019  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.596   4.379   2.298  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.362   3.249   1.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.570   3.935   0.760  1.00  0.00           H  
HETATM   46  H   UNL     1       1.094   4.165   0.783  1.00  0.00           H  
HETATM   47  H   UNL     1       4.000   2.154  -0.972  1.00  0.00           H  
HETATM   48  H   UNL     1       4.199   1.413   0.635  1.00  0.00           H  
HETATM   49  H   UNL     1       5.674   0.599  -1.912  1.00  0.00           H  
HETATM   50  H   UNL     1       6.368   1.503  -0.545  1.00  0.00           H  
HETATM   51  H   UNL     1       4.886  -1.827  -1.505  1.00  0.00           H  
HETATM   52  H   UNL     1       5.063  -2.510   0.130  1.00  0.00           H  
HETATM   53  H   UNL     1       3.464  -0.848   1.014  1.00  0.00           H  
HETATM   54  H   UNL     1       2.722  -1.775  -0.312  1.00  0.00           H  
HETATM   55  H   UNL     1       5.458   0.562   1.680  1.00  0.00           H  
HETATM   56  H   UNL     1       5.635  -1.200   1.937  1.00  0.00           H  
HETATM   57  H   UNL     1       7.678  -0.330   2.642  1.00  0.00           H  
HETATM   58  HA  UNL     1       8.095  -2.125   1.221  1.00  0.00           H  
HETATM   59  HXT UNL     1      11.356  -1.317  -0.060  1.00  0.00           H  
HETATM   60  H   UNL     1       7.243  -2.079  -0.961  1.00  0.00           H  
HETATM   61  H   UNL     1       7.791  -0.398  -1.240  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.721  -2.456  -1.287  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.317  -4.220  -0.657  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.605  -1.383   1.559  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.492   3.209   2.805  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.028   0.944   0.217  1.00  0.00           H  
CONECT    1   10   11   11   39                                       
CONECT    2   11   12    3    3                                       
CONECT    3    2    2    4   40                                       
CONECT    4   39   39    3   25                                       
CONECT    5   30   25   26   41                                       
CONECT    6   38   38    7   36                                       
CONECT    7   37   37    6   42                                       
CONECT    8    9    9   37   43                                       
CONECT    9    8    8   38   44                                       
CONECT   10    1   45   46                                            
CONECT   11    1    1    2                                            
CONECT   12   17    2   13                                            
CONECT   13   12   14   47   48                                       
CONECT   14   15   13   49   50                                       
CONECT   15   16   24   14   18                                       
CONECT   16   17   15   51   52                                       
CONECT   17   16   12   53   54                                       
CONECT   18   15   19   55   56                                       
CONECT   19   20   18   57                                            
CONECT   20   21   24   19   58                                       
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   59                                                 
CONECT   24   20   15   60   61                                       
CONECT   25    4    5                                                 
CONECT   26    5   27   28   29                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   26                                                      
CONECT   30   36    5   31   31                                       
CONECT   31   30   30   32   62                                       
CONECT   32   33   33   31   63                                       
CONECT   33   35   34   32   32                                       
CONECT   34   33                                                      
CONECT   35   36   36   33   64                                       
CONECT   36    6   35   35   30                                       
CONECT   37    8    7    7   65                                       
CONECT   38    9    6    6   66                                       
CONECT   39    1    4    4                                            
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
