COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OE2 UNL     1       8.550   2.959  -3.073  1.00  0.00           O  
HETATM    2  CD  UNL     1       7.693   3.372  -2.126  1.00  0.00           C  
HETATM    3  OE1 UNL     1       7.357   4.532  -2.080  1.00  0.00           O  
HETATM    4  CG  UNL     1       7.150   2.390  -1.121  1.00  0.00           C  
HETATM    5  CB  UNL     1       6.203   3.114  -0.161  1.00  0.00           C  
HETATM    6  CA  UNL     1       5.652   2.116   0.860  1.00  0.00           C  
HETATM    7  C   UNL     1       4.817   2.849   1.878  1.00  0.00           C  
HETATM    8  O   UNL     1       3.650   2.571   2.016  1.00  0.00           O  
HETATM    9  OXT UNL     1       5.371   3.812   2.632  1.00  0.00           O  
HETATM   10  N   UNL     1       4.823   1.122   0.173  1.00  0.00           N  
HETATM   11  C   UNL     1       4.645  -0.098   0.716  1.00  0.00           C  
HETATM   12  O   UNL     1       5.173  -0.375   1.776  1.00  0.00           O  
HETATM   13  N   UNL     1       3.883  -1.012   0.085  1.00  0.00           N  
HETATM   14  CA  UNL     1       3.690  -2.339   0.675  1.00  0.00           C  
HETATM   15  C   UNL     1       4.836  -3.236   0.282  1.00  0.00           C  
HETATM   16  O   UNL     1       5.722  -2.810  -0.420  1.00  0.00           O  
HETATM   17  OXT UNL     1       4.871  -4.507   0.711  1.00  0.00           O  
HETATM   18  C   UNL     1       2.376  -2.938   0.167  1.00  0.00           C  
HETATM   19  C   UNL     1       1.203  -2.095   0.672  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.110  -2.694   0.164  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.266  -1.864   0.662  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.057  -0.837   1.273  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.532  -2.263   0.428  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.774  -3.500  -0.179  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.385  -4.520   0.539  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.623  -5.740  -0.064  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.254  -5.946  -1.380  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.646  -4.933  -2.098  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.411  -3.709  -1.503  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.654  -1.402   0.810  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.003  -0.473  -0.354  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.125   0.388   0.028  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.608   1.293  -0.846  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.112   1.395  -1.952  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.739   2.161  -0.461  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.253   3.102  -1.363  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.312   3.891  -0.955  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.828   3.727   0.322  1.00  0.00           C  
HETATM   39  F   UNL     1      -9.863   4.495   0.725  1.00  0.00           F  
HETATM   40  N   UNL     1      -8.321   2.831   1.151  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.316   2.054   0.805  1.00  0.00           C  
HETATM   42  HE2 UNL     1       8.871   3.625  -3.696  1.00  0.00           H  
HETATM   43  HG1 UNL     1       6.607   1.601  -1.641  1.00  0.00           H  
HETATM   44  HG2 UNL     1       7.975   1.953  -0.557  1.00  0.00           H  
HETATM   45  HB1 UNL     1       6.746   3.903   0.359  1.00  0.00           H  
HETATM   46  HB2 UNL     1       5.378   3.550  -0.724  1.00  0.00           H  
HETATM   47  HA  UNL     1       6.479   1.615   1.362  1.00  0.00           H  
HETATM   48  HXT UNL     1       4.796   4.254   3.271  1.00  0.00           H  
HETATM   49  H   UNL     1       4.401   1.343  -0.672  1.00  0.00           H  
HETATM   50  H   UNL     1       3.461  -0.792  -0.761  1.00  0.00           H  
HETATM   51  HA  UNL     1       3.653  -2.252   1.761  1.00  0.00           H  
HETATM   52  HXT UNL     1       5.626  -5.043   0.432  1.00  0.00           H  
HETATM   53  H   UNL     1       2.377  -2.943  -0.923  1.00  0.00           H  
HETATM   54  H   UNL     1       2.276  -3.959   0.535  1.00  0.00           H  
HETATM   55  H   UNL     1       1.202  -2.090   1.762  1.00  0.00           H  
HETATM   56  H   UNL     1       1.304  -1.074   0.304  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.109  -2.699  -0.926  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.211  -3.715   0.532  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.672  -4.360   1.567  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.097  -6.534   0.494  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.441  -6.901  -1.849  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.358  -5.097  -3.126  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.936  -2.917  -2.064  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.518  -2.019   1.055  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.375  -0.806   1.679  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.138   0.144  -0.599  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.282  -1.069  -1.223  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.520   0.307   0.910  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.832   3.209  -2.352  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.734   4.627  -1.624  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.932   1.330   1.508  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    7    5   10   47                                       
CONECT    7    8    8    9    6                                       
CONECT    8    7    7                                                 
CONECT    9    7   48                                                 
CONECT   10    6   11   49                                            
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   50                                            
CONECT   14   18   13   15   51                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   52                                                 
CONECT   18   19   14   53   54                                       
CONECT   19   20   18   55   56                                       
CONECT   20   21   19   57   58                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   30                                            
CONECT   24   25   25   29   23                                       
CONECT   25   26   24   24   59                                       
CONECT   26   27   27   25   60                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   29   29   62                                       
CONECT   29   28   28   24   63                                       
CONECT   30   23   31   64   65                                       
CONECT   31   30   32   66   67                                       
CONECT   32   31   33   68                                            
CONECT   33   34   34   32   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   41                                       
CONECT   36   35   35   37   69                                       
CONECT   37   36   38   38   70                                       
CONECT   38   37   37   40   39                                       
CONECT   39   38                                                      
CONECT   40   41   41   38                                            
CONECT   41   35   40   40   71                                       
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   41                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
