COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -4.367  -2.228   0.489  1.00  0.00           F  
HETATM    2  C   UNL     1      -5.031  -1.063   0.655  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.336  -1.071   1.125  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.030   0.107   1.301  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.428   1.326   1.008  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.857   2.634   1.080  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.860   3.472   0.668  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.775   2.757   0.322  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.107   1.349   0.531  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.402   0.143   0.359  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.008   0.156  -0.137  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.448   1.322  -0.400  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.191   1.394  -0.851  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.569   2.621  -1.140  1.00  0.00           C  
HETATM   15  C   UNL     1       0.720   2.597  -1.597  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.380  -1.009  -0.290  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.133  -1.067  -0.730  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.487  -2.275  -0.887  1.00  0.00           N  
HETATM   19  C   UNL     1       0.763  -2.309  -0.115  1.00  0.00           C  
HETATM   20  C   UNL     1       1.475  -3.641  -0.363  1.00  0.00           C  
HETATM   21  O   UNL     1       0.597  -4.716  -0.019  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.630  -4.715  -0.753  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.363  -3.393  -0.508  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.461   0.196  -1.045  1.00  0.00           C  
HETATM   25  N   UNL     1       0.790   0.237  -1.492  1.00  0.00           N  
HETATM   26  C   UNL     1       1.377   1.380  -1.764  1.00  0.00           C  
HETATM   27  C   UNL     1       2.796   1.375  -2.269  1.00  0.00           C  
HETATM   28  N   UNL     1       3.721   1.324  -1.129  1.00  0.00           N  
HETATM   29  C   UNL     1       5.105   1.556  -1.563  1.00  0.00           C  
HETATM   30  C   UNL     1       6.018   1.641  -0.338  1.00  0.00           C  
HETATM   31  C   UNL     1       3.597   0.052  -0.406  1.00  0.00           C  
HETATM   32  C   UNL     1       4.465   0.092   0.854  1.00  0.00           C  
HETATM   33  C   UNL     1       5.924   0.334   0.455  1.00  0.00           C  
HETATM   34  C   UNL     1       6.787   0.436   1.714  1.00  0.00           C  
HETATM   35  O   UNL     1       6.786  -0.820   2.396  1.00  0.00           O  
HETATM   36  C   UNL     1       8.220   0.801   1.321  1.00  0.00           C  
HETATM   37  C   UNL     1       6.220   1.518   2.635  1.00  0.00           C  
HETATM   38  H   UNL     1      -6.814  -2.012   1.356  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.046   0.083   1.668  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.736   2.917   1.378  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.932   4.549   0.626  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.836   3.149  -0.040  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.093   3.556  -1.006  1.00  0.00           H  
HETATM   44  H   UNL     1       1.228   3.521  -1.830  1.00  0.00           H  
HETATM   45  H   UNL     1       1.408  -1.487  -0.429  1.00  0.00           H  
HETATM   46  H   UNL     1       0.538  -2.209   0.947  1.00  0.00           H  
HETATM   47  H   UNL     1       1.748  -3.717  -1.416  1.00  0.00           H  
HETATM   48  H   UNL     1       2.374  -3.694   0.251  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.418  -4.822  -1.817  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.254  -5.545  -0.421  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.622  -3.311   0.548  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.272  -3.364  -1.110  1.00  0.00           H  
HETATM   53  H   UNL     1       2.953   0.502  -2.903  1.00  0.00           H  
HETATM   54  H   UNL     1       2.980   2.281  -2.846  1.00  0.00           H  
HETATM   55  H   UNL     1       5.428   0.732  -2.200  1.00  0.00           H  
HETATM   56  H   UNL     1       5.159   2.490  -2.121  1.00  0.00           H  
HETATM   57  H   UNL     1       7.047   1.797  -0.661  1.00  0.00           H  
HETATM   58  H   UNL     1       5.704   2.473   0.293  1.00  0.00           H  
HETATM   59  H   UNL     1       2.556  -0.106  -0.125  1.00  0.00           H  
HETATM   60  H   UNL     1       3.928  -0.764  -1.049  1.00  0.00           H  
HETATM   61  H   UNL     1       4.127   0.900   1.503  1.00  0.00           H  
HETATM   62  H   UNL     1       4.384  -0.858   1.382  1.00  0.00           H  
HETATM   63  H   UNL     1       6.274  -0.493  -0.162  1.00  0.00           H  
HETATM   64  H   UNL     1       7.133  -1.553   1.870  1.00  0.00           H  
HETATM   65  H   UNL     1       8.222   1.759   0.801  1.00  0.00           H  
HETATM   66  H   UNL     1       8.836   0.874   2.218  1.00  0.00           H  
HETATM   67  H   UNL     1       8.625   0.031   0.664  1.00  0.00           H  
HETATM   68  H   UNL     1       5.199   1.258   2.915  1.00  0.00           H  
HETATM   69  H   UNL     1       6.835   1.590   3.532  1.00  0.00           H  
HETATM   70  H   UNL     1       6.221   2.476   2.115  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   10                                       
CONECT    3    2    2    4   38                                       
CONECT    4    3    5    5   39                                       
CONECT    5    4    4    9    6                                       
CONECT    6    5    7   40                                            
CONECT    7    6    8    8   41                                       
CONECT    8    9    7    7   42                                       
CONECT    9   10   10    5    8                                       
CONECT   10    2   11    9    9                                       
CONECT   11   12   12   10   16                                       
CONECT   12   13   11   11                                            
CONECT   13   14   14   12   24                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   26   26   44                                       
CONECT   16   11   17   17                                            
CONECT   17   24   16   16   18                                       
CONECT   18   17   19   23                                            
CONECT   19   18   20   45   46                                       
CONECT   20   19   21   47   48                                       
CONECT   21   20   22                                                 
CONECT   22   23   21   49   50                                       
CONECT   23   18   22   51   52                                       
CONECT   24   13   25   25   17                                       
CONECT   25   26   24   24                                            
CONECT   26   15   15   25   27                                       
CONECT   27   28   26   53   54                                       
CONECT   28   31   29   27                                            
CONECT   29   30   28   55   56                                       
CONECT   30   33   29   57   58                                       
CONECT   31   32   28   59   60                                       
CONECT   32   33   31   61   62                                       
CONECT   33   34   32   30   63                                       
CONECT   34   35   36   37   33                                       
CONECT   35   34   64                                                 
CONECT   36   34   65   66   67                                       
CONECT   37   34   68   69   70                                       
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
