COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       1.327  -5.926   1.472  1.00  0.00           F  
HETATM    2  C   UNL     1       2.150  -4.905   1.149  1.00  0.00           C  
HETATM    3  C   UNL     1       3.519  -5.111   1.099  1.00  0.00           C  
HETATM    4  C   UNL     1       4.364  -4.071   0.770  1.00  0.00           C  
HETATM    5  C   UNL     1       1.623  -3.656   0.864  1.00  0.00           C  
HETATM    6  C   UNL     1       2.461  -2.611   0.533  1.00  0.00           C  
HETATM    7  C   UNL     1       3.839  -2.812   0.488  1.00  0.00           C  
HETATM    8  C   UNL     1       4.743  -1.691   0.133  1.00  0.00           C  
HETATM    9  C   UNL     1       4.216  -0.437  -0.147  1.00  0.00           C  
HETATM   10  C   UNL     1       6.124  -1.896   0.088  1.00  0.00           C  
HETATM   11  C   UNL     1       6.971  -0.855  -0.240  1.00  0.00           C  
HETATM   12  O   UNL     1       8.315  -1.061  -0.282  1.00  0.00           O  
HETATM   13  C   UNL     1       6.452   0.405  -0.529  1.00  0.00           C  
HETATM   14  O   UNL     1       7.286   1.426  -0.851  1.00  0.00           O  
HETATM   15  C   UNL     1       5.069   0.618  -0.480  1.00  0.00           C  
HETATM   16  C   UNL     1       4.514   1.952  -0.779  1.00  0.00           C  
HETATM   17  O   UNL     1       5.258   2.869  -1.068  1.00  0.00           O  
HETATM   18  N   UNL     1       3.182   2.155  -0.731  1.00  0.00           N  
HETATM   19  C   UNL     1       2.632   3.479  -1.027  1.00  0.00           C  
HETATM   20  C   UNL     1       1.130   3.438  -0.904  1.00  0.00           C  
HETATM   21  C   UNL     1       0.515   4.280  -0.111  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.986   4.239   0.012  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.401   4.080   1.491  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.751   5.347   2.052  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.634   3.151   1.438  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.785   3.816   1.964  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.513   3.067  -0.647  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.819   2.859  -0.067  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.253   1.474  -0.269  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.447   0.409  -0.541  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.543   1.011  -0.212  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.729   1.564   0.016  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.824   0.832   0.004  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.805  -0.467  -0.230  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.665  -1.108  -0.468  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.470  -0.369  -0.467  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.163  -0.672  -0.658  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.656  -2.470  -0.712  1.00  0.00           N  
HETATM   39  C   UNL     1      -6.912  -3.223  -0.709  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.624  -4.697  -1.003  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.936  -5.484  -1.000  1.00  0.00           C  
HETATM   42  H   UNL     1       3.926  -6.088   1.318  1.00  0.00           H  
HETATM   43  H   UNL     1       5.431  -4.233   0.731  1.00  0.00           H  
HETATM   44  H   UNL     1       0.555  -3.501   0.899  1.00  0.00           H  
HETATM   45  H   UNL     1       2.049  -1.638   0.310  1.00  0.00           H  
HETATM   46  H   UNL     1       3.149  -0.277  -0.109  1.00  0.00           H  
HETATM   47  H   UNL     1       6.530  -2.871   0.311  1.00  0.00           H  
HETATM   48  H   UNL     1       8.643  -1.341  -1.148  1.00  0.00           H  
HETATM   49  H   UNL     1       7.467   1.502  -1.798  1.00  0.00           H  
HETATM   50  H   UNL     1       2.589   1.423  -0.500  1.00  0.00           H  
HETATM   51  H   UNL     1       3.035   4.206  -0.322  1.00  0.00           H  
HETATM   52  H   UNL     1       2.906   3.768  -2.042  1.00  0.00           H  
HETATM   53  H   UNL     1       0.562   2.715  -1.470  1.00  0.00           H  
HETATM   54  H   UNL     1       1.084   5.003   0.454  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.426   5.143  -0.410  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.597   3.619   2.066  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.029   5.990   2.055  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.443   2.230   1.987  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.698   4.077   2.891  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.542   3.550  -0.502  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.373   0.454  -0.644  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.772   1.313   0.193  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.817  -2.926  -0.885  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.387  -3.134   0.268  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.577  -2.823  -1.474  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.149  -4.786  -1.980  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.959  -5.097  -0.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.731  -6.534  -1.209  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.411  -5.394  -0.023  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.601  -5.084  -1.765  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3    7    7   43                                       
CONECT    5    2    6    6   44                                       
CONECT    6    5    5    7   45                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   15   46                                       
CONECT   10    8   11   11   47                                       
CONECT   11   10   10   12   13                                       
CONECT   12   11   48                                                 
CONECT   13   11   14   15   15                                       
CONECT   14   13   49                                                 
CONECT   15    9   13   13   16                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   50                                            
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   22   54                                       
CONECT   22   21   23   27   55                                       
CONECT   23   22   24   25   56                                       
CONECT   24   23   57                                                 
CONECT   25   23   26   28   58                                       
CONECT   26   25   59                                                 
CONECT   27   22   28                                                 
CONECT   28   25   27   29   60                                       
CONECT   29   28   30   31                                            
CONECT   30   29   37   37   61                                       
CONECT   31   29   32   32   36                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34   62                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   38                                       
CONECT   36   31   35   35   37                                       
CONECT   37   30   30   36                                            
CONECT   38   35   39   63                                            
CONECT   39   38   40   64   65                                       
CONECT   40   39   41   66   67                                       
CONECT   41   40   68   69   70                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   38                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
CONECT   67   40                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
