COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.890   3.385  -0.062  1.00  0.00           C  
HETATM    2  O   UNL     1       9.265   2.034  -0.335  1.00  0.00           O  
HETATM    3  C   UNL     1       8.263   1.119  -0.417  1.00  0.00           C  
HETATM    4  C   UNL     1       6.946   1.515  -0.239  1.00  0.00           C  
HETATM    5  C   UNL     1       8.557  -0.213  -0.686  1.00  0.00           C  
HETATM    6  O   UNL     1       9.850  -0.601  -0.867  1.00  0.00           O  
HETATM    7  C   UNL     1      10.571  -1.015   0.295  1.00  0.00           C  
HETATM    8  C   UNL     1       7.532  -1.147  -0.770  1.00  0.00           C  
HETATM    9  O   UNL     1       7.819  -2.450  -1.033  1.00  0.00           O  
HETATM   10  C   UNL     1       6.716  -3.356  -1.105  1.00  0.00           C  
HETATM   11  C   UNL     1       6.217  -0.751  -0.586  1.00  0.00           C  
HETATM   12  C   UNL     1       5.923   0.581  -0.322  1.00  0.00           C  
HETATM   13  N   UNL     1       4.594   0.981  -0.142  1.00  0.00           N  
HETATM   14  C   UNL     1       3.687   0.122   0.456  1.00  0.00           C  
HETATM   15  N   UNL     1       2.410   0.470   0.515  1.00  0.00           N  
HETATM   16  N   UNL     1       4.117  -1.029   0.951  1.00  0.00           N  
HETATM   17  C   UNL     1       3.279  -1.877   1.530  1.00  0.00           C  
HETATM   18  C   UNL     1       1.940  -1.551   1.617  1.00  0.00           C  
HETATM   19  C   UNL     1       1.515  -0.332   1.082  1.00  0.00           C  
HETATM   20  N   UNL     1       0.180   0.034   1.142  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.033   1.347   0.520  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.309   0.016   2.526  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.816   0.282   2.539  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.095   1.644   1.898  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.532   1.653   0.474  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.234   0.605  -0.351  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.599  -0.298  -0.853  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.568   0.671  -0.531  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.251  -0.347  -1.333  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.726  -0.045  -1.378  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.567  -0.565  -0.413  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.237   0.756  -2.383  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.590   1.036  -2.427  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.436   0.515  -1.467  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.925  -0.286  -0.455  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.755  -0.796   0.493  1.00  0.00           O  
HETATM   37  C   UNL     1     -10.141  -0.468   0.387  1.00  0.00           C  
HETATM   38  F   UNL     1     -10.638  -0.931  -0.836  1.00  0.00           F  
HETATM   39  F   UNL     1     -10.845  -1.071   1.435  1.00  0.00           F  
HETATM   40  F   UNL     1     -10.298   0.920   0.458  1.00  0.00           F  
HETATM   41  H   UNL     1       8.229   3.745  -0.850  1.00  0.00           H  
HETATM   42  H   UNL     1       8.371   3.431   0.896  1.00  0.00           H  
HETATM   43  H   UNL     1       9.782   4.010  -0.023  1.00  0.00           H  
HETATM   44  H   UNL     1       6.717   2.550  -0.034  1.00  0.00           H  
HETATM   45  H   UNL     1      11.585  -1.298   0.011  1.00  0.00           H  
HETATM   46  H   UNL     1      10.610  -0.194   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1      10.069  -1.870   0.749  1.00  0.00           H  
HETATM   48  H   UNL     1       6.038  -3.040  -1.897  1.00  0.00           H  
HETATM   49  H   UNL     1       7.083  -4.359  -1.320  1.00  0.00           H  
HETATM   50  H   UNL     1       6.186  -3.359  -0.153  1.00  0.00           H  
HETATM   51  H   UNL     1       5.420  -1.477  -0.651  1.00  0.00           H  
HETATM   52  H   UNL     1       4.308   1.860  -0.436  1.00  0.00           H  
HETATM   53  H   UNL     1       3.640  -2.813   1.930  1.00  0.00           H  
HETATM   54  H   UNL     1       1.237  -2.224   2.084  1.00  0.00           H  
HETATM   55  H   UNL     1       0.476   2.113   1.105  1.00  0.00           H  
HETATM   56  H   UNL     1       0.367   1.339  -0.493  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.109  -0.960   2.970  1.00  0.00           H  
HETATM   58  H   UNL     1       0.201   0.788   3.102  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.328  -0.498   1.975  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.176   0.284   3.568  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.170   1.819   1.866  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.615   2.428   2.484  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.689   2.634   0.026  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.076   1.394  -0.130  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.848  -0.343  -2.346  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.094  -1.328  -0.884  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.168  -1.188   0.373  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.577   1.164  -3.134  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.987   1.662  -3.212  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.493   0.734  -1.501  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   12   12   44                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   45   46   47                                       
CONECT    8    5    9   11   11                                       
CONECT    9    8   10                                                 
CONECT   10    9   48   49   50                                       
CONECT   11    8    8   12   51                                       
CONECT   12    4    4   11   13                                       
CONECT   13   12   14   52                                            
CONECT   14   15   13   16   16                                       
CONECT   15   19   19   14                                            
CONECT   16   14   14   17                                            
CONECT   17   18   18   16   53                                       
CONECT   18   19   17   17   54                                       
CONECT   19   20   15   15   18                                       
CONECT   20   22   21   19                                            
CONECT   21   20   25   55   56                                       
CONECT   22   23   20   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   21   26   63                                       
CONECT   26   27   27   25   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   64                                            
CONECT   29   28   30   65   66                                       
CONECT   30   29   32   32   31                                       
CONECT   31   30   35   35   67                                       
CONECT   32   30   30   33   68                                       
CONECT   33   32   34   34   69                                       
CONECT   34   33   33   35   70                                       
CONECT   35   31   31   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   40   36   38   39                                       
CONECT   38   37                                                      
CONECT   39   37                                                      
CONECT   40   37                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
