COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.723   2.304   0.779  1.00  0.00           C  
HETATM    2  C   UNL     1       6.230   3.505   1.229  1.00  0.00           C  
HETATM    3  C   UNL     1       5.402   4.418   1.858  1.00  0.00           C  
HETATM    4  C   UNL     1       4.060   4.134   2.041  1.00  0.00           C  
HETATM    5  C   UNL     1       3.538   2.938   1.596  1.00  0.00           C  
HETATM    6  C   UNL     1       4.367   2.013   0.954  1.00  0.00           C  
HETATM    7  C   UNL     1       3.816   0.732   0.476  1.00  0.00           C  
HETATM    8  N   UNL     1       4.315  -0.507   0.749  1.00  0.00           N  
HETATM    9  C   UNL     1       5.495  -0.779   1.574  1.00  0.00           C  
HETATM   10  N   UNL     1       3.529  -1.479   0.123  1.00  0.00           N  
HETATM   11  C   UNL     1       3.743  -2.860   0.185  1.00  0.00           C  
HETATM   12  C   UNL     1       3.778  -3.612  -0.982  1.00  0.00           C  
HETATM   13  C   UNL     1       3.990  -4.975  -0.918  1.00  0.00           C  
HETATM   14  C   UNL     1       4.166  -5.591   0.307  1.00  0.00           C  
HETATM   15  C   UNL     1       4.132  -4.846   1.471  1.00  0.00           C  
HETATM   16  C   UNL     1       3.927  -3.481   1.413  1.00  0.00           C  
HETATM   17  C   UNL     1       2.531  -0.871  -0.548  1.00  0.00           C  
HETATM   18  O   UNL     1       1.662  -1.416  -1.204  1.00  0.00           O  
HETATM   19  C   UNL     1       2.687   0.573  -0.334  1.00  0.00           C  
HETATM   20  C   UNL     1       1.835   1.637  -0.868  1.00  0.00           C  
HETATM   21  O   UNL     1       2.142   2.804  -0.705  1.00  0.00           O  
HETATM   22  C   UNL     1       0.603   1.295  -1.605  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.522   0.822  -0.914  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.482   0.668   0.464  1.00  0.00           N  
HETATM   25  C   UNL     1       0.550   1.447  -2.993  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.601   1.128  -3.682  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.714   0.655  -3.009  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.964   0.311  -3.776  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.687   0.507  -1.625  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.881   0.000  -0.909  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.036  -1.380  -0.702  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.121  -1.872  -0.048  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.107  -0.998   0.432  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.192  -1.445   1.077  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.104  -0.596   1.512  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.212  -1.094   2.174  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.241  -0.178   2.670  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.000   0.720   1.340  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.969   1.254   0.719  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.963   0.400   0.231  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.835   0.892  -0.442  1.00  0.00           C  
HETATM   42  F   UNL     1      -3.683   2.220  -0.642  1.00  0.00           F  
HETATM   43  H   UNL     1       6.370   1.592   0.288  1.00  0.00           H  
HETATM   44  H   UNL     1       7.277   3.733   1.090  1.00  0.00           H  
HETATM   45  H   UNL     1       5.806   5.356   2.209  1.00  0.00           H  
HETATM   46  H   UNL     1       3.420   4.851   2.533  1.00  0.00           H  
HETATM   47  H   UNL     1       2.490   2.718   1.740  1.00  0.00           H  
HETATM   48  H   UNL     1       5.192  -0.887   2.616  1.00  0.00           H  
HETATM   49  H   UNL     1       5.970  -1.700   1.236  1.00  0.00           H  
HETATM   50  H   UNL     1       6.199   0.048   1.484  1.00  0.00           H  
HETATM   51  H   UNL     1       3.640  -3.131  -1.939  1.00  0.00           H  
HETATM   52  H   UNL     1       4.017  -5.560  -1.825  1.00  0.00           H  
HETATM   53  H   UNL     1       4.331  -6.658   0.355  1.00  0.00           H  
HETATM   54  H   UNL     1       4.270  -5.331   2.427  1.00  0.00           H  
HETATM   55  H   UNL     1       3.905  -2.899   2.323  1.00  0.00           H  
HETATM   56  H   UNL     1       0.295   0.965   0.963  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.231   0.263   0.929  1.00  0.00           H  
HETATM   58  H   UNL     1       1.413   1.815  -3.528  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.635   1.249  -4.754  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.928  -0.736  -4.079  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.836   0.475  -3.142  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.033   0.943  -4.661  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.281  -2.060  -1.069  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.224  -2.937   0.102  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.307  -2.050   2.310  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.797   0.516   3.384  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.663   0.382   1.835  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.030  -0.748   3.160  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.898   2.323   0.586  1.00  0.00           H  
CONECT    1    6    6    2   43                                       
CONECT    2    3    3    1   44                                       
CONECT    3    4    2    2   45                                       
CONECT    4    5    5    3   46                                       
CONECT    5    4    4    6   47                                       
CONECT    6    5    7    1    1                                       
CONECT    7   19   19    6    8                                       
CONECT    8    7   10    9                                            
CONECT    9    8   48   49   50                                       
CONECT   10   17    8   11                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   16   16   14   54                                       
CONECT   16   11   15   15   55                                       
CONECT   17   18   18   19   10                                       
CONECT   18   17   17                                                 
CONECT   19   20   17    7    7                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   23   25   20                                       
CONECT   23   29   24   22   22                                       
CONECT   24   23   56   57                                            
CONECT   25   26   26   22   58                                       
CONECT   26   27   25   25   59                                       
CONECT   27   28   29   29   26                                       
CONECT   28   27   60   61   62                                       
CONECT   29   30   27   27   23                                       
CONECT   30   41   41   31   29                                       
CONECT   31   32   32   30   63                                       
CONECT   32   33   31   31   64                                       
CONECT   33   34   34   40   32                                       
CONECT   34   35   33   33                                            
CONECT   35   36   38   38   34                                       
CONECT   36   37   35   65                                            
CONECT   37   36   66   67   68                                       
CONECT   38   35   35   39                                            
CONECT   39   38   40   40   69                                       
CONECT   40   39   39   33   41                                       
CONECT   41   40   42   30   30                                       
CONECT   42   41                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
