COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.006   0.201  -0.777  1.00  0.00           C  
HETATM    2  C   UNL     1       4.527  -0.144  -0.456  1.00  0.00           C  
HETATM    3  C   UNL     1       4.431  -1.637  -0.833  1.00  0.00           C  
HETATM    4  C   UNL     1       6.723  -1.116  -0.388  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.137  -1.757   0.880  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.751  -0.353  -0.194  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.104  -2.189   1.793  1.00  0.00           C  
HETATM    8  C   UNL     1       6.137  -3.458  -1.081  1.00  0.00           C  
HETATM    9  C   UNL     1       7.590  -3.855  -1.120  1.00  0.00           C  
HETATM   10  C   UNL     1       8.096  -4.795  -0.024  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.738  -3.183   2.864  1.00  0.00           C  
HETATM   12  C   UNL     1       7.571   2.011  -0.321  1.00  0.00           C  
HETATM   13  C   UNL     1       9.590   4.957   0.590  1.00  0.00           C  
HETATM   14  C   UNL     1       8.182   5.574   0.658  1.00  0.00           C  
HETATM   15  C   UNL     1       7.221   4.435   0.245  1.00  0.00           C  
HETATM   16  N   UNL     1       6.476   1.317   0.046  1.00  0.00           N  
HETATM   17  N   UNL     1       5.794  -2.186  -0.794  1.00  0.00           N  
HETATM   18  C   UNL     1       3.545  -2.372   0.175  1.00  0.00           C  
HETATM   19  N   UNL     1       2.177  -1.852   0.094  1.00  0.00           N  
HETATM   20  C   UNL     1       1.241  -2.280   0.963  1.00  0.00           C  
HETATM   21  O   UNL     1       1.530  -3.098   1.815  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.476  -0.834  -0.114  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.720  -0.785   0.719  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.381  -1.709   1.713  1.00  0.00           C  
HETATM   25  O   UNL     1       5.277  -4.282  -1.307  1.00  0.00           O  
HETATM   26  C   UNL     1       7.915  -5.313  -1.452  1.00  0.00           C  
HETATM   27  O   UNL     1       8.169   1.711  -1.332  1.00  0.00           O  
HETATM   28  C   UNL     1       8.054   3.160   0.526  1.00  0.00           C  
HETATM   29  N   UNL     1       9.430   3.559   0.133  1.00  0.00           N  
HETATM   30  F   UNL     1       8.077   6.646  -0.235  1.00  0.00           F  
HETATM   31  C   UNL     1      -4.058  -0.282   0.635  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.155   0.130   0.566  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.493   0.634   0.483  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.837   1.552  -0.513  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.128   2.033  -0.587  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.081   1.608   0.321  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.748   0.699   1.310  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.463   0.204   1.393  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.489   2.138   0.233  1.00  0.00           C  
HETATM   40  N   UNL     1     -11.287   1.267  -0.640  1.00  0.00           N  
HETATM   41  C   UNL     1     -11.458  -0.065  -0.042  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.242  -0.956  -1.009  1.00  0.00           C  
HETATM   43  O   UNL     1     -13.493  -0.335  -1.314  1.00  0.00           O  
HETATM   44  C   UNL     1     -13.363   0.964  -1.899  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.591   1.875  -0.941  1.00  0.00           C  
HETATM   46  H   UNL     1       6.135   0.417  -1.837  1.00  0.00           H  
HETATM   47  H   UNL     1       4.319   0.001   0.604  1.00  0.00           H  
HETATM   48  H   UNL     1       3.851   0.453  -1.068  1.00  0.00           H  
HETATM   49  H   UNL     1       4.015  -1.740  -1.835  1.00  0.00           H  
HETATM   50  H   UNL     1       7.666  -1.208  -0.927  1.00  0.00           H  
HETATM   51  H   UNL     1       6.895  -1.151   0.688  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.013   0.359  -0.962  1.00  0.00           H  
HETATM   53  H   UNL     1       8.277  -3.091  -1.485  1.00  0.00           H  
HETATM   54  H   UNL     1       9.115  -4.649   0.333  1.00  0.00           H  
HETATM   55  H   UNL     1       7.377  -5.125   0.727  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.281  -2.660   3.704  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.637  -3.699   3.203  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.033  -3.909   2.460  1.00  0.00           H  
HETATM   59  H   UNL     1      10.205   5.511  -0.120  1.00  0.00           H  
HETATM   60  H   UNL     1      10.053   4.977   1.577  1.00  0.00           H  
HETATM   61  H   UNL     1       7.963   5.906   1.673  1.00  0.00           H  
HETATM   62  H   UNL     1       6.319   4.450   0.857  1.00  0.00           H  
HETATM   63  H   UNL     1       6.969   4.509  -0.813  1.00  0.00           H  
HETATM   64  H   UNL     1       5.998   1.558   0.855  1.00  0.00           H  
HETATM   65  H   UNL     1       3.543  -3.438  -0.052  1.00  0.00           H  
HETATM   66  H   UNL     1       3.933  -2.216   1.182  1.00  0.00           H  
HETATM   67  H   UNL     1       1.946  -1.200  -0.586  1.00  0.00           H  
HETATM   68  H   UNL     1       0.272  -0.501  -0.819  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.128  -2.043   2.418  1.00  0.00           H  
HETATM   70  H   UNL     1       7.077  -5.985  -1.641  1.00  0.00           H  
HETATM   71  H   UNL     1       8.815  -5.509  -2.034  1.00  0.00           H  
HETATM   72  H   UNL     1       8.014   2.900   1.584  1.00  0.00           H  
HETATM   73  H   UNL     1      10.118   2.958   0.562  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.094   1.886  -1.222  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.395   2.743  -1.356  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.497   0.372   2.016  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.206  -0.509   2.162  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.932   2.158   1.229  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.472   3.147  -0.177  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.480  -0.507   0.149  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.007   0.025   0.896  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.668  -1.090  -1.926  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.421  -1.927  -0.546  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.823   0.886  -2.843  1.00  0.00           H  
HETATM   85  H   UNL     1     -14.354   1.382  -2.081  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.158   1.996  -0.018  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.440   2.848  -1.407  1.00  0.00           H  
CONECT    1   16    4    2   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2   17   18   49                                       
CONECT    4    1   17   50   51                                       
CONECT    5   20    7    7   22                                       
CONECT    6   22   22   23   52                                       
CONECT    7   11    5    5   24                                       
CONECT    8   17   25   25    9                                       
CONECT    9    8   26   10   53                                       
CONECT   10    9   26   54   55                                       
CONECT   11    7   56   57   58                                       
CONECT   12   28   27   27   16                                       
CONECT   13   29   14   59   60                                       
CONECT   14   13   15   30   61                                       
CONECT   15   28   14   62   63                                       
CONECT   16   12    1   64                                            
CONECT   17    4    3    8                                            
CONECT   18    3   19   65   66                                       
CONECT   19   18   20   67                                            
CONECT   20   21   21   19    5                                       
CONECT   21   20   20                                                 
CONECT   22    5    6    6   68                                       
CONECT   23   24   24    6   31                                       
CONECT   24    7   23   23   69                                       
CONECT   25    8    8                                                 
CONECT   26    9   10   70   71                                       
CONECT   27   12   12                                                 
CONECT   28   29   12   15   72                                       
CONECT   29   28   13   73                                            
CONECT   30   14                                                      
CONECT   31   23   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   74                                       
CONECT   35   34   36   36   75                                       
CONECT   36   35   35   37   39                                       
CONECT   37   38   38   36   76                                       
CONECT   38   33   37   37   77                                       
CONECT   39   36   40   78   79                                       
CONECT   40   41   39   45                                            
CONECT   41   42   40   80   81                                       
CONECT   42   41   43   82   83                                       
CONECT   43   42   44                                                 
CONECT   44   43   45   84   85                                       
CONECT   45   40   44   86   87                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
