COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.761  -0.775   1.002  1.00  0.00           N  
HETATM    2  C   UNL     1       9.143  -0.071   1.209  1.00  0.00           C  
HETATM    3  N   UNL     1       7.825   0.103   0.768  1.00  0.00           N  
HETATM    4  C   UNL     1       9.393  -0.671   2.437  1.00  0.00           C  
HETATM    5  C   UNL     1       5.091   1.799  -0.920  1.00  0.00           C  
HETATM    6  C   UNL     1      10.203   0.350   0.418  1.00  0.00           C  
HETATM    7  C   UNL     1      11.502   0.176   0.855  1.00  0.00           C  
HETATM    8  C   UNL     1      11.747  -0.417   2.080  1.00  0.00           C  
HETATM    9  C   UNL     1      10.693  -0.842   2.868  1.00  0.00           C  
HETATM   10  C   UNL     1       2.879   2.327  -1.797  1.00  0.00           C  
HETATM   11  C   UNL     1       1.128   0.863  -2.823  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.132   0.303  -2.833  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.035   0.606  -1.813  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.655   1.474  -0.788  1.00  0.00           C  
HETATM   15  C   UNL     1       0.608   2.027  -0.790  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.388   0.010  -1.817  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.691  -2.606  -1.031  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.921  -3.888   0.970  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.872  -5.270   1.625  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.118  -6.241   0.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.460   3.368   1.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.514   2.865   1.910  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.681   1.497   2.041  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.737   1.133   0.684  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.888  -4.958  -1.288  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.839  -6.340  -0.633  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.598  -0.286  -0.835  1.00  0.00           C  
HETATM   28  F   UNL     1     -10.381   3.711   2.508  1.00  0.00           F  
HETATM   29  C   UNL     1      -8.795   0.631   1.430  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.572   2.506   0.554  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.838   0.257   0.065  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.541   0.602  -0.065  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.133   1.627   0.438  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.549  -1.668  -0.180  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.642  -3.987  -0.376  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.258   0.304  -0.831  1.00  0.00           N  
HETATM   37  O   UNL     1      -2.716  -0.746  -2.711  1.00  0.00           O  
HETATM   38  C   UNL     1       1.501   1.719  -1.801  1.00  0.00           C  
HETATM   39  N   UNL     1       3.795   1.455  -1.056  1.00  0.00           N  
HETATM   40  O   UNL     1       5.501   2.834  -1.413  1.00  0.00           O  
HETATM   41  C   UNL     1       6.008   0.927  -0.178  1.00  0.00           C  
HETATM   42  C   UNL     1       5.682  -0.300   0.448  1.00  0.00           C  
HETATM   43  C   UNL     1       7.365   1.148   0.045  1.00  0.00           C  
HETATM   44  N   UNL     1       8.102   2.231  -0.391  1.00  0.00           N  
HETATM   45  H   UNL     1       8.570  -1.003   3.053  1.00  0.00           H  
HETATM   46  H   UNL     1      10.012   0.813  -0.539  1.00  0.00           H  
HETATM   47  H   UNL     1      12.326   0.504   0.240  1.00  0.00           H  
HETATM   48  H   UNL     1      12.763  -0.552   2.420  1.00  0.00           H  
HETATM   49  H   UNL     1      10.888  -1.305   3.825  1.00  0.00           H  
HETATM   50  H   UNL     1       3.232   2.435  -2.822  1.00  0.00           H  
HETATM   51  H   UNL     1       2.843   3.306  -1.319  1.00  0.00           H  
HETATM   52  H   UNL     1       1.828   0.629  -3.612  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.420  -0.368  -3.629  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.349   1.713   0.004  1.00  0.00           H  
HETATM   55  H   UNL     1       0.905   2.696   0.005  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.125  -2.691  -2.028  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.681  -2.204  -1.108  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.457  -3.197   1.619  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.905  -3.525   0.812  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.358  -5.200   2.583  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.887  -5.634   1.783  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.103  -5.877   0.555  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.083  -7.225   1.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.334   4.436   1.061  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.503   1.107   2.622  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.873  -4.594  -1.446  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.402  -5.029  -2.247  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.303  -7.031  -1.283  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.855  -6.703  -0.475  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.949  -0.384  -1.863  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.925  -0.436   1.533  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.752   2.898  -0.030  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.148  -0.599  -0.271  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.560  -2.070  -0.103  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.115  -1.582   0.816  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.657  -4.351  -0.218  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.996   0.907  -0.117  1.00  0.00           H  
HETATM   78  H   UNL     1       3.468   0.631  -0.663  1.00  0.00           H  
HETATM   79  H   UNL     1       4.706  -0.763   0.463  1.00  0.00           H  
HETATM   80  H   UNL     1       9.047   2.291  -0.181  1.00  0.00           H  
HETATM   81  H   UNL     1       7.674   2.932  -0.907  1.00  0.00           H  
CONECT    1    3   42   42                                            
CONECT    2    4    4    6    3                                       
CONECT    3    2   43    1                                            
CONECT    4    9    2    2   45                                       
CONECT    5   41   40   40   39                                       
CONECT    6    7    7    2   46                                       
CONECT    7    8    6    6   47                                       
CONECT    8    9    9    7   48                                       
CONECT    9    8    8    4   49                                       
CONECT   10   39   38   50   51                                       
CONECT   11   38   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   14   14   12   16                                       
CONECT   14   15   13   13   54                                       
CONECT   15   38   38   14   55                                       
CONECT   16   13   37   37   36                                       
CONECT   17   35   34   56   57                                       
CONECT   18   35   19   58   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20   26   19   62   63                                       
CONECT   21   22   22   30   64                                       
CONECT   22   23   28   21   21                                       
CONECT   23   29   29   22   65                                       
CONECT   24   29   31   30   30                                       
CONECT   25   26   35   66   67                                       
CONECT   26   25   20   68   69                                       
CONECT   27   36   32   34   70                                       
CONECT   28   22                                                      
CONECT   29   23   23   24   71                                       
CONECT   30   24   24   21   72                                       
CONECT   31   24   32   73                                            
CONECT   32   31   27   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   27   17   74   75                                       
CONECT   35   25   17   18   76                                       
CONECT   36   16   27   77                                            
CONECT   37   16   16                                                 
CONECT   38   10   15   15   11                                       
CONECT   39    5   10   78                                            
CONECT   40    5    5                                                 
CONECT   41   43   43   42    5                                       
CONECT   42    1    1   41   79                                       
CONECT   43   44    3   41   41                                       
CONECT   44   43   80   81                                            
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
