COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.762  -3.793  -0.533  1.00  0.00           C  
HETATM    2  N   UNL     1       5.505  -2.537  -0.359  1.00  0.00           N  
HETATM    3  C   UNL     1       6.905  -2.692  -0.774  1.00  0.00           C  
HETATM    4  C   UNL     1       4.858  -1.438  -1.088  1.00  0.00           C  
HETATM    5  C   UNL     1       5.742  -0.229  -1.031  1.00  0.00           C  
HETATM    6  O   UNL     1       6.784  -0.148  -1.872  1.00  0.00           O  
HETATM    7  C   UNL     1       5.523   0.798  -0.147  1.00  0.00           C  
HETATM    8  C   UNL     1       6.442   1.946  -0.116  1.00  0.00           C  
HETATM    9  N   UNL     1       6.340   2.917  -1.045  1.00  0.00           N  
HETATM   10  O   UNL     1       7.295   2.020   0.748  1.00  0.00           O  
HETATM   11  C   UNL     1       4.379   0.757   0.763  1.00  0.00           C  
HETATM   12  O   UNL     1       4.053   1.743   1.391  1.00  0.00           O  
HETATM   13  C   UNL     1       3.606  -0.541   0.906  1.00  0.00           C  
HETATM   14  O   UNL     1       4.266  -1.418   1.821  1.00  0.00           O  
HETATM   15  C   UNL     1       2.228  -0.198   1.405  1.00  0.00           C  
HETATM   16  O   UNL     1       2.076   0.048   2.721  1.00  0.00           O  
HETATM   17  C   UNL     1       1.148  -0.122   0.624  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.112   0.178   1.223  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.231   0.207   2.435  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.269   0.452   0.349  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.063   0.681  -1.026  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.113   0.916  -1.853  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.426   0.952  -1.344  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.523   1.181  -2.190  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.781   1.218  -1.669  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.999   1.032  -0.306  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.404   1.083   0.237  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.990  -0.264   0.206  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.762  -0.476  -1.033  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.825  -1.185  -0.182  1.00  0.00           C  
HETATM   31  F   UNL     1      -9.596  -2.554  -0.003  1.00  0.00           F  
HETATM   32  C   UNL     1      -9.267  -0.302   0.942  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.958   0.804   0.544  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.648   0.755   0.041  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.550   0.508   0.890  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.740   0.327   2.219  1.00  0.00           O  
HETATM   37  C   UNL     1       0.338   0.680  -1.585  1.00  0.00           C  
HETATM   38  C   UNL     1       1.188  -0.363  -0.862  1.00  0.00           C  
HETATM   39  C   UNL     1       2.630  -0.292  -1.372  1.00  0.00           C  
HETATM   40  C   UNL     1       3.494  -1.178  -0.478  1.00  0.00           C  
HETATM   41  H   UNL     1       5.291  -4.601  -0.026  1.00  0.00           H  
HETATM   42  H   UNL     1       3.765  -3.688  -0.105  1.00  0.00           H  
HETATM   43  H   UNL     1       4.680  -4.023  -1.595  1.00  0.00           H  
HETATM   44  H   UNL     1       6.949  -2.851  -1.852  1.00  0.00           H  
HETATM   45  H   UNL     1       7.462  -1.791  -0.516  1.00  0.00           H  
HETATM   46  H   UNL     1       7.343  -3.549  -0.263  1.00  0.00           H  
HETATM   47  H   UNL     1       4.728  -1.733  -2.130  1.00  0.00           H  
HETATM   48  H   UNL     1       7.295   0.673  -1.860  1.00  0.00           H  
HETATM   49  H   UNL     1       6.988   3.638  -1.067  1.00  0.00           H  
HETATM   50  H   UNL     1       5.617   2.895  -1.692  1.00  0.00           H  
HETATM   51  H   UNL     1       4.307  -1.083   2.727  1.00  0.00           H  
HETATM   52  H   UNL     1       2.369  -0.641   3.333  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.941   1.077  -2.907  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.371   1.327  -3.249  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.622   1.395  -2.322  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.384   1.447   1.264  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.005   1.755  -0.375  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.116   0.449  -1.487  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.266  -1.135  -1.746  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.851  -0.955  -0.467  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.199  -0.813   1.903  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.755   0.670   1.015  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.140   0.662   1.599  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.702   1.143   2.736  1.00  0.00           H  
HETATM   65  H   UNL     1       0.303   0.444  -2.648  1.00  0.00           H  
HETATM   66  H   UNL     1       0.782   1.666  -1.449  1.00  0.00           H  
HETATM   67  H   UNL     1       0.795  -1.357  -1.075  1.00  0.00           H  
HETATM   68  H   UNL     1       2.674  -0.651  -2.400  1.00  0.00           H  
HETATM   69  H   UNL     1       2.987   0.736  -1.324  1.00  0.00           H  
HETATM   70  H   UNL     1       2.993  -2.140  -0.369  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    4    1    3                                            
CONECT    3    2   44   45   46                                       
CONECT    4    5   40    2   47                                       
CONECT    5    7    7    6    4                                       
CONECT    6    5   48                                                 
CONECT    7    8   11    5    5                                       
CONECT    8    9   10   10    7                                       
CONECT    9    8   49   50                                            
CONECT   10    8    8                                                 
CONECT   11   12   12    7   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   15   14   40                                       
CONECT   14   13   51                                                 
CONECT   15   16   17   17   13                                       
CONECT   16   15   52                                                 
CONECT   17   18   15   15   38                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   35   35                                       
CONECT   21   37   22   22   20                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   34   34                                       
CONECT   24   23   25   25   54                                       
CONECT   25   24   24   26   55                                       
CONECT   26   25   33   33   27                                       
CONECT   27   26   28   56   57                                       
CONECT   28   27   32   29                                            
CONECT   29   28   30   58   59                                       
CONECT   30   32   29   31   60                                       
CONECT   31   30                                                      
CONECT   32   28   30   61   62                                       
CONECT   33   34   26   26   63                                       
CONECT   34   23   23   35   33                                       
CONECT   35   20   20   34   36                                       
CONECT   36   35   64                                                 
CONECT   37   21   38   65   66                                       
CONECT   38   37   17   39   67                                       
CONECT   39   38   40   68   69                                       
CONECT   40   13   39    4   70                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
