COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.907   0.241   0.049  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.385  -1.036   0.270  1.00  0.00           C  
HETATM    3  C   UNL     1       2.011   0.867  -0.634  1.00  0.00           C  
HETATM    4  C   UNL     1       3.647   2.781   0.546  1.00  0.00           C  
HETATM    5  C   UNL     1       5.668   1.445  -0.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.949   2.526   1.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.253   3.347   0.879  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.173   2.379   0.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.622   0.235  -1.064  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.780  -2.079  -0.667  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.015  -1.178   0.375  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.242  -0.107   0.264  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.765   1.092   0.053  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.073   1.270  -0.054  1.00  0.00           N  
HETATM   15  N   UNL     1      -4.275   0.430  -0.069  1.00  0.00           N  
HETATM   16  N   UNL     1       0.077   2.186  -0.057  1.00  0.00           N  
HETATM   17  C   UNL     1       1.458   2.005  -0.054  1.00  0.00           C  
HETATM   18  C   UNL     1       3.375   0.683  -0.627  1.00  0.00           C  
HETATM   19  C   UNL     1       4.205   1.640  -0.037  1.00  0.00           C  
HETATM   20  C   UNL     1       2.282   2.962   0.531  1.00  0.00           C  
HETATM   21  O   UNL     1       6.409   2.408  -0.074  1.00  0.00           O  
HETATM   22  N   UNL     1       6.181   0.201   0.032  1.00  0.00           N  
HETATM   23  C   UNL     1       5.292  -0.951   0.203  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.811   1.773  -0.302  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.225   1.679  -0.901  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.066  -0.466  -0.002  1.00  0.00           N  
HETATM   27  O   UNL     1      -6.543  -0.297  -2.151  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.356  -1.896  -0.137  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.229  -2.573   1.229  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.295  -2.230   0.393  1.00  0.00           C  
HETATM   31  F   UNL     1      -4.032  -2.378  -0.787  1.00  0.00           F  
HETATM   32  F   UNL     1      -2.529  -3.380   0.610  1.00  0.00           F  
HETATM   33  F   UNL     1      -4.169  -2.042   1.468  1.00  0.00           F  
HETATM   34  C   UNL     1       7.629   0.000  -0.073  1.00  0.00           C  
HETATM   35  C   UNL     1       7.936  -0.888  -1.282  1.00  0.00           C  
HETATM   36  C   UNL     1       9.443  -1.144  -1.351  1.00  0.00           C  
HETATM   37  N   UNL     1       9.886  -1.800  -0.114  1.00  0.00           N  
HETATM   38  C   UNL     1       9.645  -0.946   1.056  1.00  0.00           C  
HETATM   39  C   UNL     1       8.144  -0.682   1.197  1.00  0.00           C  
HETATM   40  C   UNL     1      11.301  -2.186  -0.201  1.00  0.00           C  
HETATM   41  H   UNL     1       1.369   0.126  -1.086  1.00  0.00           H  
HETATM   42  H   UNL     1       4.286   3.524   1.000  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.098   3.189   1.192  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.038   1.821   1.864  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.682   3.583   1.853  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.070   4.256   0.306  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.623   1.650   0.769  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.945   2.934  -0.439  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.870  -1.597  -1.640  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.995  -3.143  -0.768  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.487  -1.629   0.029  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.579  -2.150   0.547  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.877  -0.327   0.002  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.295   3.078  -0.138  1.00  0.00           H  
HETATM   55  H   UNL     1       3.803  -0.200  -1.078  1.00  0.00           H  
HETATM   56  H   UNL     1       1.850   3.844   0.981  1.00  0.00           H  
HETATM   57  H   UNL     1       5.022  -1.349  -0.775  1.00  0.00           H  
HETATM   58  H   UNL     1       5.803  -1.722   0.780  1.00  0.00           H  
HETATM   59  H   UNL     1       4.391  -0.640   0.730  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.156   2.326  -0.975  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.256   2.187  -1.865  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.193  -0.024   0.852  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.648  -2.346  -0.833  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.937  -2.123   1.925  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.445  -3.637   1.128  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.215  -2.443   1.607  1.00  0.00           H  
HETATM   67  H   UNL     1       8.122   0.964  -0.194  1.00  0.00           H  
HETATM   68  H   UNL     1       7.410  -1.837  -1.179  1.00  0.00           H  
HETATM   69  H   UNL     1       7.609  -0.387  -2.193  1.00  0.00           H  
HETATM   70  H   UNL     1       9.663  -1.788  -2.202  1.00  0.00           H  
HETATM   71  H   UNL     1       9.967  -0.195  -1.467  1.00  0.00           H  
HETATM   72  H   UNL     1      10.012  -1.446   1.952  1.00  0.00           H  
HETATM   73  H   UNL     1      10.169   0.002   0.928  1.00  0.00           H  
HETATM   74  H   UNL     1       7.968  -0.036   2.057  1.00  0.00           H  
HETATM   75  H   UNL     1       7.620  -1.628   1.339  1.00  0.00           H  
HETATM   76  H   UNL     1      11.911  -1.297  -0.363  1.00  0.00           H  
HETATM   77  H   UNL     1      11.604  -2.669   0.728  1.00  0.00           H  
HETATM   78  H   UNL     1      11.439  -2.878  -1.032  1.00  0.00           H  
CONECT    1   15   14   14    2                                       
CONECT    2    1   30   11   11                                       
CONECT    3   18   17   17   41                                       
CONECT    4   19   20   20   42                                       
CONECT    5   21   21   22   19                                       
CONECT    6    7   24   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7   25   47   48                                       
CONECT    9   25   27   27   26                                       
CONECT   10   28   49   50   51                                       
CONECT   11    2    2   12   52                                       
CONECT   12   13   13   11                                            
CONECT   13   14   16   12   12                                       
CONECT   14    1    1   13                                            
CONECT   15   24    1   53                                            
CONECT   16   17   13   54                                            
CONECT   17    3    3   20   16                                       
CONECT   18   19   19    3   55                                       
CONECT   19    5   18   18    4                                       
CONECT   20    4    4   17   56                                       
CONECT   21    5    5                                                 
CONECT   22   34    5   23                                            
CONECT   23   22   57   58   59                                       
CONECT   24    6   25   15   60                                       
CONECT   25    8   24    9   61                                       
CONECT   26    9   28   62                                            
CONECT   27    9    9                                                 
CONECT   28   26   29   10   63                                       
CONECT   29   28   64   65   66                                       
CONECT   30   33    2   32   31                                       
CONECT   31   30                                                      
CONECT   32   30                                                      
CONECT   33   30                                                      
CONECT   34   35   39   22   67                                       
CONECT   35   36   34   68   69                                       
CONECT   36   37   35   70   71                                       
CONECT   37   40   36   38                                            
CONECT   38   37   39   72   73                                       
CONECT   39   38   34   74   75                                       
CONECT   40   37   76   77   78                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
