COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.981   3.368   0.171  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.363  -1.457  -0.045  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.775  -2.808  -0.620  1.00  0.00           C  
HETATM    4  C   UNL     1       3.476   1.943  -0.464  1.00  0.00           C  
HETATM    5  C   UNL     1       3.639   0.878   0.314  1.00  0.00           C  
HETATM    6  C   UNL     1       5.500  -0.691  -0.166  1.00  0.00           C  
HETATM    7  C   UNL     1       7.148   1.087  -0.461  1.00  0.00           C  
HETATM    8  C   UNL     1       2.179  -0.936   1.362  1.00  0.00           C  
HETATM    9  O   UNL     1       2.732   3.252   1.325  1.00  0.00           O  
HETATM   10  C   UNL     1       2.986   3.195   0.137  1.00  0.00           C  
HETATM   11  N   UNL     1       2.822   4.285  -0.656  1.00  0.00           N  
HETATM   12  C   UNL     1       1.957   5.368  -0.135  1.00  0.00           C  
HETATM   13  C   UNL     1       0.544   5.058  -0.572  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.355   4.602   0.297  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.714   4.282  -0.183  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.079   4.583  -1.611  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.596   3.727   0.636  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.995   1.965  -0.443  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.218   0.910   0.639  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.161  -0.190   0.134  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.283  -1.542  -0.762  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.659  -3.508   0.129  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.635  -2.655   0.493  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.411   4.315  -0.808  1.00  0.00           O  
HETATM   25  C   UNL     1       3.992  -0.460  -0.283  1.00  0.00           C  
HETATM   26  C   UNL     1       6.230   0.326  -1.005  1.00  0.00           C  
HETATM   27  C   UNL     1       3.247  -1.566   0.466  1.00  0.00           C  
HETATM   28  C   UNL     1       2.855  -0.211   2.528  1.00  0.00           C  
HETATM   29  C   UNL     1       1.356   0.065   0.549  1.00  0.00           C  
HETATM   30  O   UNL     1       2.610  -2.483  -0.463  1.00  0.00           O  
HETATM   31  C   UNL     1       1.514  -3.113  -0.014  1.00  0.00           C  
HETATM   32  C   UNL     1       0.807  -4.165  -0.820  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.638  -4.096  -0.562  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.467  -3.215  -1.130  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.099  -2.704  -2.170  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.997  -5.128   0.408  1.00  0.00           C  
HETATM   37  C   UNL     1       0.197  -6.072   0.570  1.00  0.00           C  
HETATM   38  C   UNL     1       1.278  -5.565  -0.404  1.00  0.00           C  
HETATM   39  O   UNL     1       1.082  -2.824   1.076  1.00  0.00           O  
HETATM   40  F   UNL     1      -4.779   1.517   1.767  1.00  0.00           F  
HETATM   41  H   UNL     1      -4.664   3.395   1.021  1.00  0.00           H  
HETATM   42  H   UNL     1       3.689   1.919  -1.523  1.00  0.00           H  
HETATM   43  H   UNL     1       3.468   0.979   1.376  1.00  0.00           H  
HETATM   44  H   UNL     1       5.803  -0.587   0.876  1.00  0.00           H  
HETATM   45  H   UNL     1       5.742  -1.693  -0.517  1.00  0.00           H  
HETATM   46  H   UNL     1       7.671   1.815  -1.062  1.00  0.00           H  
HETATM   47  H   UNL     1       7.381   0.985   0.589  1.00  0.00           H  
HETATM   48  H   UNL     1       1.523  -1.715   1.750  1.00  0.00           H  
HETATM   49  H   UNL     1       3.251   4.351  -1.523  1.00  0.00           H  
HETATM   50  H   UNL     1       2.012   5.396   0.953  1.00  0.00           H  
HETATM   51  H   UNL     1       2.272   6.326  -0.549  1.00  0.00           H  
HETATM   52  H   UNL     1       0.244   5.186  -1.599  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.130   4.478   1.345  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.176   4.599  -2.221  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.755   3.813  -1.983  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.571   5.554  -1.664  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.299   3.553   1.665  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.798   1.902  -1.178  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.041   1.778  -0.934  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.260   0.466   0.910  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.594   0.108  -0.821  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.953  -0.356   0.863  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.593  -4.555   0.387  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.428   5.229  -0.491  1.00  0.00           H  
HETATM   65  H   UNL     1       3.703  -0.475  -1.334  1.00  0.00           H  
HETATM   66  H   UNL     1       5.997   0.428  -2.054  1.00  0.00           H  
HETATM   67  H   UNL     1       3.954  -2.118   1.085  1.00  0.00           H  
HETATM   68  H   UNL     1       2.734  -0.797   3.439  1.00  0.00           H  
HETATM   69  H   UNL     1       3.917  -0.089   2.314  1.00  0.00           H  
HETATM   70  H   UNL     1       2.397   0.769   2.662  1.00  0.00           H  
HETATM   71  H   UNL     1       1.930   0.386  -0.321  1.00  0.00           H  
HETATM   72  H   UNL     1       0.431  -0.408   0.219  1.00  0.00           H  
HETATM   73  H   UNL     1       1.121   0.931   1.168  1.00  0.00           H  
HETATM   74  H   UNL     1       0.975  -4.017  -1.890  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.232  -4.665   1.366  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.861  -5.687   0.048  1.00  0.00           H  
HETATM   77  H   UNL     1       0.567  -6.037   1.594  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.093  -7.091   0.311  1.00  0.00           H  
HETATM   79  H   UNL     1       1.342  -6.218  -1.274  1.00  0.00           H  
HETATM   80  H   UNL     1       2.244  -5.506   0.099  1.00  0.00           H  
CONECT    1   17   18   24   41                                       
CONECT    2   21   21   23   20                                       
CONECT    3   34   22   22   21                                       
CONECT    4    5    5   10   42                                       
CONECT    5   25    4    4   43                                       
CONECT    6   26   25   44   45                                       
CONECT    7   26   26   46   47                                       
CONECT    8   29   28   27   48                                       
CONECT    9   10   10                                                 
CONECT   10    4   11    9    9                                       
CONECT   11   10   12   49                                            
CONECT   12   11   13   50   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   16   14   17   17                                       
CONECT   16   15   54   55   56                                       
CONECT   17   15   15    1   57                                       
CONECT   18   19    1   58   59                                       
CONECT   19   40   20   18   60                                       
CONECT   20    2   19   61   62                                       
CONECT   21    3    2    2                                            
CONECT   22    3    3   23   63                                       
CONECT   23   22    2                                                 
CONECT   24    1   64                                                 
CONECT   25    6   27    5   65                                       
CONECT   26    7    7    6   66                                       
CONECT   27    8   25   30   67                                       
CONECT   28    8   68   69   70                                       
CONECT   29    8   71   72   73                                       
CONECT   30   27   31                                                 
CONECT   31   30   32   39   39                                       
CONECT   32   31   38   33   74                                       
CONECT   33   32   34   36                                            
CONECT   34   35   35   33    3                                       
CONECT   35   34   34                                                 
CONECT   36   37   33   75   76                                       
CONECT   37   38   36   77   78                                       
CONECT   38   32   37   79   80                                       
CONECT   39   31   31                                                 
CONECT   40   19                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
