COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.621   3.222  -0.821  1.00  0.00           C  
HETATM    2  C   UNL     1       1.449   2.194  -1.944  1.00  0.00           C  
HETATM    3  C   UNL     1       2.111   0.878  -1.529  1.00  0.00           C  
HETATM    4  C   UNL     1       1.012   2.665   0.468  1.00  0.00           C  
HETATM    5  C   UNL     1       1.686   1.335   0.812  1.00  0.00           C  
HETATM    6  C   UNL     1       0.911   4.522  -1.205  1.00  0.00           C  
HETATM    7  C   UNL     1       3.111   3.498  -0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       6.159   0.925  -0.637  1.00  0.00           C  
HETATM    9  C   UNL     1       5.349   1.461  -1.819  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.265  -1.885  -0.445  1.00  0.00           C  
HETATM   11  C   UNL     1       4.450   0.492   1.993  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.494  -0.813  -1.357  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.684  -2.450  -1.649  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.087  -0.835  -0.756  1.00  0.00           C  
HETATM   15  C   UNL     1       1.151  -2.007  -0.020  1.00  0.00           C  
HETATM   16  C   UNL     1       1.684  -3.246   0.318  1.00  0.00           C  
HETATM   17  N   UNL     1       2.942  -3.356   0.696  1.00  0.00           N  
HETATM   18  C   UNL     1       3.745  -2.310   0.771  1.00  0.00           C  
HETATM   19  C   UNL     1       3.299  -1.044   0.453  1.00  0.00           C  
HETATM   20  C   UNL     1       1.979  -0.873   0.042  1.00  0.00           C  
HETATM   21  N   UNL     1       1.492   0.386  -0.292  1.00  0.00           N  
HETATM   22  C   UNL     1       4.229   0.138   0.545  1.00  0.00           C  
HETATM   23  C   UNL     1       5.173  -2.503   1.211  1.00  0.00           C  
HETATM   24  C   UNL     1       0.815  -4.475   0.251  1.00  0.00           C  
HETATM   25  O   UNL     1       3.427   0.934   2.740  1.00  0.00           O  
HETATM   26  O   UNL     1       5.480  -0.192  -0.062  1.00  0.00           O  
HETATM   27  O   UNL     1       5.549   0.377   2.481  1.00  0.00           O  
HETATM   28  C   UNL     1       7.542   0.486  -1.124  1.00  0.00           C  
HETATM   29  C   UNL     1       6.315   2.025   0.415  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.001  -2.335  -2.041  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.909  -1.657  -1.239  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.495  -1.093  -0.040  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.178  -1.200   0.355  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.206  -1.545  -1.629  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.422  -0.064  -0.437  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.589   1.301  -0.584  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.440   1.988   0.259  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.127   1.311   1.252  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.959  -0.056   1.399  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.111  -0.743   0.551  1.00  0.00           C  
HETATM   41  F   UNL     1      -9.959   1.982   2.078  1.00  0.00           F  
HETATM   42  H   UNL     1       0.387   2.027  -2.124  1.00  0.00           H  
HETATM   43  H   UNL     1       1.919   2.567  -2.854  1.00  0.00           H  
HETATM   44  H   UNL     1       1.977   0.140  -2.320  1.00  0.00           H  
HETATM   45  H   UNL     1       3.175   1.043  -1.362  1.00  0.00           H  
HETATM   46  H   UNL     1       1.169   3.374   1.281  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.057   2.505   0.326  1.00  0.00           H  
HETATM   48  H   UNL     1       2.752   1.498   0.968  1.00  0.00           H  
HETATM   49  H   UNL     1       1.244   0.929   1.722  1.00  0.00           H  
HETATM   50  H   UNL     1       1.344   4.915  -2.124  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.150   4.324  -1.358  1.00  0.00           H  
HETATM   52  H   UNL     1       1.032   5.252  -0.404  1.00  0.00           H  
HETATM   53  H   UNL     1       3.559   3.826  -1.543  1.00  0.00           H  
HETATM   54  H   UNL     1       3.230   4.277   0.147  1.00  0.00           H  
HETATM   55  H   UNL     1       3.604   2.587  -0.266  1.00  0.00           H  
HETATM   56  H   UNL     1       5.945   2.192  -2.366  1.00  0.00           H  
HETATM   57  H   UNL     1       5.086   0.637  -2.483  1.00  0.00           H  
HETATM   58  H   UNL     1       4.440   1.936  -1.451  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.466  -0.318  -2.328  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.851  -1.835  -1.481  1.00  0.00           H  
HETATM   61  H   UNL     1       0.022  -2.977  -2.273  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.729   0.188  -0.632  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.114  -1.330   0.215  1.00  0.00           H  
HETATM   64  H   UNL     1       3.787   0.989   0.026  1.00  0.00           H  
HETATM   65  H   UNL     1       5.799  -2.696   0.340  1.00  0.00           H  
HETATM   66  H   UNL     1       5.522  -1.603   1.717  1.00  0.00           H  
HETATM   67  H   UNL     1       5.232  -3.350   1.895  1.00  0.00           H  
HETATM   68  H   UNL     1       0.886  -4.917  -0.742  1.00  0.00           H  
HETATM   69  H   UNL     1       1.150  -5.198   0.996  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.220  -4.199   0.453  1.00  0.00           H  
HETATM   71  H   UNL     1       3.617   1.149   3.663  1.00  0.00           H  
HETATM   72  H   UNL     1       8.119   0.104  -0.282  1.00  0.00           H  
HETATM   73  H   UNL     1       7.431  -0.298  -1.874  1.00  0.00           H  
HETATM   74  H   UNL     1       8.060   1.338  -1.564  1.00  0.00           H  
HETATM   75  H   UNL     1       6.892   1.643   1.257  1.00  0.00           H  
HETATM   76  H   UNL     1       6.834   2.877  -0.024  1.00  0.00           H  
HETATM   77  H   UNL     1       5.330   2.338   0.762  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.326  -2.772  -2.973  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.204  -0.566   0.581  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.856  -0.761   1.288  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.053   1.829  -1.359  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.570   3.055   0.144  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.494  -0.586   2.174  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.980  -1.809   0.666  1.00  0.00           H  
CONECT    1    4    6    7    2                                       
CONECT    2    1    3   42   43                                       
CONECT    3   21    2   44   45                                       
CONECT    4    5    1   46   47                                       
CONECT    5    4   21   48   49                                       
CONECT    6    1   50   51   52                                       
CONECT    7    1   53   54   55                                       
CONECT    8    9   28   29   26                                       
CONECT    9    8   56   57   58                                       
CONECT   10   33   15   13   13                                       
CONECT   11   22   25   27   27                                       
CONECT   12   35   14   59   60                                       
CONECT   13   10   10   30   61                                       
CONECT   14   34   12   62   63                                       
CONECT   15   16   10   20   20                                       
CONECT   16   24   17   17   15                                       
CONECT   17   16   16   18                                            
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   20   22                                       
CONECT   20   15   15   19   21                                       
CONECT   21    5   20    3                                            
CONECT   22   26   19   11   64                                       
CONECT   23   18   65   66   67                                       
CONECT   24   16   68   69   70                                       
CONECT   25   11   71                                                 
CONECT   26    8   22                                                 
CONECT   27   11   11                                                 
CONECT   28    8   72   73   74                                       
CONECT   29    8   75   76   77                                       
CONECT   30   31   31   13   78                                       
CONECT   31   32   34   30   30                                       
CONECT   32   33   33   31   79                                       
CONECT   33   32   32   10   80                                       
CONECT   34   31   14                                                 
CONECT   35   40   40   36   12                                       
CONECT   36   37   37   35   81                                       
CONECT   37   38   36   36   82                                       
CONECT   38   41   39   39   37                                       
CONECT   39   38   38   40   83                                       
CONECT   40   39   35   35   84                                       
CONECT   41   38                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
