COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       4.333   2.447  -1.785  1.00  0.00           F  
HETATM    2  C   UNL     1       3.484   1.798  -0.882  1.00  0.00           C  
HETATM    3  C   UNL     1       2.078   1.708  -1.479  1.00  0.00           C  
HETATM    4  C   UNL     1       1.500   3.093  -1.615  1.00  0.00           C  
HETATM    5  C   UNL     1       1.697   3.813  -2.779  1.00  0.00           C  
HETATM    6  C   UNL     1       1.168   5.083  -2.904  1.00  0.00           C  
HETATM    7  C   UNL     1       0.441   5.635  -1.866  1.00  0.00           C  
HETATM    8  C   UNL     1       0.244   4.915  -0.702  1.00  0.00           C  
HETATM    9  C   UNL     1       0.769   3.642  -0.579  1.00  0.00           C  
HETATM   10  C   UNL     1       4.016   0.380  -0.606  1.00  0.00           C  
HETATM   11  N   UNL     1       3.088  -0.317   0.279  1.00  0.00           N  
HETATM   12  C   UNL     1       2.694   0.274   1.502  1.00  0.00           C  
HETATM   13  C   UNL     1       3.511   1.155   2.214  1.00  0.00           C  
HETATM   14  O   UNL     1       4.657   1.394   1.867  1.00  0.00           O  
HETATM   15  N   UNL     1       3.020   1.728   3.338  1.00  0.00           N  
HETATM   16  C   UNL     1       4.146  -0.347  -1.938  1.00  0.00           C  
HETATM   17  C   UNL     1       4.346  -1.856  -1.754  1.00  0.00           C  
HETATM   18  C   UNL     1       4.378  -2.441  -3.173  1.00  0.00           C  
HETATM   19  C   UNL     1       5.688  -2.109  -1.069  1.00  0.00           C  
HETATM   20  C   UNL     1       3.223  -2.426  -0.938  1.00  0.00           C  
HETATM   21  C   UNL     1       2.560  -1.577  -0.052  1.00  0.00           C  
HETATM   22  C   UNL     1       2.849  -3.754  -0.957  1.00  0.00           C  
HETATM   23  C   UNL     1       3.688  -4.863  -1.544  1.00  0.00           C  
HETATM   24  C   UNL     1       1.678  -4.162  -0.333  1.00  0.00           C  
HETATM   25  C   UNL     1       1.225  -5.592  -0.483  1.00  0.00           C  
HETATM   26  C   UNL     1       0.931  -3.277   0.420  1.00  0.00           C  
HETATM   27  C   UNL     1       1.396  -1.988   0.601  1.00  0.00           C  
HETATM   28  N   UNL     1       0.743  -1.115   1.484  1.00  0.00           N  
HETATM   29  C   UNL     1       1.468  -0.078   2.053  1.00  0.00           C  
HETATM   30  N   UNL     1       1.008   0.569   3.129  1.00  0.00           N  
HETATM   31  C   UNL     1       1.759   1.448   3.754  1.00  0.00           C  
HETATM   32  O   UNL     1       1.263   2.086   4.835  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.661  -1.295   1.847  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.550  -0.635   0.791  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.336   0.778   0.804  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.018  -0.931   1.103  1.00  0.00           C  
HETATM   37  O   UNL     1      -3.233  -2.344   1.090  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.907  -0.271   0.047  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.693   1.142   0.060  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.375  -0.566   0.359  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.198  -0.049  -0.689  1.00  0.00           O  
HETATM   42  P   UNL     1      -7.803  -0.182  -0.690  1.00  0.00           P  
HETATM   43  O   UNL     1      -8.345   0.385   0.565  1.00  0.00           O  
HETATM   44  O   UNL     1      -8.407   0.622  -1.947  1.00  0.00           O  
HETATM   45  O   UNL     1      -8.213  -1.735  -0.799  1.00  0.00           O  
HETATM   46  H   UNL     1       3.448   2.361   0.051  1.00  0.00           H  
HETATM   47  H   UNL     1       2.129   1.237  -2.461  1.00  0.00           H  
HETATM   48  H   UNL     1       1.443   1.112  -0.823  1.00  0.00           H  
HETATM   49  H   UNL     1       2.266   3.382  -3.591  1.00  0.00           H  
HETATM   50  H   UNL     1       1.322   5.645  -3.813  1.00  0.00           H  
HETATM   51  H   UNL     1       0.028   6.628  -1.963  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.323   5.346   0.110  1.00  0.00           H  
HETATM   53  H   UNL     1       0.612   3.079   0.329  1.00  0.00           H  
HETATM   54  H   UNL     1       4.994   0.465  -0.127  1.00  0.00           H  
HETATM   55  H   UNL     1       3.574   2.340   3.848  1.00  0.00           H  
HETATM   56  H   UNL     1       3.240  -0.186  -2.533  1.00  0.00           H  
HETATM   57  H   UNL     1       4.997   0.054  -2.497  1.00  0.00           H  
HETATM   58  H   UNL     1       4.563  -3.514  -3.119  1.00  0.00           H  
HETATM   59  H   UNL     1       3.421  -2.261  -3.661  1.00  0.00           H  
HETATM   60  H   UNL     1       5.174  -1.964  -3.745  1.00  0.00           H  
HETATM   61  H   UNL     1       5.842  -3.182  -0.955  1.00  0.00           H  
HETATM   62  H   UNL     1       6.490  -1.689  -1.675  1.00  0.00           H  
HETATM   63  H   UNL     1       5.689  -1.635  -0.086  1.00  0.00           H  
HETATM   64  H   UNL     1       3.384  -5.041  -2.576  1.00  0.00           H  
HETATM   65  H   UNL     1       4.739  -4.576  -1.520  1.00  0.00           H  
HETATM   66  H   UNL     1       3.546  -5.773  -0.962  1.00  0.00           H  
HETATM   67  H   UNL     1       1.652  -6.195   0.319  1.00  0.00           H  
HETATM   68  H   UNL     1       0.137  -5.636  -0.430  1.00  0.00           H  
HETATM   69  H   UNL     1       1.558  -5.979  -1.446  1.00  0.00           H  
HETATM   70  H   UNL     1       0.002  -3.609   0.856  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.889  -2.360   1.900  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.848  -0.836   2.818  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.301  -1.031  -0.193  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.464   1.187   1.671  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.268  -0.534   2.087  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.031  -2.764   0.243  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.658  -0.667  -0.937  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.895   1.563   0.906  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.520  -1.644   0.437  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.649  -0.094   1.302  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.371   0.586  -2.011  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.890  -2.172  -1.599  1.00  0.00           H  
HETATM   83  H   UNL     1       0.359   1.829   5.064  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2   10    1    3   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    9    9    5                                       
CONECT    5    4    6    6   49                                       
CONECT    6    5    5    7   50                                       
CONECT    7    8    8    6   51                                       
CONECT    8    9    7    7   52                                       
CONECT    9    4    4    8   53                                       
CONECT   10   16   11    2   54                                       
CONECT   11   21   10   12                                            
CONECT   12   11   29   29   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   31   55                                            
CONECT   16   17   10   56   57                                       
CONECT   17   18   19   20   16                                       
CONECT   18   17   58   59   60                                       
CONECT   19   17   61   62   63                                       
CONECT   20   22   22   17   21                                       
CONECT   21   20   27   27   11                                       
CONECT   22   23   24   20   20                                       
CONECT   23   22   64   65   66                                       
CONECT   24   25   22   26   26                                       
CONECT   25   24   67   68   69                                       
CONECT   26   24   24   27   70                                       
CONECT   27   26   21   21   28                                       
CONECT   28   27   33   29                                            
CONECT   29   28   12   12   30                                       
CONECT   30   29   31   31                                            
CONECT   31   30   30   15   32                                       
CONECT   32   31   83                                                 
CONECT   33   28   34   71   72                                       
CONECT   34   35   33   36   73                                       
CONECT   35   34   74                                                 
CONECT   36   34   38   37   75                                       
CONECT   37   36   76                                                 
CONECT   38   36   39   40   77                                       
CONECT   39   38   78                                                 
CONECT   40   38   41   79   80                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   43   45                                       
CONECT   42   44                                                      
CONECT   43   42   42                                                 
CONECT   44   42   81                                                 
CONECT   45   42   82                                                 
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   32                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
