COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.144  -1.182   0.267  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.570  -0.664   1.617  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.464   0.386   1.703  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.065  -1.238   2.769  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.855   0.861   2.940  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.453  -0.760   4.006  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.352   0.286   4.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.778   0.805   5.442  1.00  0.00           C  
HETATM    9  F   UNL     1      -2.182   2.139   5.322  1.00  0.00           F  
HETATM   10  F   UNL     1      -0.703   0.721   6.334  1.00  0.00           F  
HETATM   11  P   UNL     1      -3.167  -0.196   6.067  1.00  0.00           P  
HETATM   12  O   UNL     1      -2.744  -1.750   6.080  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.446   0.003   5.110  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.506   0.234   7.441  1.00  0.00           O  
HETATM   15  C   UNL     1       1.200  -0.563  -0.115  1.00  0.00           C  
HETATM   16  C   UNL     1       1.702  -1.197  -1.414  1.00  0.00           C  
HETATM   17  C   UNL     1       0.760  -0.853  -2.538  1.00  0.00           C  
HETATM   18  C   UNL     1       1.023   0.232  -3.352  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.364  -1.626  -2.759  1.00  0.00           C  
HETATM   20  C   UNL     1       0.158   0.548  -4.384  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.230  -1.307  -3.788  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.968  -0.221  -4.601  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.911   0.123  -5.725  1.00  0.00           C  
HETATM   24  F   UNL     1      -3.224  -0.166  -5.338  1.00  0.00           F  
HETATM   25  F   UNL     1      -1.803   1.486  -6.023  1.00  0.00           F  
HETATM   26  P   UNL     1      -1.482  -0.856  -7.201  1.00  0.00           P  
HETATM   27  O   UNL     1       0.068  -0.624  -7.568  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.734  -2.418  -6.900  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.327  -0.431  -8.339  1.00  0.00           O  
HETATM   30  C   UNL     1       2.200  -0.812   0.984  1.00  0.00           C  
HETATM   31  C   UNL     1       2.619  -2.100   1.257  1.00  0.00           C  
HETATM   32  C   UNL     1       2.692   0.247   1.723  1.00  0.00           C  
HETATM   33  C   UNL     1       4.035  -1.266   3.004  1.00  0.00           C  
HETATM   34  C   UNL     1       3.542  -2.329   2.263  1.00  0.00           C  
HETATM   35  C   UNL     1       3.609   0.021   2.732  1.00  0.00           C  
HETATM   36  F   UNL     1       3.956  -3.587   2.527  1.00  0.00           F  
HETATM   37  F   UNL     1       4.931  -1.488   3.991  1.00  0.00           F  
HETATM   38  N   UNL     1       1.036   0.879  -0.308  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.134   1.625  -0.105  1.00  0.00           N  
HETATM   40  N   UNL     1       0.095   2.863  -0.373  1.00  0.00           N  
HETATM   41  C   UNL     1       1.376   3.029  -0.758  1.00  0.00           C  
HETATM   42  C   UNL     1       2.000   1.770  -0.718  1.00  0.00           C  
HETATM   43  C   UNL     1       2.120   4.149  -1.150  1.00  0.00           C  
HETATM   44  C   UNL     1       3.338   1.647  -1.076  1.00  0.00           C  
HETATM   45  C   UNL     1       3.433   4.009  -1.492  1.00  0.00           C  
HETATM   46  C   UNL     1       4.047   2.764  -1.458  1.00  0.00           C  
HETATM   47  H   UNL     1      -0.046  -2.267   0.310  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.893  -0.914  -0.477  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.858   0.835   0.803  1.00  0.00           H  
HETATM   50  H   UNL     1       0.633  -2.058   2.701  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.554   1.682   3.008  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.059  -1.208   4.906  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.505  -2.243   6.417  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.182  -0.288   4.226  1.00  0.00           H  
HETATM   55  H   UNL     1       2.697  -0.815  -1.644  1.00  0.00           H  
HETATM   56  H   UNL     1       1.747  -2.280  -1.296  1.00  0.00           H  
HETATM   57  H   UNL     1       1.903   0.834  -3.182  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.569  -2.475  -2.124  1.00  0.00           H  
HETATM   59  H   UNL     1       0.363   1.397  -5.019  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.111  -1.909  -3.958  1.00  0.00           H  
HETATM   61  H   UNL     1       0.253  -1.158  -8.352  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.226  -2.635  -6.106  1.00  0.00           H  
HETATM   63  H   UNL     1       2.234  -2.927   0.679  1.00  0.00           H  
HETATM   64  H   UNL     1       2.360   1.253   1.511  1.00  0.00           H  
HETATM   65  H   UNL     1       3.993   0.850   3.308  1.00  0.00           H  
HETATM   66  H   UNL     1       1.654   5.123  -1.181  1.00  0.00           H  
HETATM   67  H   UNL     1       3.820   0.681  -1.051  1.00  0.00           H  
HETATM   68  H   UNL     1       4.001   4.877  -1.794  1.00  0.00           H  
HETATM   69  H   UNL     1       5.087   2.671  -1.733  1.00  0.00           H  
CONECT    1    2   15   47   48                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    5   49                                       
CONECT    4    2    6    6   50                                       
CONECT    5    3    7    7   51                                       
CONECT    6    4    4    7   52                                       
CONECT    7    5    5    6    8                                       
CONECT    8    7    9   10   11                                       
CONECT    9    8                                                      
CONECT   10    8                                                      
CONECT   11    8   12   13   14                                       
CONECT   11   14                                                      
CONECT   12   11   53                                                 
CONECT   13   11   54                                                 
CONECT   14   11   11                                                 
CONECT   15    1   16   30   38                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17   20   57                                       
CONECT   19   17   21   21   58                                       
CONECT   20   18   22   22   59                                       
CONECT   21   19   19   22   60                                       
CONECT   22   20   20   21   23                                       
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23   27   28   29                                       
CONECT   26   29                                                      
CONECT   27   26   61                                                 
CONECT   28   26   62                                                 
CONECT   29   26   26                                                 
CONECT   30   15   31   31   32                                       
CONECT   31   30   30   34   63                                       
CONECT   32   30   35   35   64                                       
CONECT   33   34   34   35   37                                       
CONECT   34   31   33   33   36                                       
CONECT   35   32   32   33   65                                       
CONECT   36   34                                                      
CONECT   37   33                                                      
CONECT   38   15   39   42                                            
CONECT   39   38   40   40                                            
CONECT   40   39   39   41                                            
CONECT   41   40   42   42   43                                       
CONECT   42   38   41   41   44                                       
CONECT   43   41   45   45   66                                       
CONECT   44   42   46   46   67                                       
CONECT   45   43   43   46   68                                       
CONECT   46   44   44   45   69                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   43                                                      
CONECT   67   44                                                      
CONECT   68   45                                                      
CONECT   69   46                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
