COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  F   UNL     1       5.915  -2.549  -2.026  1.00  0.00           F  
HETATM    2  C   UNL     1       6.973  -1.692  -1.704  1.00  0.00           C  
HETATM    3  C   UNL     1       6.807  -0.371  -2.459  1.00  0.00           C  
HETATM    4  C   UNL     1       5.474   0.273  -2.069  1.00  0.00           C  
HETATM    5  C   UNL     1       5.445   0.516  -0.565  1.00  0.00           C  
HETATM    6  C   UNL     1       6.524   1.541  -0.167  1.00  0.00           C  
HETATM    7  N   UNL     1       5.860   2.302   0.915  1.00  0.00           N  
HETATM    8  C   UNL     1       4.475   2.231   0.706  1.00  0.00           C  
HETATM    9  C   UNL     1       4.155   1.189  -0.158  1.00  0.00           C  
HETATM   10  C   UNL     1       2.840   0.937  -0.491  1.00  0.00           C  
HETATM   11  C   UNL     1       1.828   1.724   0.028  1.00  0.00           C  
HETATM   12  C   UNL     1       2.135   2.766   0.883  1.00  0.00           C  
HETATM   13  C   UNL     1       3.449   3.022   1.223  1.00  0.00           C  
HETATM   14  F   UNL     1       3.742   4.042   2.060  1.00  0.00           F  
HETATM   15  C   UNL     1       0.393   1.446  -0.338  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.208   0.460   0.665  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.694   0.280   0.370  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.375  -0.496   1.495  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.912  -1.954   1.480  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.129  -2.012   1.822  1.00  0.00           S  
HETATM   21  C   UNL     1       0.513  -0.885   0.549  1.00  0.00           C  
HETATM   22  O   UNL     1       0.108  -1.438   3.101  1.00  0.00           O  
HETATM   23  O   UNL     1       0.344  -3.324   1.551  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.832  -0.447   1.308  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.225  -1.115   0.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.722  -1.044  -0.098  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.298   0.024  -0.759  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.672   0.088  -0.903  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.468  -0.916  -0.386  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.892  -1.985   0.275  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.518  -2.052   0.414  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.300   1.253  -1.623  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.943   2.553  -0.899  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.775   1.309  -3.059  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.820   1.081  -1.642  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.308   1.564   0.245  1.00  0.00           O  
HETATM   37  C   UNL     1       5.640  -0.784   0.203  1.00  0.00           C  
HETATM   38  C   UNL     1       6.972  -1.423  -0.198  1.00  0.00           C  
HETATM   39  F   UNL     1       8.184  -2.289  -2.070  1.00  0.00           F  
HETATM   40  H   UNL     1       7.625   0.300  -2.201  1.00  0.00           H  
HETATM   41  H   UNL     1       6.818  -0.563  -3.532  1.00  0.00           H  
HETATM   42  H   UNL     1       5.364   1.223  -2.592  1.00  0.00           H  
HETATM   43  H   UNL     1       4.655  -0.390  -2.345  1.00  0.00           H  
HETATM   44  H   UNL     1       7.417   1.038   0.205  1.00  0.00           H  
HETATM   45  H   UNL     1       6.767   2.193  -1.006  1.00  0.00           H  
HETATM   46  H   UNL     1       6.108   1.934   1.821  1.00  0.00           H  
HETATM   47  H   UNL     1       2.600   0.124  -1.160  1.00  0.00           H  
HETATM   48  H   UNL     1       1.345   3.382   1.287  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.174   2.377  -0.317  1.00  0.00           H  
HETATM   50  H   UNL     1       0.350   1.017  -1.339  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.084   0.851   1.675  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.811  -0.268  -0.565  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.118  -0.044   2.453  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.449  -2.515   2.245  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.109  -2.390   0.500  1.00  0.00           H  
HETATM   56  H   UNL     1       0.336  -1.310  -0.439  1.00  0.00           H  
HETATM   57  H   UNL     1       1.583  -0.740   0.699  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.311  -0.849   2.099  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.747  -0.617  -0.785  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.911  -2.158   0.091  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.675   0.809  -1.162  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.541  -0.865  -0.498  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.515  -2.769   0.680  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.068  -2.889   0.927  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.860   2.676  -0.885  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.398   3.396  -1.420  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.317   2.514   0.124  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.029   0.383  -3.575  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.229   2.151  -3.580  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.692   1.431  -3.045  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.194   1.042  -0.619  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.275   1.924  -2.163  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.074   0.155  -2.158  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.234   1.531  -0.034  1.00  0.00           H  
HETATM   75  H   UNL     1       5.645  -0.576   1.273  1.00  0.00           H  
HETATM   76  H   UNL     1       4.824  -1.469  -0.029  1.00  0.00           H  
HETATM   77  H   UNL     1       7.100  -2.363   0.339  1.00  0.00           H  
HETATM   78  H   UNL     1       7.789  -0.747   0.052  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1   39    3   38                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4   37    9    6                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6    8   46                                            
CONECT    8    9    7   13   13                                       
CONECT    9    5   10   10    8                                       
CONECT   10    9    9   11   47                                       
CONECT   11   10   15   12   12                                       
CONECT   12   11   11   13   48                                       
CONECT   13    8    8   12   14                                       
CONECT   14   13                                                      
CONECT   15   11   16   49   50                                       
CONECT   16   15   21   17   51                                       
CONECT   17   36   16   18   52                                       
CONECT   18   17   19   24   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   21   19   23   23                                       
CONECT   20   22   22                                                 
CONECT   21   16   20   56   57                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24   18   25   58                                            
CONECT   25   24   26   59   60                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   61                                       
CONECT   28   27   32   29   29                                       
CONECT   29   28   28   30   62                                       
CONECT   30   31   31   29   63                                       
CONECT   31   26   30   30   64                                       
CONECT   32   35   28   33   34                                       
CONECT   33   32   65   66   67                                       
CONECT   34   32   68   69   70                                       
CONECT   35   32   71   72   73                                       
CONECT   36   17   74                                                 
CONECT   37   38    5   75   76                                       
CONECT   38    2   37   77   78                                       
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
