COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.024  -0.507  -1.431  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.534  -0.876  -0.185  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.682  -0.975   0.892  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.326  -0.712   0.749  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.810  -0.347  -0.476  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.663  -0.246  -1.568  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.449  -0.841   1.969  1.00  0.00           C  
HETATM    8  C   UNL     1       0.990  -1.113   1.542  1.00  0.00           C  
HETATM    9  C   UNL     1       1.456  -0.001   0.599  1.00  0.00           C  
HETATM   10  C   UNL     1       0.639  -0.049  -0.701  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.102   2.678  -0.652  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.459   2.830  -0.869  1.00  0.00           C  
HETATM   13  S   UNL     1       0.816   1.515  -1.603  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.180   3.746  -0.127  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.543   4.513   0.834  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.184   4.360   1.050  1.00  0.00           C  
HETATM   17  C   UNL     1       0.535   3.443   0.307  1.00  0.00           C  
HETATM   18  F   UNL     1      -2.246   5.410   1.560  1.00  0.00           F  
HETATM   19  O   UNL     1       2.156   1.983  -1.531  1.00  0.00           O  
HETATM   20  O   UNL     1       0.127   1.454  -2.845  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.005  -1.162  -0.020  1.00  0.00           C  
HETATM   22  N   UNL     1       2.842  -0.305   0.184  1.00  0.00           N  
HETATM   23  C   UNL     1       1.316  -1.204  -1.475  1.00  0.00           C  
HETATM   24  C   UNL     1       2.800  -1.062  -1.076  1.00  0.00           C  
HETATM   25  C   UNL     1       3.959   0.052   0.850  1.00  0.00           C  
HETATM   26  O   UNL     1       3.872   0.629   1.913  1.00  0.00           O  
HETATM   27  C   UNL     1       5.314  -0.266   0.273  1.00  0.00           C  
HETATM   28  C   UNL     1       5.662  -1.727   0.564  1.00  0.00           C  
HETATM   29  C   UNL     1       7.038  -2.050  -0.022  1.00  0.00           C  
HETATM   30  C   UNL     1       8.090  -1.139   0.615  1.00  0.00           C  
HETATM   31  C   UNL     1       7.742   0.322   0.324  1.00  0.00           C  
HETATM   32  C   UNL     1       6.365   0.645   0.909  1.00  0.00           C  
HETATM   33  C   UNL     1       9.445  -1.457   0.038  1.00  0.00           C  
HETATM   34  O   UNL     1       9.559  -2.323  -0.797  1.00  0.00           O  
HETATM   35  O   UNL     1      10.527  -0.777   0.451  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.202  -2.644   0.306  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.584  -2.939   1.526  1.00  0.00           F  
HETATM   38  F   UNL     1      -6.570  -2.922   0.398  1.00  0.00           F  
HETATM   39  F   UNL     1      -4.634  -3.424  -0.706  1.00  0.00           F  
HETATM   40  F   UNL     1      -4.960  -0.685   2.325  1.00  0.00           F  
HETATM   41  F   UNL     1      -5.300   1.041   0.867  1.00  0.00           F  
HETATM   42  F   UNL     1      -6.948  -0.504   1.212  1.00  0.00           F  
HETATM   43  C   UNL     1      -3.894  -0.405  -2.564  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.584  -0.324  -3.463  1.00  0.00           N  
HETATM   45  C   UNL     1      -5.565  -0.309   1.120  1.00  0.00           C  
HETATM   46  F   UNL     1      -5.676  -0.852  -1.207  1.00  0.00           F  
HETATM   47  H   UNL     1      -3.073  -1.259   1.858  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.267   0.039  -2.532  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.489   0.084   2.543  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.805  -1.666   2.586  1.00  0.00           H  
HETATM   51  H   UNL     1       1.633  -1.136   2.422  1.00  0.00           H  
HETATM   52  H   UNL     1       1.043  -2.072   1.028  1.00  0.00           H  
HETATM   53  H   UNL     1       1.394   0.975   1.081  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.956   2.232  -1.618  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.240   3.865  -0.297  1.00  0.00           H  
HETATM   56  H   UNL     1       0.315   4.958   1.799  1.00  0.00           H  
HETATM   57  H   UNL     1       1.595   3.324   0.476  1.00  0.00           H  
HETATM   58  H   UNL     1       0.919  -2.167  -1.151  1.00  0.00           H  
HETATM   59  H   UNL     1       1.191  -1.075  -2.550  1.00  0.00           H  
HETATM   60  H   UNL     1       3.342  -0.520  -1.851  1.00  0.00           H  
HETATM   61  H   UNL     1       3.242  -2.048  -0.933  1.00  0.00           H  
HETATM   62  H   UNL     1       5.297  -0.105  -0.805  1.00  0.00           H  
HETATM   63  H   UNL     1       5.679  -1.889   1.642  1.00  0.00           H  
HETATM   64  H   UNL     1       4.913  -2.377   0.111  1.00  0.00           H  
HETATM   65  H   UNL     1       7.286  -3.091   0.186  1.00  0.00           H  
HETATM   66  H   UNL     1       7.022  -1.888  -1.099  1.00  0.00           H  
HETATM   67  H   UNL     1       8.107  -1.300   1.692  1.00  0.00           H  
HETATM   68  H   UNL     1       8.491   0.972   0.777  1.00  0.00           H  
HETATM   69  H   UNL     1       7.725   0.484  -0.754  1.00  0.00           H  
HETATM   70  H   UNL     1       6.117   1.686   0.702  1.00  0.00           H  
HETATM   71  H   UNL     1       6.382   0.483   1.987  1.00  0.00           H  
HETATM   72  H   UNL     1      11.374  -1.016   0.052  1.00  0.00           H  
CONECT    1   43    6    6    2                                       
CONECT    2    1   21    3    3                                       
CONECT    3    2    2    4   47                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6   10    4    4                                       
CONECT    6    1    1    5   48                                       
CONECT    7    4    8   49   50                                       
CONECT    8    9    7   51   52                                       
CONECT    9   10   22    8   53                                       
CONECT   10   13   23    5    9                                       
CONECT   11   13   17   17   12                                       
CONECT   12   11   14   14   54                                       
CONECT   13   19   19   20   20                                       
CONECT   13   11   10                                                 
CONECT   14   12   12   15   55                                       
CONECT   15   16   16   14   18                                       
CONECT   16   17   15   15   56                                       
CONECT   17   11   11   16   57                                       
CONECT   18   15                                                      
CONECT   19   13   13                                                 
CONECT   20   13   13                                                 
CONECT   21   46   36    2   45                                       
CONECT   22   24   25    9                                            
CONECT   23   24   10   58   59                                       
CONECT   24   23   22   60   61                                       
CONECT   25   22   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   32   25   28   62                                       
CONECT   28   27   29   63   64                                       
CONECT   29   30   28   65   66                                       
CONECT   30   31   33   29   67                                       
CONECT   31   32   30   68   69                                       
CONECT   32   31   27   70   71                                       
CONECT   33   34   34   35   30                                       
CONECT   34   33   33                                                 
CONECT   35   33   72                                                 
CONECT   36   38   37   21   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   45                                                      
CONECT   41   45                                                      
CONECT   42   45                                                      
CONECT   43   44   44   44    1                                       
CONECT   44   43   43   43                                            
CONECT   45   21   41   40   42                                       
CONECT   46   21                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
