COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -7.820   0.665   2.127  1.00  0.00           F  
HETATM    2  C   UNL     1      -6.543   1.085   1.995  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.148   2.287   2.559  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.841   2.723   2.427  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.923   1.963   1.732  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.631   0.312   1.301  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.060  -0.998   0.692  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.314   0.751   1.161  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.334  -0.068   0.415  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.687  -1.100  -0.120  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.049   0.330   0.330  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.078  -0.481  -0.409  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.137  -0.119  -1.894  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.483  -0.501  -2.453  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.525   0.407  -2.428  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.760   0.055  -2.940  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.953  -1.204  -3.477  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.911  -2.111  -3.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.674  -1.758  -2.995  1.00  0.00           C  
HETATM   20  C   UNL     1       0.328  -0.208   0.128  1.00  0.00           C  
HETATM   21  O   UNL     1       0.686   1.149  -0.142  1.00  0.00           O  
HETATM   22  C   UNL     1       1.326  -1.144  -0.557  1.00  0.00           C  
HETATM   23  N   UNL     1       2.663  -0.924   0.001  1.00  0.00           N  
HETATM   24  C   UNL     1       2.934  -1.248   1.403  1.00  0.00           C  
HETATM   25  C   UNL     1       3.206  -2.724   1.535  1.00  0.00           C  
HETATM   26  C   UNL     1       4.415  -3.287   1.537  1.00  0.00           C  
HETATM   27  C   UNL     1       4.418  -4.664   1.671  1.00  0.00           C  
HETATM   28  C   UNL     1       3.211  -5.221   1.778  1.00  0.00           C  
HETATM   29  S   UNL     1       1.977  -3.969   1.717  1.00  0.00           S  
HETATM   30  S   UNL     1       3.868  -0.310  -0.955  1.00  0.00           S  
HETATM   31  O   UNL     1       5.095  -0.718  -0.366  1.00  0.00           O  
HETATM   32  O   UNL     1       3.510  -0.615  -2.296  1.00  0.00           O  
HETATM   33  C   UNL     1       3.805   1.445  -0.811  1.00  0.00           C  
HETATM   34  C   UNL     1       4.538   2.083   0.170  1.00  0.00           C  
HETATM   35  C   UNL     1       4.488   3.465   0.283  1.00  0.00           C  
HETATM   36  O   UNL     1       5.210   4.095   1.247  1.00  0.00           O  
HETATM   37  C   UNL     1       5.110   5.520   1.305  1.00  0.00           C  
HETATM   38  C   UNL     1       3.701   4.202  -0.589  1.00  0.00           C  
HETATM   39  C   UNL     1       2.969   3.559  -1.569  1.00  0.00           C  
HETATM   40  C   UNL     1       3.025   2.182  -1.683  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.862   2.886   3.103  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.540   3.661   2.869  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.904   2.306   1.630  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.290  -0.850  -0.363  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.253  -1.725   0.788  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.945  -1.367   1.209  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.767   1.154   0.757  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.317  -1.537  -0.283  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.986   0.955  -2.013  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.355  -0.656  -2.430  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.375   1.390  -2.008  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.575   0.764  -2.920  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.918  -1.478  -3.876  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.061  -3.095  -3.922  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.859  -2.466  -3.018  1.00  0.00           H  
HETATM   56  H   UNL     1       0.346  -0.381   1.204  1.00  0.00           H  
HETATM   57  H   UNL     1       0.764   1.355  -1.084  1.00  0.00           H  
HETATM   58  H   UNL     1       1.028  -2.179  -0.388  1.00  0.00           H  
HETATM   59  H   UNL     1       1.340  -0.940  -1.627  1.00  0.00           H  
HETATM   60  H   UNL     1       3.804  -0.687   1.744  1.00  0.00           H  
HETATM   61  H   UNL     1       2.069  -0.982   2.011  1.00  0.00           H  
HETATM   62  H   UNL     1       5.324  -2.711   1.441  1.00  0.00           H  
HETATM   63  H   UNL     1       5.329  -5.245   1.687  1.00  0.00           H  
HETATM   64  H   UNL     1       3.020  -6.278   1.889  1.00  0.00           H  
HETATM   65  H   UNL     1       5.150   1.507   0.848  1.00  0.00           H  
HETATM   66  H   UNL     1       4.073   5.805   1.482  1.00  0.00           H  
HETATM   67  H   UNL     1       5.733   5.895   2.116  1.00  0.00           H  
HETATM   68  H   UNL     1       5.448   5.946   0.360  1.00  0.00           H  
HETATM   69  H   UNL     1       3.660   5.278  -0.503  1.00  0.00           H  
HETATM   70  H   UNL     1       2.356   4.132  -2.248  1.00  0.00           H  
HETATM   71  H   UNL     1       2.456   1.682  -2.452  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    6    6                                       
CONECT    3    2    4    4   41                                       
CONECT    4    3    3    5   42                                       
CONECT    5    4    8    8   43                                       
CONECT    6    2    2    8    7                                       
CONECT    7    6   44   45   46                                       
CONECT    8    5    5    6    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   47                                            
CONECT   12   11   13   20   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   17   19   19   54                                       
CONECT   19   14   18   18   55                                       
CONECT   20   12   22   21   56                                       
CONECT   21   20   57                                                 
CONECT   22   20   23   58   59                                       
CONECT   23   22   30   24                                            
CONECT   24   23   25   60   61                                       
CONECT   25   24   29   26   26                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   28   28   63                                       
CONECT   28   27   27   29   64                                       
CONECT   29   25   28                                                 
CONECT   30   23   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34   34   40                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   36   38   38                                       
CONECT   36   35   37                                                 
CONECT   37   36   66   67   68                                       
CONECT   38   35   35   39   69                                       
CONECT   39   38   40   40   70                                       
CONECT   40   33   39   39   71                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   34                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
