COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.694   0.657   0.611  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.407  -0.781   0.264  1.00  0.00           C  
HETATM    3  C   UNL     1       1.904  -0.464   1.023  1.00  0.00           C  
HETATM    4  C   UNL     1       3.124  -0.487   0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       5.971  -1.480  -2.876  1.00  0.00           C  
HETATM    6  C   UNL     1       7.082  -2.068  -2.300  1.00  0.00           C  
HETATM    7  C   UNL     1       7.006  -2.598  -1.025  1.00  0.00           C  
HETATM    8  C   UNL     1       6.925  -3.657   1.462  1.00  0.00           C  
HETATM    9  C   UNL     1       6.646  -4.189   2.868  1.00  0.00           C  
HETATM   10  C   UNL     1       2.416  -2.578  -0.911  1.00  0.00           C  
HETATM   11  C   UNL     1       1.168  -2.639  -0.025  1.00  0.00           C  
HETATM   12  C   UNL     1       0.240   2.827   0.324  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.840   3.375   0.890  1.00  0.00           C  
HETATM   14  C   UNL     1       0.956   5.005   0.248  1.00  0.00           C  
HETATM   15  C   UNL     1       1.866   6.172  -0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       1.232   3.729  -0.031  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.021   1.082  -0.025  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.864   1.638  -2.169  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.907   1.467  -3.689  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.972  -0.389  -0.176  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.113  -1.092   0.450  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.609  -2.278  -0.104  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.217  -2.328   1.661  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.709  -0.587   1.606  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.897  -0.107   2.665  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.670  -4.042  -1.691  1.00  0.00           F  
HETATM   27  C   UNL     1      -4.995  -2.866  -1.348  1.00  0.00           C  
HETATM   28  F   UNL     1      -5.097  -1.947  -2.398  1.00  0.00           F  
HETATM   29  F   UNL     1      -3.647  -3.155  -1.111  1.00  0.00           F  
HETATM   30  C   UNL     1      -6.678  -2.896   0.520  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.722  -1.215   2.166  1.00  0.00           N  
HETATM   32  O   UNL     1      -3.813  -0.441  -1.380  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.109   0.308   0.589  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.237   0.310   2.052  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.791   0.806   2.131  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.979   0.808  -1.530  1.00  0.00           C  
HETATM   37  O   UNL     1       0.359   1.486   0.116  1.00  0.00           O  
HETATM   38  F   UNL     1       3.199   5.750   0.025  1.00  0.00           F  
HETATM   39  F   UNL     1       1.596   6.673  -1.315  1.00  0.00           F  
HETATM   40  F   UNL     1       1.650   7.175   0.913  1.00  0.00           F  
HETATM   41  S   UNL     1      -0.630   5.117   0.998  1.00  0.00           S  
HETATM   42  O   UNL     1      -1.296  -1.495  -0.150  1.00  0.00           O  
HETATM   43  N   UNL     1       0.839  -1.275   0.414  1.00  0.00           N  
HETATM   44  N   UNL     1       3.490  -1.881  -0.191  1.00  0.00           N  
HETATM   45  C   UNL     1       4.695  -1.947  -0.900  1.00  0.00           C  
HETATM   46  C   UNL     1       5.815  -2.540  -0.321  1.00  0.00           C  
HETATM   47  O   UNL     1       5.738  -3.065   0.931  1.00  0.00           O  
HETATM   48  O   UNL     1       5.694  -5.253   2.795  1.00  0.00           O  
HETATM   49  C   UNL     1       4.780  -1.413  -2.177  1.00  0.00           C  
HETATM   50  H   UNL     1       2.174  -0.881   1.993  1.00  0.00           H  
HETATM   51  H   UNL     1       1.560   0.563   1.149  1.00  0.00           H  
HETATM   52  H   UNL     1       2.882   0.024  -0.837  1.00  0.00           H  
HETATM   53  H   UNL     1       3.959   0.017   0.580  1.00  0.00           H  
HETATM   54  H   UNL     1       6.035  -1.068  -3.872  1.00  0.00           H  
HETATM   55  H   UNL     1       8.012  -2.115  -2.848  1.00  0.00           H  
HETATM   56  H   UNL     1       7.876  -3.057  -0.578  1.00  0.00           H  
HETATM   57  H   UNL     1       7.715  -2.907   1.507  1.00  0.00           H  
HETATM   58  H   UNL     1       7.241  -4.478   0.818  1.00  0.00           H  
HETATM   59  H   UNL     1       7.572  -4.560   3.307  1.00  0.00           H  
HETATM   60  H   UNL     1       6.246  -3.387   3.488  1.00  0.00           H  
HETATM   61  H   UNL     1       2.739  -3.589  -1.156  1.00  0.00           H  
HETATM   62  H   UNL     1       2.185  -2.038  -1.829  1.00  0.00           H  
HETATM   63  H   UNL     1       0.335  -3.052  -0.594  1.00  0.00           H  
HETATM   64  H   UNL     1       1.367  -3.266   0.844  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.709   2.830   1.229  1.00  0.00           H  
HETATM   66  H   UNL     1       2.157   3.423  -0.496  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.185   2.145   0.148  1.00  0.00           H  
HETATM   68  H   UNL     1       0.101   1.301  -1.792  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.005   2.690  -1.918  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.766   0.415  -3.940  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.873   1.804  -4.065  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.113   2.058  -4.144  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.051  -2.809   2.150  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.337   0.327   2.045  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.949  -0.017   3.751  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.678  -1.140   2.396  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.093  -3.808   0.116  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.011  -0.397   2.352  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.501   1.310   2.395  1.00  0.00           H  
HETATM   80  H   UNL     1       0.161   0.528   2.585  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.022   1.842   2.380  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.787  -0.251  -1.701  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.936   1.080  -1.976  1.00  0.00           H  
HETATM   84  H   UNL     1       5.469  -5.640   3.652  1.00  0.00           H  
HETATM   85  H   UNL     1       3.914  -0.953  -2.629  1.00  0.00           H  
CONECT    1   17   35   37    2                                       
CONECT    2    1   43   42   42                                       
CONECT    3   43    4   50   51                                       
CONECT    4    3   44   52   53                                       
CONECT    5   49    6    6   54                                       
CONECT    6    5    5    7   55                                       
CONECT    7   46   46    6   56                                       
CONECT    8   47    9   57   58                                       
CONECT    9    8   48   59   60                                       
CONECT   10   11   44   61   62                                       
CONECT   11   43   10   63   64                                       
CONECT   12   37   16   13   13                                       
CONECT   13   12   12   41   65                                       
CONECT   14   16   16   15   41                                       
CONECT   15   14   40   39   38                                       
CONECT   16   12   14   14   66                                       
CONECT   17   36   33    1   67                                       
CONECT   18   19   36   68   69                                       
CONECT   19   18   70   71   72                                       
CONECT   20   21   32   32   33                                       
CONECT   21   24   24   22   20                                       
CONECT   22   30   30   21   27                                       
CONECT   23   31   31   30   73                                       
CONECT   24   31   21   21   74                                       
CONECT   25   34   35   75   76                                       
CONECT   26   27                                                      
CONECT   27   22   28   26   29                                       
CONECT   28   27                                                      
CONECT   29   27                                                      
CONECT   30   23   22   22   77                                       
CONECT   31   23   23   24                                            
CONECT   32   20   20                                                 
CONECT   33   20   34   17                                            
CONECT   34   33   25   78   79                                       
CONECT   35   25    1   80   81                                       
CONECT   36   18   17   82   83                                       
CONECT   37    1   12                                                 
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   13   14                                                 
CONECT   42    2    2                                                 
CONECT   43   11    2    3                                            
CONECT   44   10    4   45                                            
CONECT   45   44   49   49   46                                       
CONECT   46   45   47    7    7                                       
CONECT   47   46    8                                                 
CONECT   48    9   84                                                 
CONECT   49   45   45    5   85                                       
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   13                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   30                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   48                                                      
CONECT   85   49                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
