COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.783  -1.740   2.533  1.00  0.00           C  
HETATM    2  C   UNL     1       7.661  -0.243   1.065  1.00  0.00           C  
HETATM    3  C   UNL     1       5.332   0.162   1.462  1.00  0.00           C  
HETATM    4  C   UNL     1       5.298   1.023   0.373  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.318  -5.575   1.226  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.575  -5.364  -0.123  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.932  -4.350  -0.799  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.373  -0.607  -2.586  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.311  -0.364  -0.191  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.323  -0.983  -1.390  1.00  0.00           C  
HETATM   11  C   UNL     1       4.482   3.938   0.835  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.160   1.366   2.134  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.657   1.574   1.890  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.866   2.870   1.103  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.085   2.792  -0.212  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.605   2.549   0.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.041   0.960   1.037  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.403   0.653  -0.319  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.927   0.303  -0.120  1.00  0.00           C  
HETATM   20  C   UNL     1       6.451   1.254  -0.365  1.00  0.00           C  
HETATM   21  C   UNL     1       7.628   0.617  -0.023  1.00  0.00           C  
HETATM   22  C   UNL     1       6.511  -0.469   1.806  1.00  0.00           C  
HETATM   23  C   UNL     1       3.559   2.718   0.879  1.00  0.00           C  
HETATM   24  C   UNL     1       0.235  -3.748   1.233  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.413  -4.765   1.900  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.036  -0.939  -2.592  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.013  -0.317  -1.388  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.974  -0.699  -0.186  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.020  -3.532  -0.124  1.00  0.00           C  
HETATM   30  C   UNL     1       2.172  -2.335  -1.122  1.00  0.00           C  
HETATM   31  C   UNL     1       0.670  -2.446  -0.842  1.00  0.00           C  
HETATM   32  C   UNL     1       2.680  -1.206  -0.172  1.00  0.00           C  
HETATM   33  C   UNL     1       0.106  -1.342  -1.391  1.00  0.00           C  
HETATM   34  C   UNL     1       1.257  -0.545  -2.011  1.00  0.00           C  
HETATM   35  C   UNL     1       2.034   0.057  -0.800  1.00  0.00           C  
HETATM   36  F   UNL     1       5.747   3.582   1.314  1.00  0.00           F  
HETATM   37  F   UNL     1       4.593   4.390  -0.485  1.00  0.00           F  
HETATM   38  F   UNL     1       3.949   4.955   1.633  1.00  0.00           F  
HETATM   39  N   UNL     1      -9.458   1.297   0.846  1.00  0.00           N  
HETATM   40  N   UNL     1       4.103   1.662   0.022  1.00  0.00           N  
HETATM   41  O   UNL     1       4.289   0.555  -2.137  1.00  0.00           O  
HETATM   42  O   UNL     1       2.708   2.430  -1.817  1.00  0.00           O  
HETATM   43  O   UNL     1       8.821  -0.869   1.401  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.331   0.015  -1.387  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.959  -6.573   1.889  1.00  0.00           O  
HETATM   46  O   UNL     1       2.157  -1.633  -2.411  1.00  0.00           O  
HETATM   47  S   UNL     1       3.305   1.224  -1.361  1.00  0.00           S  
HETATM   48  H   UNL     1       9.770  -2.174   2.691  1.00  0.00           H  
HETATM   49  H   UNL     1       8.488  -1.176   3.417  1.00  0.00           H  
HETATM   50  H   UNL     1       8.061  -2.537   2.353  1.00  0.00           H  
HETATM   51  H   UNL     1       4.435  -0.018   2.036  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.279  -5.997  -0.643  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.132  -4.187  -1.847  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.924  -0.569  -3.514  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.812  -0.136   0.738  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.769   2.200   2.717  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.007   0.436   2.682  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.052   0.734   1.319  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.176   1.640   2.846  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.927   3.000   0.889  1.00  0.00           H  
HETATM   61  H   UNL     1     -11.507   3.715   1.691  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.471   1.971  -0.816  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.196   3.729  -0.758  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.049   2.478  -0.841  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.216   3.377   0.686  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.959   0.087   1.684  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.526   1.803   1.498  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.918  -0.190  -0.780  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.485   1.526  -0.966  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.412   1.145   0.341  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.845  -0.571   0.526  1.00  0.00           H  
HETATM   72  H   UNL     1       6.426   1.923  -1.212  1.00  0.00           H  
HETATM   73  H   UNL     1       8.524   0.790  -0.602  1.00  0.00           H  
HETATM   74  H   UNL     1       6.538  -1.138   2.653  1.00  0.00           H  
HETATM   75  H   UNL     1       3.488   2.354   1.904  1.00  0.00           H  
HETATM   76  H   UNL     1       2.568   3.000   0.524  1.00  0.00           H  
HETATM   77  H   UNL     1       0.938  -3.119   1.758  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.217  -4.933   2.949  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.539  -1.165  -3.524  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.428  -0.731   0.745  1.00  0.00           H  
HETATM   81  H   UNL     1       2.737  -3.266  -1.093  1.00  0.00           H  
HETATM   82  H   UNL     1       2.321  -1.363   0.845  1.00  0.00           H  
HETATM   83  H   UNL     1       3.768  -1.140  -0.194  1.00  0.00           H  
HETATM   84  H   UNL     1       0.974   0.164  -2.789  1.00  0.00           H  
HETATM   85  H   UNL     1       1.351   0.535  -0.098  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.797  -6.305   2.289  1.00  0.00           H  
CONECT    1   43   48   49   50                                       
CONECT    2   22   22   21   43                                       
CONECT    3    4    4   22   51                                       
CONECT    4   40    3    3   20                                       
CONECT    5    6   45   25   25                                       
CONECT    6    7    7    5   52                                       
CONECT    7    6    6   29   53                                       
CONECT    8   26   26   27   54                                       
CONECT    9   28   27   27   55                                       
CONECT   10   33   28   28   26                                       
CONECT   11   38   37   36   23                                       
CONECT   12   39   13   56   57                                       
CONECT   13   12   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   16   14   62   63                                       
CONECT   16   39   15   64   65                                       
CONECT   17   18   39   66   67                                       
CONECT   18   19   17   68   69                                       
CONECT   19   44   18   70   71                                       
CONECT   20    4   21   21   72                                       
CONECT   21   20   20    2   73                                       
CONECT   22    3    2    2   74                                       
CONECT   23   11   40   75   76                                       
CONECT   24   29   29   25   77                                       
CONECT   25    5    5   24   78                                       
CONECT   26   10    8    8   79                                       
CONECT   27    9    9    8   44                                       
CONECT   28   10   10    9   80                                       
CONECT   29    7   31   24   24                                       
CONECT   30   46   32   31   81                                       
CONECT   31   30   29   33   33                                       
CONECT   32   30   35   82   83                                       
CONECT   33   31   31   34   10                                       
CONECT   34   46   35   33   84                                       
CONECT   35   32   47   34   85                                       
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   17   12   16                                            
CONECT   40   23    4   47                                            
CONECT   41   47   47                                                 
CONECT   42   47   47                                                 
CONECT   43    2    1                                                 
CONECT   44   27   19                                                 
CONECT   45    5   86                                                 
CONECT   46   30   34                                                 
CONECT   47   40   42   42   35                                       
CONECT   47   41   41                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   45                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
