COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.379   1.080  -1.046  1.00  0.00           C  
HETATM    2  C   UNL     1       9.285   1.349  -2.400  1.00  0.00           C  
HETATM    3  C   UNL     1       8.175   2.011  -2.898  1.00  0.00           C  
HETATM    4  C   UNL     1       7.163   2.402  -2.043  1.00  0.00           C  
HETATM    5  C   UNL     1       7.258   2.134  -0.690  1.00  0.00           C  
HETATM    6  C   UNL     1       8.366   1.472  -0.192  1.00  0.00           C  
HETATM    7  C   UNL     1       6.154   2.561   0.242  1.00  0.00           C  
HETATM    8  C   UNL     1       3.066   0.743   1.335  1.00  0.00           C  
HETATM    9  C   UNL     1       1.903   0.798   0.594  1.00  0.00           C  
HETATM   10  C   UNL     1       0.983  -0.246   0.667  1.00  0.00           C  
HETATM   11  C   UNL     1       1.243  -1.340   1.490  1.00  0.00           C  
HETATM   12  C   UNL     1       2.409  -1.385   2.226  1.00  0.00           C  
HETATM   13  C   UNL     1       3.319  -0.346   2.149  1.00  0.00           C  
HETATM   14  C   UNL     1       4.591  -0.401   2.955  1.00  0.00           C  
HETATM   15  C   UNL     1       4.065   1.868   1.251  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.270  -0.192  -0.126  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.925  -1.284  -0.712  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.031  -0.822  -1.345  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.010  -1.690  -2.095  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.342  -3.035  -2.406  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.517  -2.738  -0.681  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.373  -4.366   0.762  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.108   1.410  -1.699  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.238   1.542  -0.676  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.372   2.379  -1.273  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.452   3.491  -0.730  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.486   3.703   0.378  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.167   2.369   0.696  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.103   1.347   1.105  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.080   1.203  -0.024  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.910   1.866  -0.543  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.160   2.563   1.844  1.00  0.00           C  
HETATM   33  F   UNL     1      10.275   0.967  -3.236  1.00  0.00           F  
HETATM   34  F   UNL     1       4.624  -1.588   3.695  1.00  0.00           F  
HETATM   35  F   UNL     1       5.692  -0.359   2.093  1.00  0.00           F  
HETATM   36  F   UNL     1       4.639   0.693   3.826  1.00  0.00           F  
HETATM   37  N   UNL     1       5.159   1.486   0.348  1.00  0.00           N  
HETATM   38  N   UNL     1      -2.077   0.512  -1.174  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.969   0.891  -0.403  1.00  0.00           N  
HETATM   40  N   UNL     1      -1.652  -3.521  -1.202  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.456   2.506  -0.290  1.00  0.00           N  
HETATM   42  O   UNL     1      -0.969  -5.383   0.208  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.754  -5.673  -1.480  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.743   2.182   0.502  1.00  0.00           O  
HETATM   45  S   UNL     1      -2.138  -4.914  -0.449  1.00  0.00           S  
HETATM   46  H   UNL     1      10.242   0.560  -0.657  1.00  0.00           H  
HETATM   47  H   UNL     1       8.101   2.222  -3.955  1.00  0.00           H  
HETATM   48  H   UNL     1       6.298   2.919  -2.431  1.00  0.00           H  
HETATM   49  H   UNL     1       8.436   1.258   0.864  1.00  0.00           H  
HETATM   50  H   UNL     1       6.571   2.769   1.228  1.00  0.00           H  
HETATM   51  H   UNL     1       5.677   3.460  -0.148  1.00  0.00           H  
HETATM   52  H   UNL     1       1.706   1.648  -0.042  1.00  0.00           H  
HETATM   53  H   UNL     1       0.533  -2.152   1.551  1.00  0.00           H  
HETATM   54  H   UNL     1       2.612  -2.233   2.864  1.00  0.00           H  
HETATM   55  H   UNL     1       3.574   2.762   0.868  1.00  0.00           H  
HETATM   56  H   UNL     1       4.467   2.071   2.244  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.896  -1.855  -1.482  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.294  -1.200  -3.026  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.101  -3.758  -2.707  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.621  -2.906  -3.213  1.00  0.00           H  
HETATM   61  H   UNL     1       0.359  -2.891  -1.311  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.296  -3.039   0.343  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.196  -3.875   0.244  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.751  -5.229   1.311  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.912  -3.666   1.459  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.506   1.004  -2.629  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.673   2.391  -1.888  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.614   0.552  -0.420  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.996   3.370  -1.528  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.750   1.891  -2.171  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.952   3.127  -1.628  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.956   4.437  -0.949  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.989   4.081   1.272  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.234   4.423   0.045  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.600   1.687   2.010  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.577   0.383   1.292  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.313   0.487   0.269  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.581   0.850  -0.925  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.202   1.726  -1.360  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.394   0.916  -0.315  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.663   2.597  -0.836  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.913   3.295   1.554  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.644   1.613   2.070  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.629   2.919   2.727  1.00  0.00           H  
HETATM   85  H   UNL     1       4.805   1.230  -0.561  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.391   3.070   0.348  1.00  0.00           H  
CONECT    1    2    6    6   46                                       
CONECT    2   33    3    3    1                                       
CONECT    3    2    2    4   47                                       
CONECT    4    3    5    5   48                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   49                                       
CONECT    7    5   37   50   51                                       
CONECT    8   15   13   13    9                                       
CONECT    9    8   10   10   52                                       
CONECT   10    9    9   11   16                                       
CONECT   11   12   12   10   53                                       
CONECT   12   13   11   11   54                                       
CONECT   13   14    8    8   12                                       
CONECT   14   35   34   36   13                                       
CONECT   15   37    8   55   56                                       
CONECT   16   10   39   39   17                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   38   19                                       
CONECT   19   18   20   57   58                                       
CONECT   20   40   19   59   60                                       
CONECT   21   17   40   61   62                                       
CONECT   22   45   63   64   65                                       
CONECT   23   38   24   66   67                                       
CONECT   24   25   44   23   68                                       
CONECT   25   41   24   69   70                                       
CONECT   26   27   41   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   32   31   29                                       
CONECT   29   28   30   75   76                                       
CONECT   30   41   29   77   78                                       
CONECT   31   28   79   80   81                                       
CONECT   32   28   82   83   84                                       
CONECT   33    2                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37    7   15   85                                            
CONECT   38   39   18   23                                            
CONECT   39   16   16   38                                            
CONECT   40   21   20   45                                            
CONECT   41   26   25   30                                            
CONECT   42   45   45                                                 
CONECT   43   45   45                                                 
CONECT   44   24   86                                                 
CONECT   45   40   22   42   42                                       
CONECT   45   43   43                                                 
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   37                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
