COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1       8.737  -3.963  -0.548  1.00  0.00           F  
HETATM    2  C   UNL     1       8.623  -2.607  -0.872  1.00  0.00           C  
HETATM    3  C   UNL     1       9.492  -1.741   0.078  1.00  0.00           C  
HETATM    4  C   UNL     1       8.742  -0.386   0.036  1.00  0.00           C  
HETATM    5  N   UNL     1       7.314  -0.747  -0.026  1.00  0.00           N  
HETATM    6  C   UNL     1       7.193  -2.097  -0.594  1.00  0.00           C  
HETATM    7  C   UNL     1       6.289   0.033   0.371  1.00  0.00           C  
HETATM    8  C   UNL     1       4.872  -0.465   0.249  1.00  0.00           C  
HETATM    9  N   UNL     1       3.947   0.562   0.747  1.00  0.00           N  
HETATM   10  C   UNL     1       3.980   1.757  -0.107  1.00  0.00           C  
HETATM   11  C   UNL     1       3.145   2.867   0.541  1.00  0.00           C  
HETATM   12  N   UNL     1       1.801   2.338   0.820  1.00  0.00           N  
HETATM   13  C   UNL     1       1.691   1.069   1.554  1.00  0.00           C  
HETATM   14  C   UNL     1       2.583   0.030   0.866  1.00  0.00           C  
HETATM   15  C   UNL     1       0.655   3.026   0.397  1.00  0.00           C  
HETATM   16  C   UNL     1       0.779   4.303  -0.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.333   4.968  -0.600  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.600   4.372  -0.430  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.695   3.127   0.146  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.566   2.462   0.550  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.023   2.802   0.182  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.824   4.781  -0.729  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.703   3.842  -0.366  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.198   3.923  -0.535  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.806   4.679   0.648  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.576   1.619   0.688  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.579   0.855   1.449  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.154   0.805  -0.390  1.00  0.00           C  
HETATM   29  S   UNL     1      -2.863   0.310  -1.592  1.00  0.00           S  
HETATM   30  C   UNL     1      -3.034  -1.440  -1.334  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.008  -1.584  -0.399  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.624  -0.489   0.128  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.401  -2.932   0.049  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.513  -3.214   1.413  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.881  -4.477   1.825  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.140  -5.467   0.890  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.031  -5.194  -0.465  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.669  -3.933  -0.890  1.00  0.00           C  
HETATM   39  F   UNL     1      -5.501  -6.702   1.300  1.00  0.00           F  
HETATM   40  C   UNL     1      -2.297  -2.484  -1.980  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.712  -3.312  -2.492  1.00  0.00           N  
HETATM   42  O   UNL     1       6.507   1.135   0.828  1.00  0.00           O  
HETATM   43  H   UNL     1       8.901  -2.436  -1.912  1.00  0.00           H  
HETATM   44  H   UNL     1       9.497  -2.154   1.087  1.00  0.00           H  
HETATM   45  H   UNL     1      10.507  -1.638  -0.305  1.00  0.00           H  
HETATM   46  H   UNL     1       8.949   0.190   0.938  1.00  0.00           H  
HETATM   47  H   UNL     1       9.030   0.179  -0.850  1.00  0.00           H  
HETATM   48  H   UNL     1       6.626  -2.060  -1.523  1.00  0.00           H  
HETATM   49  H   UNL     1       6.697  -2.756   0.119  1.00  0.00           H  
HETATM   50  H   UNL     1       4.651  -0.678  -0.796  1.00  0.00           H  
HETATM   51  H   UNL     1       4.755  -1.375   0.838  1.00  0.00           H  
HETATM   52  H   UNL     1       5.010   2.096  -0.220  1.00  0.00           H  
HETATM   53  H   UNL     1       3.567   1.516  -1.087  1.00  0.00           H  
HETATM   54  H   UNL     1       3.615   3.182   1.472  1.00  0.00           H  
HETATM   55  H   UNL     1       3.071   3.715  -0.140  1.00  0.00           H  
HETATM   56  H   UNL     1       2.022   1.211   2.583  1.00  0.00           H  
HETATM   57  H   UNL     1       0.655   0.729   1.545  1.00  0.00           H  
HETATM   58  H   UNL     1       2.190  -0.187  -0.127  1.00  0.00           H  
HETATM   59  H   UNL     1       2.601  -0.885   1.459  1.00  0.00           H  
HETATM   60  H   UNL     1       1.754   4.750  -0.316  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.248   5.946  -1.051  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.652   1.484   1.000  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.431   4.449  -1.461  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.615   2.916  -0.575  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.874   4.814   0.484  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.648   4.109   1.564  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.326   5.654   0.741  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.840   0.439   0.764  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.084   1.514   2.162  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.074   0.045   1.985  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.961   1.342  -0.888  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.322  -0.558   0.798  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.311  -2.444   2.143  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.968  -4.696   2.879  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.233  -5.969  -1.189  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.584  -3.721  -1.946  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    6   43                                       
CONECT    3    2    4   44   45                                       
CONECT    4    3    5   46   47                                       
CONECT    5    6    4    7                                            
CONECT    6    2    5   48   49                                       
CONECT    7    5   42   42    8                                       
CONECT    8    7    9   50   51                                       
CONECT    9   10    8   14                                            
CONECT   10   11    9   52   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   15   13                                            
CONECT   13   12   14   56   57                                       
CONECT   14    9   13   58   59                                       
CONECT   15   20   20   12   16                                       
CONECT   16   15   17   17   60                                       
CONECT   17   18   16   16   61                                       
CONECT   18   19   22   22   17                                       
CONECT   19   21   20   18                                            
CONECT   20   19   15   15   62                                       
CONECT   21   26   19   23   23                                       
CONECT   22   23   18   18                                            
CONECT   23   21   21   24   22                                       
CONECT   24   25   23   63   64                                       
CONECT   25   24   65   66   67                                       
CONECT   26   27   28   21                                            
CONECT   27   26   68   69   70                                       
CONECT   28   32   26   29   71                                       
CONECT   29   28   30                                                 
CONECT   30   31   31   29   40                                       
CONECT   31   33   32   30   30                                       
CONECT   32   31   28   72                                            
CONECT   33   38   38   34   31                                       
CONECT   34   35   35   33   73                                       
CONECT   35   36   34   34   74                                       
CONECT   36   39   37   37   35                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   33   33   76                                       
CONECT   39   36                                                      
CONECT   40   30   41   41   41                                       
CONECT   41   40   40   40                                            
CONECT   42    7    7                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   32                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
