COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.961   0.033  -0.512  1.00  0.00           C  
HETATM    2  C   UNL     1       6.186  -2.536  -0.335  1.00  0.00           C  
HETATM    3  C   UNL     1       5.340  -1.435  -0.382  1.00  0.00           C  
HETATM    4  C   UNL     1       3.221   2.635   2.148  1.00  0.00           C  
HETATM    5  C   UNL     1       0.908   1.442  -0.688  1.00  0.00           C  
HETATM    6  C   UNL     1       1.302   2.094   0.640  1.00  0.00           C  
HETATM    7  C   UNL     1       7.552  -2.352  -0.257  1.00  0.00           C  
HETATM    8  C   UNL     1       2.824   2.039   0.795  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.376   0.480  -0.296  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.350  -0.963   1.419  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.266  -1.164   0.320  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.302   0.010  -0.423  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.127   0.668  -0.737  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.904   0.153  -0.307  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.641   0.857  -0.642  1.00  0.00           C  
HETATM   16  C   UNL     1       8.079  -1.074  -0.230  1.00  0.00           C  
HETATM   17  C   UNL     1       9.571  -0.877  -0.143  1.00  0.00           C  
HETATM   18  C   UNL     1       7.240   0.025  -0.282  1.00  0.00           C  
HETATM   19  C   UNL     1       5.872  -0.152  -0.355  1.00  0.00           C  
HETATM   20  C   UNL     1       1.444   0.007  -0.719  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.870  -1.026   0.439  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.049  -1.677   0.754  1.00  0.00           C  
HETATM   23  F   UNL     1      -7.487   0.508  -0.840  1.00  0.00           F  
HETATM   24  F   UNL     1      -5.163   1.809  -1.460  1.00  0.00           F  
HETATM   25  F   UNL     1      -2.687  -1.528   0.856  1.00  0.00           F  
HETATM   26  F   UNL     1      -5.017  -2.816   1.481  1.00  0.00           F  
HETATM   27  N   UNL     1      -7.457  -1.828   0.637  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.552   1.422  -0.811  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.266   2.297  -1.426  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.514   1.995  -1.348  1.00  0.00           N  
HETATM   31  O   UNL     1       0.686   1.388   1.720  1.00  0.00           O  
HETATM   32  O   UNL     1       4.646   2.691   2.244  1.00  0.00           O  
HETATM   33  O   UNL     1       3.260   0.680   0.727  1.00  0.00           O  
HETATM   34  O   UNL     1       1.145  -0.587  -1.984  1.00  0.00           O  
HETATM   35  S   UNL     1       3.595  -1.666  -0.475  1.00  0.00           S  
HETATM   36  H   UNL     1       3.430   0.580  -1.330  1.00  0.00           H  
HETATM   37  H   UNL     1       5.776  -3.535  -0.356  1.00  0.00           H  
HETATM   38  H   UNL     1       2.811   3.641   2.236  1.00  0.00           H  
HETATM   39  H   UNL     1       2.827   2.010   2.950  1.00  0.00           H  
HETATM   40  H   UNL     1       1.336   2.009  -1.515  1.00  0.00           H  
HETATM   41  H   UNL     1       0.971   3.133   0.649  1.00  0.00           H  
HETATM   42  H   UNL     1       8.211  -3.207  -0.215  1.00  0.00           H  
HETATM   43  H   UNL     1       3.292   2.612  -0.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.091  -0.390   0.276  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.267  -1.503   1.651  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.855  -0.672   2.345  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.590  -0.071   0.840  1.00  0.00           H  
HETATM   48  H   UNL     1       9.990  -0.832  -1.148  1.00  0.00           H  
HETATM   49  H   UNL     1       9.784   0.055   0.381  1.00  0.00           H  
HETATM   50  H   UNL     1      10.016  -1.710   0.400  1.00  0.00           H  
HETATM   51  H   UNL     1       7.655   1.022  -0.262  1.00  0.00           H  
HETATM   52  H   UNL     1       5.218   0.706  -0.396  1.00  0.00           H  
HETATM   53  H   UNL     1       0.978  -0.573   0.077  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.916  -2.164  -0.196  1.00  0.00           H  
HETATM   55  H   UNL     1       0.893   1.748   2.593  1.00  0.00           H  
HETATM   56  H   UNL     1       4.969   3.059   3.077  1.00  0.00           H  
HETATM   57  H   UNL     1       1.461  -1.497  -2.075  1.00  0.00           H  
CONECT    1   35   20   33   36                                       
CONECT    2    3    3    7   37                                       
CONECT    3   19    2    2   35                                       
CONECT    4    8   32   38   39                                       
CONECT    5   28   20    6   40                                       
CONECT    6    5    8   31   41                                       
CONECT    7   16   16    2   42                                       
CONECT    8    6   33    4   43                                       
CONECT    9   28   15   15   44                                       
CONECT   10   27   45   46   47                                       
CONECT   11   12   27   22   22                                       
CONECT   12   23   13   13   11                                       
CONECT   13   24   12   12   14                                       
CONECT   14   13   15   21   21                                       
CONECT   15   30    9    9   14                                       
CONECT   16   18   17    7    7                                       
CONECT   17   16   48   49   50                                       
CONECT   18   19   19   16   51                                       
CONECT   19   18   18    3   52                                       
CONECT   20   34    1    5   53                                       
CONECT   21   14   14   22   25                                       
CONECT   22   11   11   21   26                                       
CONECT   23   12                                                      
CONECT   24   13                                                      
CONECT   25   21                                                      
CONECT   26   22                                                      
CONECT   27   11   10   54                                            
CONECT   28   29    5    9                                            
CONECT   29   30   30   28                                            
CONECT   30   29   29   15                                            
CONECT   31    6   55                                                 
CONECT   32    4   56                                                 
CONECT   33    1    8                                                 
CONECT   34   20   57                                                 
CONECT   35    3    1                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   27                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
