COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.831   5.694   1.590  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.304   5.500   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.665   4.392  -0.415  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.563   3.463   0.118  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.091   3.664   1.397  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.720   4.772   2.127  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.953   2.277  -0.664  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.150   1.256  -1.053  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.046   0.290  -1.835  1.00  0.00           C  
HETATM   10  C   UNL     1       0.290   1.106  -0.780  1.00  0.00           C  
HETATM   11  C   UNL     1       0.741   0.941   0.533  1.00  0.00           C  
HETATM   12  C   UNL     1       2.089   0.801   0.783  1.00  0.00           C  
HETATM   13  C   UNL     1       2.999   0.823  -0.266  1.00  0.00           C  
HETATM   14  C   UNL     1       2.555   0.987  -1.572  1.00  0.00           C  
HETATM   15  C   UNL     1       1.209   1.122  -1.833  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.348   1.943  -1.199  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.943  -0.398  -0.760  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.862   0.767  -0.312  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.998   1.230  -2.437  1.00  0.00           O  
HETATM   20  O   UNL     1       4.327   0.685  -0.014  1.00  0.00           O  
HETATM   21  C   UNL     1       5.207   0.717  -1.139  1.00  0.00           C  
HETATM   22  C   UNL     1       6.651   0.547  -0.662  1.00  0.00           C  
HETATM   23  N   UNL     1       6.819  -0.789  -0.075  1.00  0.00           N  
HETATM   24  C   UNL     1       8.115  -0.907   0.605  1.00  0.00           C  
HETATM   25  C   UNL     1       6.656  -1.836  -1.093  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.472   6.788   2.312  1.00  0.00           O  
HETATM   27  S   UNL     1      -3.912  -1.746  -1.492  1.00  0.00           S  
HETATM   28  O   UNL     1      -4.800  -2.235  -0.357  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.145  -2.969   0.581  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.024  -4.343   0.428  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.358  -5.087   1.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.811  -4.465   2.489  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.930  -3.095   2.645  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.591  -2.344   1.688  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.824  -1.238  -2.457  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.077  -2.857  -1.787  1.00  0.00           O  
HETATM   37  C   UNL     1       8.194  -2.254   1.325  1.00  0.00           C  
HETATM   38  C   UNL     1       6.692  -3.211  -0.423  1.00  0.00           C  
HETATM   39  C   UNL     1       8.028  -3.384   0.305  1.00  0.00           C  
HETATM   40  F   UNL     1      -2.395  -2.489   3.727  1.00  0.00           F  
HETATM   41  H   UNL     1       0.389   6.218  -0.092  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.255   4.241  -1.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.782   2.947   1.815  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.127   4.928   3.115  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.528  -0.374  -2.527  1.00  0.00           H  
HETATM   46  H   UNL     1       0.035   0.925   1.349  1.00  0.00           H  
HETATM   47  H   UNL     1       2.439   0.674   1.797  1.00  0.00           H  
HETATM   48  H   UNL     1       3.266   1.004  -2.385  1.00  0.00           H  
HETATM   49  H   UNL     1       0.865   1.244  -2.850  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.023   2.791  -1.312  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.343  -0.761   0.074  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.722   0.988   0.747  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.906   0.544  -0.527  1.00  0.00           H  
HETATM   54  H   UNL     1       4.953  -0.093  -1.823  1.00  0.00           H  
HETATM   55  H   UNL     1       5.105   1.672  -1.654  1.00  0.00           H  
HETATM   56  H   UNL     1       7.329   0.660  -1.508  1.00  0.00           H  
HETATM   57  H   UNL     1       6.877   1.304   0.088  1.00  0.00           H  
HETATM   58  H   UNL     1       8.917  -0.840  -0.130  1.00  0.00           H  
HETATM   59  H   UNL     1       8.219  -0.100   1.331  1.00  0.00           H  
HETATM   60  H   UNL     1       5.700  -1.704  -1.600  1.00  0.00           H  
HETATM   61  H   UNL     1       7.466  -1.764  -1.819  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.042   7.556   2.172  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.451  -4.830  -0.436  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.265  -6.157   1.263  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.291  -5.050   3.234  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.680  -1.275   1.806  1.00  0.00           H  
HETATM   67  H   UNL     1       9.163  -2.348   1.817  1.00  0.00           H  
HETATM   68  H   UNL     1       7.401  -2.316   2.070  1.00  0.00           H  
HETATM   69  H   UNL     1       5.874  -3.288   0.294  1.00  0.00           H  
HETATM   70  H   UNL     1       6.587  -3.988  -1.181  1.00  0.00           H  
HETATM   71  H   UNL     1       8.844  -3.346  -0.417  1.00  0.00           H  
HETATM   72  H   UNL     1       8.041  -4.345   0.820  1.00  0.00           H  
CONECT    1    6   26    2    2                                       
CONECT    2    1    1    3   41                                       
CONECT    3    4    4    2   42                                       
CONECT    4    5    7    3    3                                       
CONECT    5    6    6    4   43                                       
CONECT    6    5    5    1   44                                       
CONECT    7   16    8    8    4                                       
CONECT    8    9    7    7   10                                       
CONECT    9   17   19    8   45                                       
CONECT   10    8   15   15   11                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   13   47                                       
CONECT   13   14   14   12   20                                       
CONECT   14   15   13   13   48                                       
CONECT   15   10   10   14   49                                       
CONECT   16   18   19    7   50                                       
CONECT   17   27   18    9   51                                       
CONECT   18   17   16   52   53                                       
CONECT   19   16    9                                                 
CONECT   20   13   21                                                 
CONECT   21   20   22   54   55                                       
CONECT   22   21   23   56   57                                       
CONECT   23   25   22   24                                            
CONECT   24   23   37   58   59                                       
CONECT   25   38   23   60   61                                       
CONECT   26    1   62                                                 
CONECT   27   36   36   35   35                                       
CONECT   27   28   17                                                 
CONECT   28   27   29                                                 
CONECT   29   30   28   34   34                                       
CONECT   30   31   31   29   63                                       
CONECT   31   30   30   32   64                                       
CONECT   32   31   33   33   65                                       
CONECT   33   32   32   34   40                                       
CONECT   34   29   29   33   66                                       
CONECT   35   27   27                                                 
CONECT   36   27   27                                                 
CONECT   37   39   24   67   68                                       
CONECT   38   25   39   69   70                                       
CONECT   39   38   37   71   72                                       
CONECT   40   33                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
