COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.710   1.544  -0.706  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.004   3.377   0.675  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.363   0.658   0.298  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.838   1.125   1.490  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.657   2.479   1.683  1.00  0.00           C  
HETATM    6  C   UNL     1       5.339  -0.497  -1.762  1.00  0.00           C  
HETATM    7  C   UNL     1       5.831   2.328  -1.966  1.00  0.00           C  
HETATM    8  C   UNL     1       5.064   2.378   0.222  1.00  0.00           C  
HETATM    9  C   UNL     1       6.806  -0.014  -1.932  1.00  0.00           C  
HETATM   10  C   UNL     1       2.469  -1.100   2.823  1.00  0.00           C  
HETATM   11  C   UNL     1       1.478  -1.970   2.410  1.00  0.00           C  
HETATM   12  C   UNL     1       0.190  -1.432   1.843  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.718  -3.236  -2.571  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.130  -3.533  -2.062  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.670  -3.433  -4.087  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.043  -1.965  -0.064  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.019  -0.846  -0.264  1.00  0.00           C  
HETATM   18  C   UNL     1       2.639  -0.590  -0.016  1.00  0.00           C  
HETATM   19  O   UNL     1       2.978  -1.740   0.186  1.00  0.00           O  
HETATM   20  O   UNL     1       3.567   0.347  -0.287  1.00  0.00           O  
HETATM   21  C   UNL     1       4.952  -0.088  -0.323  1.00  0.00           C  
HETATM   22  C   UNL     1       6.764   1.345  -1.214  1.00  0.00           C  
HETATM   23  C   UNL     1       4.534   0.386  -2.736  1.00  0.00           C  
HETATM   24  O   UNL     1       4.569   1.721  -2.263  1.00  0.00           O  
HETATM   25  O   UNL     1       5.494   3.251  -0.878  1.00  0.00           O  
HETATM   26  C   UNL     1       5.877   1.075   0.081  1.00  0.00           C  
HETATM   27  N   UNL     1       1.335  -0.254   0.032  1.00  0.00           N  
HETATM   28  C   UNL     1       0.326  -1.273   0.327  1.00  0.00           C  
HETATM   29  C   UNL     1       1.669  -3.336   2.516  1.00  0.00           C  
HETATM   30  C   UNL     1       2.850  -3.830   3.036  1.00  0.00           C  
HETATM   31  C   UNL     1       3.841  -2.959   3.450  1.00  0.00           C  
HETATM   32  C   UNL     1       3.652  -1.594   3.338  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.474   0.338   0.395  1.00  0.00           O  
HETATM   34  N   UNL     1      -3.277  -1.631  -0.779  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.348  -1.790  -2.233  1.00  0.00           C  
HETATM   36  S   UNL     1      -4.593  -1.073   0.058  1.00  0.00           S  
HETATM   37  O   UNL     1      -4.531  -1.668   1.347  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.709  -1.213  -0.809  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.528   2.900  -0.526  1.00  0.00           C  
HETATM   40  B   UNL     1      -3.800   4.919   0.889  1.00  0.00           B  
HETATM   41  O   UNL     1      -4.155   5.831  -0.140  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.261   5.401   2.111  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.119   1.174  -1.635  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.569   0.428   2.270  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.250   2.843   2.615  1.00  0.00           H  
HETATM   46  H   UNL     1       5.214  -1.564  -1.951  1.00  0.00           H  
HETATM   47  H   UNL     1       6.291   2.810  -2.829  1.00  0.00           H  
HETATM   48  H   UNL     1       5.281   2.851   1.180  1.00  0.00           H  
HETATM   49  H   UNL     1       3.998   2.162   0.147  1.00  0.00           H  
HETATM   50  H   UNL     1       7.501  -0.694  -1.441  1.00  0.00           H  
HETATM   51  H   UNL     1       7.058   0.108  -2.986  1.00  0.00           H  
HETATM   52  H   UNL     1       2.320  -0.033   2.739  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.623  -2.125   2.064  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.028  -0.463   2.292  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.009  -3.913  -2.093  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.393  -4.563  -2.303  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.164  -3.392  -0.982  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.838  -2.856  -2.539  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.378  -2.756  -4.565  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.664  -3.221  -4.450  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.933  -4.463  -4.328  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.640  -2.900  -0.454  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.257  -2.077   0.999  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.901  -0.647  -1.329  1.00  0.00           H  
HETATM   65  H   UNL     1       5.094  -0.931   0.354  1.00  0.00           H  
HETATM   66  H   UNL     1       7.754   1.757  -1.016  1.00  0.00           H  
HETATM   67  H   UNL     1       4.979   0.337  -3.730  1.00  0.00           H  
HETATM   68  H   UNL     1       3.502   0.038  -2.779  1.00  0.00           H  
HETATM   69  H   UNL     1       6.475   0.856   0.965  1.00  0.00           H  
HETATM   70  H   UNL     1       1.065   0.664  -0.129  1.00  0.00           H  
HETATM   71  H   UNL     1       0.630  -2.224  -0.112  1.00  0.00           H  
HETATM   72  H   UNL     1       0.895  -4.016   2.193  1.00  0.00           H  
HETATM   73  H   UNL     1       2.999  -4.896   3.120  1.00  0.00           H  
HETATM   74  H   UNL     1       4.764  -3.345   3.857  1.00  0.00           H  
HETATM   75  H   UNL     1       4.426  -0.914   3.661  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.520   0.260   1.357  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.380  -1.550  -2.672  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.106  -1.117  -2.636  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.798   3.592  -1.310  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.993   6.758   0.084  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.173   6.363   2.149  1.00  0.00           H  
CONECT    1   39    3    3   43                                       
CONECT    2   39   39   40    5                                       
CONECT    3    1    1    4   36                                       
CONECT    4    5    5    3   44                                       
CONECT    5    2    4    4   45                                       
CONECT    6   21    9   23   46                                       
CONECT    7   22   25   24   47                                       
CONECT    8   26   25   48   49                                       
CONECT    9   22    6   50   51                                       
CONECT   10   32   11   11   52                                       
CONECT   11   10   10   29   12                                       
CONECT   12   11   28   53   54                                       
CONECT   13   35   14   15   55                                       
CONECT   14   13   56   57   58                                       
CONECT   15   13   59   60   61                                       
CONECT   16   34   17   62   63                                       
CONECT   17   28   16   33   64                                       
CONECT   18   19   19   27   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   26   20    6   65                                       
CONECT   22   26    7    9   66                                       
CONECT   23    6   24   67   68                                       
CONECT   24    7   23                                                 
CONECT   25    8    7                                                 
CONECT   26    8   22   21   69                                       
CONECT   27   28   18   70                                            
CONECT   28   12   27   17   71                                       
CONECT   29   30   30   11   72                                       
CONECT   30   31   29   29   73                                       
CONECT   31   32   32   30   74                                       
CONECT   32   31   31   10   75                                       
CONECT   33   17   76                                                 
CONECT   34   36   16   35                                            
CONECT   35   34   13   77   78                                       
CONECT   36   37   37    3   38                                       
CONECT   36   38   34                                                 
CONECT   37   36   36                                                 
CONECT   38   36   36                                                 
CONECT   39    2    2    1   79                                       
CONECT   40   41    2   42                                            
CONECT   41   40   80                                                 
CONECT   42   40   81                                                 
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
