COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.494  -2.665   0.583  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.099  -0.818   0.830  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.663  -1.424   0.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.495  -3.338   1.121  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.973  -1.597   0.833  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.819   0.408   0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.792   1.511   0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.107   1.494   0.465  1.00  0.00           C  
HETATM    9  C   UNL     1       1.768  -0.278  -0.586  1.00  0.00           C  
HETATM   10  C   UNL     1       2.532   1.853  -1.347  1.00  0.00           C  
HETATM   11  C   UNL     1       3.936   0.537   0.061  1.00  0.00           C  
HETATM   12  C   UNL     1       5.749   2.857   0.326  1.00  0.00           C  
HETATM   13  C   UNL     1       4.745   2.790  -0.811  1.00  0.00           C  
HETATM   14  O   UNL     1       5.058   0.499   2.325  1.00  0.00           O  
HETATM   15  S   UNL     1       5.421   0.254   0.973  1.00  0.00           S  
HETATM   16  O   UNL     1       5.856  -1.031   0.550  1.00  0.00           O  
HETATM   17  C   UNL     1       6.548   1.546   0.369  1.00  0.00           C  
HETATM   18  C   UNL     1       3.738   1.687  -0.667  1.00  0.00           C  
HETATM   19  C   UNL     1       1.557   0.881  -1.309  1.00  0.00           C  
HETATM   20  C   UNL     1       2.956  -0.445   0.097  1.00  0.00           C  
HETATM   21  C   UNL     1       0.709  -1.349  -0.539  1.00  0.00           C  
HETATM   22  C   UNL     1       0.771  -2.184  -1.819  1.00  0.00           C  
HETATM   23  C   UNL     1       2.150  -2.837  -1.936  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.305  -3.271  -1.772  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.612  -0.724  -0.428  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.937  -0.842   0.252  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.704  -2.833   1.250  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.516   0.449  -0.103  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.639   2.688   0.135  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.636   3.467  -0.454  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.529   2.773  -0.476  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.965  -1.089   1.172  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.315  -4.344   1.471  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.626   0.672   0.937  1.00  0.00           H  
HETATM   35  H   UNL     1       2.361   2.757  -1.913  1.00  0.00           H  
HETATM   36  H   UNL     1       6.429   3.693   0.164  1.00  0.00           H  
HETATM   37  H   UNL     1       5.222   2.993   1.271  1.00  0.00           H  
HETATM   38  H   UNL     1       4.215   3.741  -0.864  1.00  0.00           H  
HETATM   39  H   UNL     1       5.288   2.643  -1.745  1.00  0.00           H  
HETATM   40  H   UNL     1       6.901   1.293  -0.631  1.00  0.00           H  
HETATM   41  H   UNL     1       7.395   1.648   1.048  1.00  0.00           H  
HETATM   42  H   UNL     1       0.630   1.024  -1.843  1.00  0.00           H  
HETATM   43  H   UNL     1       3.124  -1.347   0.665  1.00  0.00           H  
HETATM   44  H   UNL     1       0.880  -1.992   0.324  1.00  0.00           H  
HETATM   45  H   UNL     1       0.599  -1.541  -2.682  1.00  0.00           H  
HETATM   46  H   UNL     1       2.321  -3.481  -1.073  1.00  0.00           H  
HETATM   47  H   UNL     1       2.194  -3.432  -2.848  1.00  0.00           H  
HETATM   48  H   UNL     1       2.916  -2.063  -1.970  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.288  -2.806  -1.689  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.261  -3.866  -2.684  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.134  -3.915  -0.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.749   0.181  -0.749  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.004   1.278  -0.571  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.559   2.960   0.280  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.579   3.107  -0.866  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   32                                            
CONECT    3   25    1    1   26                                       
CONECT    4    1   27   27   33                                       
CONECT    5   27    2   26   26                                       
CONECT    6    2    7   28   28                                       
CONECT    7    6   31    8    8                                       
CONECT    8   29    7    7   34                                       
CONECT    9   21   19   19   20                                       
CONECT   10   19   18   18   35                                       
CONECT   11   18   20   20   15                                       
CONECT   12   17   13   36   37                                       
CONECT   13   12   18   38   39                                       
CONECT   14   15   15                                                 
CONECT   15   11   16   16   14                                       
CONECT   15   14   17                                                 
CONECT   16   15   15                                                 
CONECT   17   15   12   40   41                                       
CONECT   18   10   10   11   13                                       
CONECT   19    9    9   10   42                                       
CONECT   20   11   11    9   43                                       
CONECT   21   22   25    9   44                                       
CONECT   22   24   23   21   45                                       
CONECT   23   22   46   47   48                                       
CONECT   24   22   49   50   51                                       
CONECT   25   21    3   52                                            
CONECT   26   28    3    5    5                                       
CONECT   27    4    4    5                                            
CONECT   28    6    6   26   53                                       
CONECT   29   30    8   54                                            
CONECT   30   31   31   29                                            
CONECT   31    7   30   30   55                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
