COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.447  -1.893  -1.116  1.00  0.00           C  
HETATM    2  C   UNL     1       1.824  -1.547  -2.377  1.00  0.00           C  
HETATM    3  C   UNL     1       3.096  -1.038  -2.632  1.00  0.00           C  
HETATM    4  C   UNL     1       3.999  -0.874  -1.626  1.00  0.00           C  
HETATM    5  C   UNL     1       3.646  -1.220  -0.312  1.00  0.00           C  
HETATM    6  C   UNL     1       4.556  -1.064   0.756  1.00  0.00           C  
HETATM    7  C   UNL     1       4.169  -1.417   2.031  1.00  0.00           C  
HETATM    8  C   UNL     1       2.896  -1.923   2.274  1.00  0.00           C  
HETATM    9  C   UNL     1       1.998  -2.084   1.262  1.00  0.00           C  
HETATM   10  C   UNL     1       2.353  -1.736  -0.052  1.00  0.00           C  
HETATM   11  N   UNL     1       5.833  -0.558   0.523  1.00  0.00           N  
HETATM   12  C   UNL     1       6.057   0.677   1.285  1.00  0.00           C  
HETATM   13  C   UNL     1       6.860  -1.562   0.832  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.169  -2.527  -0.817  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.848  -2.501  -2.065  1.00  0.00           O  
HETATM   16  O   UNL     1       0.000  -3.710  -0.048  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.948  -1.441   0.162  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.247  -0.094  -0.331  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.118   0.894   0.799  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.154   0.509   1.949  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.675  -0.057  -0.880  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.665  -0.315   0.257  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.083  -0.404  -0.312  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.032  -0.651   0.777  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.367  -0.769   0.507  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.806  -0.659  -0.747  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.230  -0.993   1.496  1.00  0.00           N1+
HETATM   28  N   UNL     1      -0.962   2.206   0.533  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.723   3.167   1.618  1.00  0.00           C  
HETATM   30  C   UNL     1       0.541   3.970   1.295  1.00  0.00           C  
HETATM   31  C   UNL     1       0.397   4.608  -0.088  1.00  0.00           C  
HETATM   32  C   UNL     1       0.239   3.510  -1.143  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.023   2.701  -0.849  1.00  0.00           C  
HETATM   34  C   UNL     1       1.643   5.439  -0.399  1.00  0.00           C  
HETATM   35  C   UNL     1       1.447   6.175  -1.726  1.00  0.00           C  
HETATM   36  H   UNL     1       1.126  -1.668  -3.193  1.00  0.00           H  
HETATM   37  H   UNL     1       3.370  -0.771  -3.642  1.00  0.00           H  
HETATM   38  H   UNL     1       4.982  -0.479  -1.838  1.00  0.00           H  
HETATM   39  H   UNL     1       4.862  -1.299   2.851  1.00  0.00           H  
HETATM   40  H   UNL     1       2.615  -2.194   3.281  1.00  0.00           H  
HETATM   41  H   UNL     1       1.015  -2.479   1.470  1.00  0.00           H  
HETATM   42  H   UNL     1       5.951   0.471   2.350  1.00  0.00           H  
HETATM   43  H   UNL     1       7.062   1.050   1.085  1.00  0.00           H  
HETATM   44  H   UNL     1       5.325   1.427   0.985  1.00  0.00           H  
HETATM   45  H   UNL     1       6.712  -2.440   0.204  1.00  0.00           H  
HETATM   46  H   UNL     1       7.848  -1.141   0.642  1.00  0.00           H  
HETATM   47  H   UNL     1       6.784  -1.849   1.881  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.207  -1.697   1.061  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.546   0.167  -1.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.871   0.922  -1.317  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.790  -0.826  -1.644  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.414  -1.253   0.753  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.614   0.502   0.976  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.335   0.533  -0.808  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.135  -1.221  -1.031  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.713  -0.731   1.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.177  -0.496  -1.467  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.753  -0.743  -0.938  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.177  -1.077   1.305  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.911  -1.073   2.409  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.574   3.843   1.702  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.586   2.631   2.557  1.00  0.00           H  
HETATM   63  H   UNL     1       0.677   4.751   2.043  1.00  0.00           H  
HETATM   64  H   UNL     1       1.406   3.306   1.301  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.482   5.252  -0.101  1.00  0.00           H  
HETATM   66  H   UNL     1       0.159   3.964  -2.131  1.00  0.00           H  
HETATM   67  H   UNL     1       1.106   2.850  -1.115  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.084   1.858  -1.537  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.899   3.339  -0.971  1.00  0.00           H  
HETATM   70  H   UNL     1       1.805   6.163   0.398  1.00  0.00           H  
HETATM   71  H   UNL     1       2.509   4.781  -0.474  1.00  0.00           H  
HETATM   72  H   UNL     1       1.285   5.451  -2.524  1.00  0.00           H  
HETATM   73  H   UNL     1       0.581   6.833  -1.651  1.00  0.00           H  
HETATM   74  H   UNL     1       2.335   6.767  -1.947  1.00  0.00           H  
CONECT    1    2    2   10   14                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   39                                       
CONECT    8    7    7    9   40                                       
CONECT    9    8   10   10   41                                       
CONECT   10    1    5    9    9                                       
CONECT   11    6   12   13                                            
CONECT   12   11   42   43   44                                       
CONECT   13   11   45   46   47                                       
CONECT   14    1   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   18   48   14                                            
CONECT   18   17   19   21   49                                       
CONECT   19   18   20   20   28                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   56                                            
CONECT   25   24   26   27   27                                       
CONECT   26   25   57   58                                            
CONECT   27   25   25   59   60                                       
CONECT   28   29   33   19                                            
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   63   64                                       
CONECT   31   30   32   34   65                                       
CONECT   32   31   33   66   67                                       
CONECT   33   28   32   68   69                                       
CONECT   34   31   35   70   71                                       
CONECT   35   34   72   73   74                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
