COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.431  -1.720  -1.127  1.00  0.00           C  
HETATM    2  C   UNL     1       0.864   2.174   0.161  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.459  -0.838  -0.743  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.179  -1.096   0.411  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.815   1.948  -0.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.023   0.214   2.197  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.307  -0.163   2.966  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.367  -0.281   1.839  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.527  -0.874   0.680  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.899   2.313  -1.453  1.00  0.00           C  
HETATM   11  C   UNL     1       0.441   2.425  -1.130  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.205  -0.224   0.801  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.749   0.287  -1.519  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.148  -2.857  -0.328  1.00  0.00           C  
HETATM   15  N   UNL     1       9.433  -0.484   0.013  1.00  0.00           N  
HETATM   16  O   UNL     1      -4.235   1.844   0.333  1.00  0.00           O  
HETATM   17  S   UNL     1      -3.522   1.804  -0.895  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.756   2.715  -1.961  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.670  -1.495  -2.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.684  -2.389  -2.596  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.457  -3.487  -1.769  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.171  -3.697  -0.690  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.901  -3.085   0.835  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.891  -2.219   1.189  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.391   1.696   0.808  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.052   1.809   1.130  1.00  0.00           C  
HETATM   27  C   UNL     1       2.325   2.290   0.512  1.00  0.00           C  
HETATM   28  C   UNL     1       3.013   0.941   0.289  1.00  0.00           C  
HETATM   29  C   UNL     1       4.496   1.060   0.645  1.00  0.00           C  
HETATM   30  C   UNL     1       5.183  -0.289   0.423  1.00  0.00           C  
HETATM   31  C   UNL     1       6.666  -0.170   0.778  1.00  0.00           C  
HETATM   32  C   UNL     1       7.328  -1.547   0.676  1.00  0.00           C  
HETATM   33  C   UNL     1       8.824  -1.412   0.974  1.00  0.00           C  
HETATM   34  C   UNL     1      10.892  -0.435   0.180  1.00  0.00           C  
HETATM   35  C   UNL     1       8.846   0.858   0.125  1.00  0.00           C  
HETATM   36  C   UNL     1       7.351   0.790  -0.198  1.00  0.00           C  
HETATM   37  H   UNL     1      -4.875   1.294   2.231  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.165  -0.294   2.637  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.183  -1.116   3.479  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.579   0.623   3.671  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.169  -0.960   2.127  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.764   0.699   1.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.432  -1.953   0.795  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.983  -0.634  -0.280  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.229   2.510  -2.462  1.00  0.00           H  
HETATM   46  H   UNL     1       1.157   2.710  -1.887  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.084   0.179  -2.423  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.859  -0.639  -2.918  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.081  -2.245  -3.481  1.00  0.00           H  
HETATM   50  H   UNL     1       0.325  -4.185  -2.026  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.695  -3.948   1.451  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.463  -2.404   2.086  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.107   1.411   1.564  1.00  0.00           H  
HETATM   54  H   UNL     1       0.279   1.612   2.139  1.00  0.00           H  
HETATM   55  H   UNL     1       2.792   3.045  -0.122  1.00  0.00           H  
HETATM   56  H   UNL     1       2.426   2.582   1.557  1.00  0.00           H  
HETATM   57  H   UNL     1       2.546   0.187   0.923  1.00  0.00           H  
HETATM   58  H   UNL     1       2.912   0.650  -0.756  1.00  0.00           H  
HETATM   59  H   UNL     1       4.962   1.814   0.011  1.00  0.00           H  
HETATM   60  H   UNL     1       4.597   1.351   1.691  1.00  0.00           H  
HETATM   61  H   UNL     1       4.716  -1.043   1.056  1.00  0.00           H  
HETATM   62  H   UNL     1       5.082  -0.580  -0.623  1.00  0.00           H  
HETATM   63  H   UNL     1       6.769   0.209   1.795  1.00  0.00           H  
HETATM   64  H   UNL     1       6.873  -2.224   1.399  1.00  0.00           H  
HETATM   65  H   UNL     1       7.191  -1.943  -0.330  1.00  0.00           H  
HETATM   66  H   UNL     1       9.301  -2.388   0.888  1.00  0.00           H  
HETATM   67  H   UNL     1       8.960  -1.029   1.985  1.00  0.00           H  
HETATM   68  H   UNL     1      11.131  -0.030   1.163  1.00  0.00           H  
HETATM   69  H   UNL     1      11.301  -1.442   0.093  1.00  0.00           H  
HETATM   70  H   UNL     1      11.325   0.202  -0.591  1.00  0.00           H  
HETATM   71  H   UNL     1       8.982   1.230   1.140  1.00  0.00           H  
HETATM   72  H   UNL     1       9.339   1.530  -0.577  1.00  0.00           H  
HETATM   73  H   UNL     1       7.215   0.431  -1.218  1.00  0.00           H  
HETATM   74  H   UNL     1       6.912   1.783  -0.099  1.00  0.00           H  
CONECT    1   19    3    3   14                                       
CONECT    2   27   26   26   11                                       
CONECT    3   13    1    1    4                                       
CONECT    4    3   12   24   24                                       
CONECT    5   25   25   10   17                                       
CONECT    6   12    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9   12    8   43   44                                       
CONECT   10   11   11    5   45                                       
CONECT   11    2   10   10   46                                       
CONECT   12    6    4    9                                            
CONECT   13   17    3   47                                            
CONECT   14    1   22   23   23                                       
CONECT   15   34   33   35                                            
CONECT   16   17   17                                                 
CONECT   17    5   18   18   16                                       
CONECT   17   16   13                                                 
CONECT   18   17   17                                                 
CONECT   19   20   20    1   48                                       
CONECT   20   19   19   21   49                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   14                                            
CONECT   23   14   14   24   51                                       
CONECT   24    4    4   23   52                                       
CONECT   25   26    5    5   53                                       
CONECT   26    2    2   25   54                                       
CONECT   27   28    2   55   56                                       
CONECT   28   27   29   57   58                                       
CONECT   29   30   28   59   60                                       
CONECT   30   31   29   61   62                                       
CONECT   31   32   36   30   63                                       
CONECT   32   33   31   64   65                                       
CONECT   33   15   32   66   67                                       
CONECT   34   15   68   69   70                                       
CONECT   35   15   36   71   72                                       
CONECT   36   31   35   73   74                                       
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
