COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.635   1.669  -0.361  1.00  0.00           C  
HETATM    2  C   UNL     1       3.890   2.421  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       4.477   3.073  -1.256  1.00  0.00           C  
HETATM    4  C   UNL     1       5.822   3.716  -0.911  1.00  0.00           C  
HETATM    5  C   UNL     1       6.795   2.639  -0.426  1.00  0.00           C  
HETATM    6  C   UNL     1       6.234   1.982   0.839  1.00  0.00           C  
HETATM    7  C   UNL     1       4.788  -0.943  -0.715  1.00  0.00           C  
HETATM    8  C   UNL     1       4.455  -2.405  -0.568  1.00  0.00           C  
HETATM    9  C   UNL     1       3.177  -2.853  -0.843  1.00  0.00           C  
HETATM   10  C   UNL     1       2.871  -4.195  -0.707  1.00  0.00           C  
HETATM   11  C   UNL     1       3.843  -5.087  -0.296  1.00  0.00           C  
HETATM   12  C   UNL     1       5.121  -4.638  -0.021  1.00  0.00           C  
HETATM   13  C   UNL     1       5.429  -3.298  -0.162  1.00  0.00           C  
HETATM   14  C   UNL     1       0.221   1.356  -0.245  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.985   2.033   0.410  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.240   1.282   0.049  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.583   0.934   0.283  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.495  -0.450   0.224  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.633  -1.209  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.250  -3.140   0.119  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.863  -0.583  -0.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.717  -1.750   0.764  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.951   0.803  -0.105  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.170   2.843  -0.193  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.812   1.559   0.119  1.00  0.00           C  
HETATM   26  N   UNL     1       4.880   1.488   0.555  1.00  0.00           N  
HETATM   27  N   UNL     1       1.441   2.087   0.106  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.433   1.699   0.516  1.00  0.00           N  
HETATM   29  O   UNL     1       2.698   0.692  -1.076  1.00  0.00           O  
HETATM   30  O   UNL     1       3.084  -0.049   1.133  1.00  0.00           O  
HETATM   31  O   UNL     1       5.410  -0.508   1.843  1.00  0.00           O  
HETATM   32  O   UNL     1      -5.546  -2.565  -0.059  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.982  -1.327  -0.386  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.154   1.416  -0.267  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.177   0.301  -0.662  1.00  0.00           O  
HETATM   36  S   UNL     1       4.477  -0.090   0.855  1.00  0.00           S  
HETATM   37  H   UNL     1       3.657   3.189   0.737  1.00  0.00           H  
HETATM   38  H   UNL     1       4.623   2.314  -2.025  1.00  0.00           H  
HETATM   39  H   UNL     1       3.792   3.837  -1.624  1.00  0.00           H  
HETATM   40  H   UNL     1       6.231   4.202  -1.797  1.00  0.00           H  
HETATM   41  H   UNL     1       5.679   4.457  -0.124  1.00  0.00           H  
HETATM   42  H   UNL     1       6.920   1.885  -1.203  1.00  0.00           H  
HETATM   43  H   UNL     1       7.760   3.094  -0.202  1.00  0.00           H  
HETATM   44  H   UNL     1       6.873   1.149   1.133  1.00  0.00           H  
HETATM   45  H   UNL     1       6.197   2.715   1.645  1.00  0.00           H  
HETATM   46  H   UNL     1       5.839  -0.835  -0.985  1.00  0.00           H  
HETATM   47  H   UNL     1       4.166  -0.505  -1.496  1.00  0.00           H  
HETATM   48  H   UNL     1       2.417  -2.156  -1.165  1.00  0.00           H  
HETATM   49  H   UNL     1       1.872  -4.545  -0.923  1.00  0.00           H  
HETATM   50  H   UNL     1       3.603  -6.134  -0.185  1.00  0.00           H  
HETATM   51  H   UNL     1       5.881  -5.336   0.301  1.00  0.00           H  
HETATM   52  H   UNL     1       6.427  -2.948   0.053  1.00  0.00           H  
HETATM   53  H   UNL     1       0.298   0.329   0.111  1.00  0.00           H  
HETATM   54  H   UNL     1       0.095   1.358  -1.328  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.859   2.032   1.492  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.062   3.061   0.054  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.539  -0.936   0.352  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.862  -2.864   1.099  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.322  -4.225   0.049  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.579  -2.769  -0.655  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.583  -2.333   0.448  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.078  -2.363   1.399  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.053  -0.875   1.322  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.188   3.203  -0.339  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.808   3.160   0.785  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.525   3.254  -0.970  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.880   2.636   0.170  1.00  0.00           H  
HETATM   68  H   UNL     1       1.391   2.871   0.674  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.496   2.530   1.013  1.00  0.00           H  
CONECT    1    2   29   29   27                                       
CONECT    2    3   26    1   37                                       
CONECT    3    2    4   38   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5   26   44   45                                       
CONECT    7   36    8   46   47                                       
CONECT    8   13   13    9    7                                       
CONECT    9   10   10    8   48                                       
CONECT   10   11    9    9   49                                       
CONECT   11   12   12   10   50                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12    8    8   52                                       
CONECT   14   27   15   53   54                                       
CONECT   15   14   16   55   56                                       
CONECT   16   35   35   28   15                                       
CONECT   17   18   18   25   28                                       
CONECT   18   19   17   17   57                                       
CONECT   19   32   21   21   18                                       
CONECT   20   32   58   59   60                                       
CONECT   21   33   19   19   23                                       
CONECT   22   33   61   62   63                                       
CONECT   23   21   34   25   25                                       
CONECT   24   34   64   65   66                                       
CONECT   25   23   23   17   67                                       
CONECT   26   36    2    6                                            
CONECT   27    1   14   68                                            
CONECT   28   16   17   69                                            
CONECT   29    1    1                                                 
CONECT   30   36   36                                                 
CONECT   31   36   36                                                 
CONECT   32   20   19                                                 
CONECT   33   21   22                                                 
CONECT   34   24   23                                                 
CONECT   35   16   16                                                 
CONECT   36   30   30   31   31                                       
CONECT   36   26    7                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
