COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.030   0.904   1.596  1.00  0.00           C  
HETATM    2  C   UNL     1       0.584   2.312   1.825  1.00  0.00           C  
HETATM    3  C   UNL     1       2.061   2.317   1.524  1.00  0.00           C  
HETATM    4  C   UNL     1       4.296   1.692   2.115  1.00  0.00           C  
HETATM    5  C   UNL     1       2.942   1.696   2.390  1.00  0.00           C  
HETATM    6  C   UNL     1       6.532   0.945   0.779  1.00  0.00           C  
HETATM    7  C   UNL     1       6.295   0.252  -0.564  1.00  0.00           C  
HETATM    8  C   UNL     1       5.819  -1.182  -0.322  1.00  0.00           C  
HETATM    9  C   UNL     1       4.365  -1.300  -0.700  1.00  0.00           C  
HETATM   10  C   UNL     1       2.061  -1.803  -0.198  1.00  0.00           C  
HETATM   11  C   UNL     1       1.193  -1.091   0.806  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.271  -0.319   0.194  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.468  -0.143   1.020  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.832  -2.715   2.634  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.044  -0.518   3.526  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.284   1.223  -2.089  1.00  0.00           C  
HETATM   17  C   UNL     1       2.533   2.940   0.383  1.00  0.00           C  
HETATM   18  C   UNL     1       3.886   2.940   0.104  1.00  0.00           C  
HETATM   19  C   UNL     1       4.771   2.313   0.969  1.00  0.00           C  
HETATM   20  O   UNL     1       6.102   2.306   0.695  1.00  0.00           O  
HETATM   21  O   UNL     1       3.996  -1.030  -1.823  1.00  0.00           O  
HETATM   22  N   UNL     1       3.470  -1.714   0.242  1.00  0.00           N  
HETATM   23  C   UNL     1       1.644  -3.273  -0.291  1.00  0.00           C  
HETATM   24  C   UNL     1       2.443  -3.954  -1.372  1.00  0.00           C  
HETATM   25  O   UNL     1       3.264  -3.327  -2.006  1.00  0.00           O  
HETATM   26  N   UNL     1       2.244  -5.261  -1.634  1.00  0.00           N  
HETATM   27  O   UNL     1       0.781  -1.684   1.780  1.00  0.00           O  
HETATM   28  N   UNL     1       0.874   0.205   0.623  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.399   0.999   1.057  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.221   1.683   2.005  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.952  -0.409   0.825  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.957  -1.509   1.506  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.279  -1.339   2.257  1.00  0.00           C  
HETATM   34  S   UNL     1      -3.409  -0.415  -1.453  1.00  0.00           S  
HETATM   35  O   UNL     1      -2.241  -1.092  -1.900  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.745  -0.827  -1.705  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.049   1.740  -2.431  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.951   3.026  -2.930  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.089   3.794  -3.087  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.325   3.277  -2.747  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.423   1.990  -2.252  1.00  0.00           C  
HETATM   42  H   UNL     1       0.028   0.355   2.537  1.00  0.00           H  
HETATM   43  H   UNL     1       0.076   3.016   1.166  1.00  0.00           H  
HETATM   44  H   UNL     1       0.423   2.603   2.864  1.00  0.00           H  
HETATM   45  H   UNL     1       4.984   1.207   2.792  1.00  0.00           H  
HETATM   46  H   UNL     1       2.572   1.213   3.282  1.00  0.00           H  
HETATM   47  H   UNL     1       7.594   0.913   1.021  1.00  0.00           H  
HETATM   48  H   UNL     1       5.966   0.433   1.557  1.00  0.00           H  
HETATM   49  H   UNL     1       5.535   0.797  -1.125  1.00  0.00           H  
HETATM   50  H   UNL     1       7.224   0.235  -1.134  1.00  0.00           H  
HETATM   51  H   UNL     1       6.409  -1.868  -0.930  1.00  0.00           H  
HETATM   52  H   UNL     1       5.942  -1.433   0.732  1.00  0.00           H  
HETATM   53  H   UNL     1       1.953  -1.331  -1.175  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.250   0.334   0.430  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.227   0.484   1.879  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.774  -2.594   3.169  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.000  -3.300   1.730  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.115  -3.231   3.273  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.327  -1.035   4.165  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.650   0.462   3.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.986  -0.397   4.061  1.00  0.00           H  
HETATM   62  H   UNL     1       1.843   3.428  -0.289  1.00  0.00           H  
HETATM   63  H   UNL     1       4.254   3.426  -0.787  1.00  0.00           H  
HETATM   64  H   UNL     1       3.741  -1.938   1.146  1.00  0.00           H  
HETATM   65  H   UNL     1       1.832  -3.764   0.664  1.00  0.00           H  
HETATM   66  H   UNL     1       0.582  -3.335  -0.529  1.00  0.00           H  
HETATM   67  H   UNL     1       1.587  -5.763  -1.127  1.00  0.00           H  
HETATM   68  H   UNL     1       2.757  -5.700  -2.330  1.00  0.00           H  
HETATM   69  H   UNL     1       1.205   0.678  -0.156  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.397   1.547   0.115  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.196   1.166   2.821  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.041  -0.926   1.781  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.275  -0.963   0.174  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.214  -1.944   2.174  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.107  -2.167   0.650  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.996  -0.822   1.618  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.159   1.140  -2.307  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.986   3.430  -3.196  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.013   4.799  -3.477  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.214   3.877  -2.870  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.389   1.585  -1.986  1.00  0.00           H  
CONECT    1    2   28   29   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2    5    5   17                                       
CONECT    4    5   19   19   45                                       
CONECT    5    3    3    4   46                                       
CONECT    6    7   20   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   21   21   22                                       
CONECT   10   11   22   23   53                                       
CONECT   11   10   27   27   28                                       
CONECT   12   13   31   34                                            
CONECT   13   12   32   54   55                                       
CONECT   14   33   56   57   58                                       
CONECT   15   33   59   60   61                                       
CONECT   16   34   37   37   41                                       
CONECT   17    3   18   18   62                                       
CONECT   18   17   17   19   63                                       
CONECT   19    4    4   18   20                                       
CONECT   20    6   19                                                 
CONECT   21    9    9                                                 
CONECT   22    9   10   64                                            
CONECT   23   10   24   65   66                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   67   68                                            
CONECT   27   11   11                                                 
CONECT   28    1   11   69                                            
CONECT   29    1   30   31   70                                       
CONECT   30   29   71                                                 
CONECT   31   12   29   72   73                                       
CONECT   32   13   33   74   75                                       
CONECT   33   14   15   32   76                                       
CONECT   34   12   16   35   35                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   16   16   38   77                                       
CONECT   38   37   39   39   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   41   41   80                                       
CONECT   41   16   40   40   81                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
