COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.354  -3.784  -2.404  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.695  -3.642  -1.681  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.737  -3.074  -2.647  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.154  -5.014  -1.184  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.141  -1.487  -0.818  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   0.765  -0.105  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.175   0.729  -0.788  1.00  0.00           C  
HETATM    8  C   UNL     1       1.561  -0.019  -0.658  1.00  0.00           C  
HETATM    9  C   UNL     1       2.693  -0.665   0.143  1.00  0.00           C  
HETATM   10  C   UNL     1       2.996  -2.788   1.386  1.00  0.00           C  
HETATM   11  C   UNL     1       2.764  -4.150   1.536  1.00  0.00           C  
HETATM   12  C   UNL     1       3.352  -4.838   2.579  1.00  0.00           C  
HETATM   13  C   UNL     1       4.171  -4.174   3.473  1.00  0.00           C  
HETATM   14  C   UNL     1       4.404  -2.818   3.327  1.00  0.00           C  
HETATM   15  C   UNL     1       3.819  -2.124   2.286  1.00  0.00           C  
HETATM   16  C   UNL     1       3.992  -0.506  -0.604  1.00  0.00           C  
HETATM   17  C   UNL     1       5.927   0.815  -1.273  1.00  0.00           C  
HETATM   18  C   UNL     1       6.470   2.202  -1.046  1.00  0.00           C  
HETATM   19  C   UNL     1       7.320   2.456   0.015  1.00  0.00           C  
HETATM   20  C   UNL     1       7.493   4.677  -0.570  1.00  0.00           C  
HETATM   21  C   UNL     1       6.654   4.498  -1.654  1.00  0.00           C  
HETATM   22  C   UNL     1       6.130   3.238  -1.901  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.558   1.438  -1.031  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.874   1.585  -0.312  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.913   0.737  -0.368  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.569   2.384   1.013  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.261   2.677   0.585  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.622   3.832   1.038  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.271   4.674   1.896  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.561   4.390   2.322  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.210   3.254   1.887  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.980  -0.603   0.186  1.00  0.00           N  
HETATM   33  N   UNL     1       2.407  -2.090   0.329  1.00  0.00           N  
HETATM   34  N   UNL     1       4.664   0.661  -0.547  1.00  0.00           N  
HETATM   35  N   UNL     1       7.799   3.667   0.220  1.00  0.00           N  
HETATM   36  N   UNL     1      -6.933   1.196   0.421  1.00  0.00           N  
HETATM   37  O   UNL     1      -3.543  -2.744  -0.551  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.924  -1.150  -1.965  1.00  0.00           O  
HETATM   39  O   UNL     1       4.433  -1.429  -1.256  1.00  0.00           O  
HETATM   40  S   UNL     1       0.028  -0.070   0.310  1.00  0.00           S  
HETATM   41  H   UNL     1      -1.611  -4.188  -1.716  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.468  -4.458  -3.253  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.026  -2.806  -2.758  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.851  -3.748  -3.496  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.692  -2.973  -2.132  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.410  -2.096  -3.001  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.411  -5.419  -0.497  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.109  -4.913  -0.670  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.268  -5.688  -2.033  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.470   1.329   0.825  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.248   0.165  -1.718  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.850   1.746  -1.004  1.00  0.00           H  
HETATM   53  H   UNL     1       1.818   1.018  -0.878  1.00  0.00           H  
HETATM   54  H   UNL     1       1.420  -0.564  -1.592  1.00  0.00           H  
HETATM   55  H   UNL     1       2.772  -0.181   1.117  1.00  0.00           H  
HETATM   56  H   UNL     1       2.124  -4.669   0.837  1.00  0.00           H  
HETATM   57  H   UNL     1       3.172  -5.897   2.696  1.00  0.00           H  
HETATM   58  H   UNL     1       4.629  -4.714   4.288  1.00  0.00           H  
HETATM   59  H   UNL     1       5.044  -2.302   4.028  1.00  0.00           H  
HETATM   60  H   UNL     1       4.002  -1.066   2.173  1.00  0.00           H  
HETATM   61  H   UNL     1       5.754   0.662  -2.338  1.00  0.00           H  
HETATM   62  H   UNL     1       6.646   0.079  -0.912  1.00  0.00           H  
HETATM   63  H   UNL     1       7.593   1.653   0.684  1.00  0.00           H  
HETATM   64  H   UNL     1       7.905   5.655  -0.371  1.00  0.00           H  
HETATM   65  H   UNL     1       6.407   5.329  -2.297  1.00  0.00           H  
HETATM   66  H   UNL     1       5.472   3.069  -2.740  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.190   2.423  -1.319  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.697   0.827  -1.923  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.940  -0.174  -0.948  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.618   4.060   0.712  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.777   5.568   2.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.062   5.065   3.000  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.214   3.042   2.224  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.154  -0.872   1.102  1.00  0.00           H  
HETATM   75  H   UNL     1       1.809  -2.549  -0.282  1.00  0.00           H  
HETATM   76  H   UNL     1       4.311   1.398  -0.025  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.788   0.752   0.541  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1   37    4                                       
CONECT    3    2   44   45   46                                       
CONECT    4    2   47   48   49                                       
CONECT    5   38   38   37   32                                       
CONECT    6   23   32    7   50                                       
CONECT    7    6   40   51   52                                       
CONECT    8    9   40   53   54                                       
CONECT    9   33   16    8   55                                       
CONECT   10   15   33   11   11                                       
CONECT   11   10   10   12   56                                       
CONECT   12   13   13   11   57                                       
CONECT   13   14   12   12   58                                       
CONECT   14   15   15   13   59                                       
CONECT   15   14   14   10   60                                       
CONECT   16   34   39   39    9                                       
CONECT   17   18   34   61   62                                       
CONECT   18   22   22   19   17                                       
CONECT   19   35   35   18   63                                       
CONECT   20   21   21   35   64                                       
CONECT   21   20   20   22   65                                       
CONECT   22   21   18   18   66                                       
CONECT   23   24    6   67   68                                       
CONECT   24   25   25   27   23                                       
CONECT   25   36   24   24   69                                       
CONECT   26   36   31   31   27                                       
CONECT   27   26   24   28   28                                       
CONECT   28   27   27   29   70                                       
CONECT   29   30   30   28   71                                       
CONECT   30   31   29   29   72                                       
CONECT   31   26   26   30   73                                       
CONECT   32    5    6   74                                            
CONECT   33   10    9   75                                            
CONECT   34   17   16   76                                            
CONECT   35   20   19   19                                            
CONECT   36   25   26   77                                            
CONECT   37    2    5                                                 
CONECT   38    5    5                                                 
CONECT   39   16   16                                                 
CONECT   40    7    8                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
