COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.488  -2.273  -0.435  1.00  0.00           C  
HETATM    2  C   UNL     1       2.376  -1.448  -0.342  1.00  0.00           C  
HETATM    3  C   UNL     1       2.510  -0.155   0.159  1.00  0.00           C  
HETATM    4  C   UNL     1       3.763   0.320   0.571  1.00  0.00           C  
HETATM    5  C   UNL     1       4.874  -0.491   0.482  1.00  0.00           C  
HETATM    6  C   UNL     1       4.746  -1.795  -0.022  1.00  0.00           C  
HETATM    7  C   UNL     1       1.325   0.720   0.257  1.00  0.00           C  
HETATM    8  N   UNL     1       0.119   0.267  -0.138  1.00  0.00           N  
HETATM    9  O   UNL     1       1.438   1.849   0.693  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.057   1.135  -0.041  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.144   2.018  -1.288  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.319   0.276   0.064  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.493  -0.464  -1.147  1.00  0.00           O  
HETATM   14  C   UNL     1       0.039   2.951  -1.326  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.533   1.178   0.290  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.725   0.348   0.510  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.914   1.183   0.731  1.00  0.00           C  
HETATM   18  C   UNL     1       1.204   2.565  -1.962  1.00  0.00           C  
HETATM   19  C   UNL     1       2.289   3.421  -1.997  1.00  0.00           C  
HETATM   20  C   UNL     1       2.209   4.663  -1.395  1.00  0.00           C  
HETATM   21  C   UNL     1       1.043   5.049  -0.760  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.043   4.195  -0.729  1.00  0.00           C  
HETATM   23  N   UNL     1       3.671  -3.564  -0.882  1.00  0.00           N  
HETATM   24  C   UNL     1       8.433   0.617   0.749  1.00  0.00           C  
HETATM   25  C   UNL     1       7.988   0.480   2.224  1.00  0.00           C  
HETATM   26  C   UNL     1       6.609  -0.136   2.140  1.00  0.00           C  
HETATM   27  N   UNL     1       6.124  -0.016   0.892  1.00  0.00           N  
HETATM   28  C   UNL     1       7.075   0.678   0.015  1.00  0.00           C  
HETATM   29  O   UNL     1       6.025  -0.662   3.064  1.00  0.00           O  
HETATM   30  C   UNL     1       4.986  -3.915  -0.760  1.00  0.00           C  
HETATM   31  C   UNL     1       5.689  -2.890  -0.247  1.00  0.00           C  
HETATM   32  C   UNL     1       2.416  -4.146  -2.898  1.00  0.00           C  
HETATM   33  C   UNL     1       2.614  -4.430  -1.408  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.987  -0.918   0.082  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.318  -1.325   1.367  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.547  -0.919   2.438  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.446  -0.108   2.232  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.114   0.299   0.953  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.882  -0.105  -0.123  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.740  -1.321  -0.975  1.00  0.00           O  
HETATM   41  C   UNL     1     -10.860  -2.163  -0.690  1.00  0.00           C  
HETATM   42  H   UNL     1       1.408  -1.808  -0.657  1.00  0.00           H  
HETATM   43  H   UNL     1       3.858   1.324   0.957  1.00  0.00           H  
HETATM   44  H   UNL     1       6.749  -2.877  -0.043  1.00  0.00           H  
HETATM   45  H   UNL     1       0.029  -0.634  -0.486  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.972   1.765   0.845  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.140   1.390  -2.179  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.065   2.600  -1.258  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.219  -0.416   0.901  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.589   0.089  -1.934  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.361   1.806   1.164  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.686   1.808  -0.586  1.00  0.00           H  
HETATM   53  H   UNL     1       1.266   1.595  -2.432  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.954   4.498  -0.235  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.869  -0.289  -0.259  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.759   1.811   1.609  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.083   1.813  -0.142  1.00  0.00           H  
HETATM   58  H   UNL     1       3.199   3.119  -2.494  1.00  0.00           H  
HETATM   59  H   UNL     1       3.056   5.332  -1.422  1.00  0.00           H  
HETATM   60  H   UNL     1       0.981   6.019  -0.289  1.00  0.00           H  
HETATM   61  H   UNL     1       5.400  -4.873  -1.037  1.00  0.00           H  
HETATM   62  H   UNL     1       2.897  -5.474  -1.272  1.00  0.00           H  
HETATM   63  H   UNL     1       1.684  -4.234  -0.874  1.00  0.00           H  
HETATM   64  H   UNL     1       8.667  -0.177   2.768  1.00  0.00           H  
HETATM   65  H   UNL     1       7.940   1.459   2.700  1.00  0.00           H  
HETATM   66  H   UNL     1       2.132  -3.102  -3.035  1.00  0.00           H  
HETATM   67  H   UNL     1       3.346  -4.342  -3.432  1.00  0.00           H  
HETATM   68  H   UNL     1       1.629  -4.791  -3.290  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.177  -1.958   1.528  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.622   0.213  -1.122  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.804  -1.235   3.438  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.845   0.209   3.071  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.513  -3.079  -0.212  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.546  -1.641  -0.023  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.374  -2.410  -1.619  1.00  0.00           H  
HETATM   76  H   UNL     1       9.001   1.534   0.597  1.00  0.00           H  
HETATM   77  H   UNL     1       9.008  -0.254   0.433  1.00  0.00           H  
HETATM   78  H   UNL     1       6.770   1.714  -0.127  1.00  0.00           H  
HETATM   79  H   UNL     1       7.142   0.168  -0.946  1.00  0.00           H  
CONECT    1    2    6    6   23                                       
CONECT    2    1    3    3   42                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    6   27                                       
CONECT    6    1    1    5   31                                       
CONECT    7    3    8    9    9                                       
CONECT    8    7   10   45                                            
CONECT    9    7    7                                                 
CONECT   10    8   11   12   46                                       
CONECT   11   10   14   47   48                                       
CONECT   12   10   13   15   49                                       
CONECT   13   12   50                                                 
CONECT   14   11   18   22   22                                       
CONECT   15   12   16   51   52                                       
CONECT   16   15   17   55                                            
CONECT   17   16   38   56   57                                       
CONECT   18   14   19   19   53                                       
CONECT   19   18   18   20   58                                       
CONECT   20   19   21   21   59                                       
CONECT   21   20   20   22   60                                       
CONECT   22   14   14   21   54                                       
CONECT   23    1   30   33                                            
CONECT   24   25   28   76   77                                       
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   29   29                                       
CONECT   27    5   26   28                                            
CONECT   28   24   27   78   79                                       
CONECT   29   26   26                                                 
CONECT   30   23   31   31   61                                       
CONECT   31    6   30   30   44                                       
CONECT   32   33   66   67   68                                       
CONECT   33   23   32   62   63                                       
CONECT   34   35   39   39   40                                       
CONECT   35   34   36   36   69                                       
CONECT   36   35   35   37   71                                       
CONECT   37   36   38   38   72                                       
CONECT   38   17   37   37   39                                       
CONECT   39   34   34   38   70                                       
CONECT   40   34   41                                                 
CONECT   41   40   73   74   75                                       
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44   31                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   39                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
