COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.873  -1.259   3.255  1.00  0.00           O  
HETATM    2  C   UNL     1       3.568  -0.930   3.432  1.00  0.00           C  
HETATM    3  C   UNL     1       2.606  -1.411   2.552  1.00  0.00           C  
HETATM    4  C   UNL     1       1.282  -1.080   2.728  1.00  0.00           C  
HETATM    5  C   UNL     1       0.904  -0.263   3.797  1.00  0.00           C  
HETATM    6  C   UNL     1       1.873   0.214   4.683  1.00  0.00           C  
HETATM    7  C   UNL     1       3.196  -0.122   4.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.514   0.094   3.990  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.841   0.804   4.920  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.448  -0.366   3.134  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.856  -0.012   3.325  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.553   0.022   1.989  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.669   1.085   1.945  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.471   1.117   3.264  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.718  -0.277   3.784  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.704  -0.587   4.810  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.578   0.319   0.955  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.535  -1.064   4.222  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.724  -0.202  -0.277  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.672  -0.920  -0.524  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.730   0.099  -1.330  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.644   0.929  -1.048  1.00  0.00           C  
HETATM   23  C   UNL     1       0.284   1.206  -2.027  1.00  0.00           C  
HETATM   24  C   UNL     1       0.132   0.665  -3.306  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.956  -0.160  -3.590  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.882  -0.441  -2.609  1.00  0.00           C  
HETATM   27  C   UNL     1       1.127   0.966  -4.359  1.00  0.00           C  
HETATM   28  O   UNL     1       2.008   1.777  -4.149  1.00  0.00           O  
HETATM   29  C   UNL     1       1.049   0.284  -5.663  1.00  0.00           C  
HETATM   30  C   UNL     1       0.951   1.030  -6.842  1.00  0.00           C  
HETATM   31  C   UNL     1       0.879   0.383  -8.061  1.00  0.00           C  
HETATM   32  O   UNL     1       0.783   1.107  -9.208  1.00  0.00           O  
HETATM   33  C   UNL     1       0.904  -1.005  -8.118  1.00  0.00           C  
HETATM   34  C   UNL     1       1.000  -1.750  -6.960  1.00  0.00           C  
HETATM   35  C   UNL     1       1.079  -1.116  -5.729  1.00  0.00           C  
HETATM   36  O   UNL     1       1.174  -1.849  -4.591  1.00  0.00           O  
HETATM   37  C   UNL     1       4.242   0.392   5.455  1.00  0.00           C  
HETATM   38  C   UNL     1       3.928  -0.099   6.869  1.00  0.00           C  
HETATM   39  C   UNL     1       4.243   1.922   5.435  1.00  0.00           C  
HETATM   40  C   UNL     1       4.990   0.423   7.838  1.00  0.00           C  
HETATM   41  C   UNL     1       0.727   0.169 -10.285  1.00  0.00           C  
HETATM   42  H   UNL     1       5.257  -0.579   2.684  1.00  0.00           H  
HETATM   43  H   UNL     1       2.899  -2.043   1.726  1.00  0.00           H  
HETATM   44  H   UNL     1       0.535  -1.451   2.041  1.00  0.00           H  
HETATM   45  H   UNL     1       1.585   0.845   5.510  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.187  -0.933   2.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.924   0.967   3.797  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.989  -0.957   1.794  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.346   0.858   1.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.220   2.064   1.778  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.428   1.608   3.088  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.912   1.683   4.009  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.640  -0.991   2.965  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.713  -0.331   4.226  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.077  -1.341   5.367  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.776  -1.940   3.618  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.840  -1.360   5.007  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.527   1.348  -0.059  1.00  0.00           H  
HETATM   59  H   UNL     1       1.126   1.845  -1.808  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.073  -0.579  -4.578  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.725  -1.080  -2.828  1.00  0.00           H  
HETATM   62  H   UNL     1       0.931   2.109  -6.800  1.00  0.00           H  
HETATM   63  H   UNL     1       0.847  -1.504  -9.074  1.00  0.00           H  
HETATM   64  H   UNL     1       1.019  -2.828  -7.012  1.00  0.00           H  
HETATM   65  H   UNL     1       2.117  -1.983  -4.423  1.00  0.00           H  
HETATM   66  H   UNL     1       5.223   0.024   5.152  1.00  0.00           H  
HETATM   67  H   UNL     1       3.927  -1.188   6.883  1.00  0.00           H  
HETATM   68  H   UNL     1       2.947   0.268   7.172  1.00  0.00           H  
HETATM   69  H   UNL     1       3.262   2.290   5.737  1.00  0.00           H  
HETATM   70  H   UNL     1       4.999   2.294   6.125  1.00  0.00           H  
HETATM   71  H   UNL     1       4.467   2.272   4.427  1.00  0.00           H  
HETATM   72  H   UNL     1       4.766   0.073   8.846  1.00  0.00           H  
HETATM   73  H   UNL     1       5.970   0.055   7.536  1.00  0.00           H  
HETATM   74  H   UNL     1       4.990   1.513   7.824  1.00  0.00           H  
HETATM   75  H   UNL     1       0.649   0.706 -11.230  1.00  0.00           H  
HETATM   76  H   UNL     1       1.632  -0.438 -10.285  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.143  -0.474 -10.160  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   43                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   45                                       
CONECT    7    2    6    6   37                                       
CONECT    8    5    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   46                                            
CONECT   11   10   12   18   47                                       
CONECT   12   11   13   17   48                                       
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   18   55                                            
CONECT   17   12   19                                                 
CONECT   18   11   16   56   57                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   26   26                                       
CONECT   22   21   23   23   58                                       
CONECT   23   22   22   24   59                                       
CONECT   24   23   25   25   27                                       
CONECT   25   24   24   26   60                                       
CONECT   26   21   21   25   61                                       
CONECT   27   24   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   35   35                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   41                                                 
CONECT   33   31   34   34   63                                       
CONECT   34   33   33   35   64                                       
CONECT   35   29   29   34   36                                       
CONECT   36   35   65                                                 
CONECT   37    7   38   39   66                                       
CONECT   38   37   40   67   68                                       
CONECT   39   37   69   70   71                                       
CONECT   40   38   72   73   74                                       
CONECT   41   32   75   76   77                                       
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
