COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.350   2.170   6.455  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.888   0.914   5.984  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.693   0.196   5.317  1.00  0.00           C  
HETATM    4  C   UNL     1       0.546   0.825   5.990  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.045   1.849   6.984  1.00  0.00           C  
HETATM    6  C   UNL     1       0.829   3.103   7.041  1.00  0.00           C  
HETATM    7  O   UNL     1       0.246   4.051   7.938  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.679   0.450   3.875  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.245  -0.433   3.029  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.767  -1.438   3.462  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.230  -0.172   1.545  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.887  -1.244   0.866  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.268  -0.890   0.774  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.021  -1.986   0.064  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.573  -3.026   0.788  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.264  -4.031   0.137  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.402  -3.996  -1.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.851  -2.955  -1.961  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.164  -1.948  -1.309  1.00  0.00           C  
HETATM   20  C   UNL     1       0.216  -0.071   1.059  1.00  0.00           C  
HETATM   21  O   UNL     1       0.873   1.001   1.738  1.00  0.00           O  
HETATM   22  C   UNL     1       0.232   0.194  -0.446  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.449   1.420  -0.721  1.00  0.00           O  
HETATM   24  C   UNL     1       1.679   0.295  -0.932  1.00  0.00           C  
HETATM   25  C   UNL     1       1.694   0.556  -2.416  1.00  0.00           C  
HETATM   26  N   UNL     1       1.106   1.663  -2.911  1.00  0.00           N  
HETATM   27  C   UNL     1       1.121   1.917  -4.354  1.00  0.00           C  
HETATM   28  C   UNL     1       1.076   3.435  -4.631  1.00  0.00           C  
HETATM   29  C   UNL     1       0.235   3.511  -5.923  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.639   2.276  -5.899  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.128   1.358  -4.999  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.771   0.147  -4.811  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.918  -0.148  -5.521  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.427   0.767  -6.423  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.788   1.977  -6.611  1.00  0.00           C  
HETATM   36  O   UNL     1       0.434   4.128  -3.560  1.00  0.00           O  
HETATM   37  O   UNL     1       2.235  -0.229  -3.165  1.00  0.00           O  
HETATM   38  O   UNL     1       2.360  -0.930  -0.657  1.00  0.00           O  
HETATM   39  C   UNL     1       3.734  -0.601  -0.446  1.00  0.00           C  
HETATM   40  C   UNL     1       4.512  -1.857  -0.149  1.00  0.00           C  
HETATM   41  C   UNL     1       5.084  -2.576  -1.183  1.00  0.00           C  
HETATM   42  C   UNL     1       5.797  -3.728  -0.911  1.00  0.00           C  
HETATM   43  C   UNL     1       5.940  -4.161   0.393  1.00  0.00           C  
HETATM   44  C   UNL     1       5.369  -3.442   1.426  1.00  0.00           C  
HETATM   45  C   UNL     1       4.660  -2.287   1.155  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.680   1.089   5.256  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.264   0.327   6.822  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.733  -0.874   5.515  1.00  0.00           H  
HETATM   49  H   UNL     1       1.168   1.328   5.250  1.00  0.00           H  
HETATM   50  H   UNL     1       1.119   0.065   6.521  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.136   1.406   7.976  1.00  0.00           H  
HETATM   52  H   UNL     1       0.901   3.541   6.046  1.00  0.00           H  
HETATM   53  H   UNL     1       1.825   2.835   7.393  1.00  0.00           H  
HETATM   54  H   UNL     1       0.827   4.824   7.944  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.262   1.254   3.528  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.750   0.763   1.335  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.677  -0.759   1.776  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.369   0.039   0.216  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.465  -3.054   1.862  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.695  -4.844   0.702  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.941  -4.781  -1.746  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.959  -2.927  -3.035  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.733  -1.135  -1.875  1.00  0.00           H  
HETATM   64  H   UNL     1       0.736  -1.006   1.269  1.00  0.00           H  
HETATM   65  H   UNL     1       0.383   1.807   1.527  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.268  -0.623  -0.964  1.00  0.00           H  
HETATM   67  H   UNL     1       0.024   2.115  -0.245  1.00  0.00           H  
HETATM   68  H   UNL     1       2.180   1.113  -0.414  1.00  0.00           H  
HETATM   69  H   UNL     1       0.674   2.292  -2.312  1.00  0.00           H  
HETATM   70  H   UNL     1       2.009   1.476  -4.806  1.00  0.00           H  
HETATM   71  H   UNL     1       2.079   3.828  -4.798  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.380   4.411  -5.920  1.00  0.00           H  
HETATM   73  H   UNL     1       0.884   3.499  -6.798  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.374  -0.568  -4.107  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.417  -1.095  -5.372  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.324   0.537  -6.979  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.187   2.692  -7.316  1.00  0.00           H  
HETATM   78  H   UNL     1       0.438   5.067  -3.792  1.00  0.00           H  
HETATM   79  H   UNL     1       4.137  -0.127  -1.341  1.00  0.00           H  
HETATM   80  H   UNL     1       3.818   0.085   0.396  1.00  0.00           H  
HETATM   81  H   UNL     1       4.972  -2.238  -2.202  1.00  0.00           H  
HETATM   82  H   UNL     1       6.243  -4.291  -1.718  1.00  0.00           H  
HETATM   83  H   UNL     1       6.497  -5.062   0.605  1.00  0.00           H  
HETATM   84  H   UNL     1       5.481  -3.780   2.446  1.00  0.00           H  
HETATM   85  H   UNL     1       4.214  -1.725   1.962  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3   46   47                                       
CONECT    3    2    4    8   48                                       
CONECT    4    3    5   49   50                                       
CONECT    5    1    4    6   51                                       
CONECT    6    5    7   52   53                                       
CONECT    7    6   54                                                 
CONECT    8    3    9   55                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   20   56                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16   59                                       
CONECT   16   15   17   17   60                                       
CONECT   17   16   16   18   61                                       
CONECT   18   17   19   19   62                                       
CONECT   19   14   18   18   63                                       
CONECT   20   11   21   22   64                                       
CONECT   21   20   65                                                 
CONECT   22   20   23   24   66                                       
CONECT   23   22   67                                                 
CONECT   24   22   25   38   68                                       
CONECT   25   24   26   37   37                                       
CONECT   26   25   27   69                                            
CONECT   27   26   28   31   70                                       
CONECT   28   27   29   36   71                                       
CONECT   29   28   30   72   73                                       
CONECT   30   29   31   31   35                                       
CONECT   31   27   30   30   32                                       
CONECT   32   31   33   33   74                                       
CONECT   33   32   32   34   75                                       
CONECT   34   33   35   35   76                                       
CONECT   35   30   34   34   77                                       
CONECT   36   28   78                                                 
CONECT   37   25   25                                                 
CONECT   38   24   39                                                 
CONECT   39   38   40   79   80                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   81                                       
CONECT   42   41   43   43   82                                       
CONECT   43   42   42   44   83                                       
CONECT   44   43   45   45   84                                       
CONECT   45   40   44   44   85                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
