COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.633  -1.013   0.400  1.00  0.00           C  
HETATM    2  O   UNL     1       3.150  -1.496   1.401  1.00  0.00           O  
HETATM    3  C   UNL     1       4.798  -1.690  -0.276  1.00  0.00           C  
HETATM    4  C   UNL     1       5.172  -2.955   0.498  1.00  0.00           C  
HETATM    5  C   UNL     1       6.338  -3.631  -0.177  1.00  0.00           C  
HETATM    6  C   UNL     1       7.631  -3.306   0.186  1.00  0.00           C  
HETATM    7  C   UNL     1       8.700  -3.926  -0.434  1.00  0.00           C  
HETATM    8  C   UNL     1       8.475  -4.872  -1.416  1.00  0.00           C  
HETATM    9  C   UNL     1       7.182  -5.198  -1.779  1.00  0.00           C  
HETATM   10  C   UNL     1       6.113  -4.582  -1.156  1.00  0.00           C  
HETATM   11  C   UNL     1       1.924   0.721   0.476  1.00  0.00           C  
HETATM   12  C   UNL     1       1.860   2.206   0.113  1.00  0.00           C  
HETATM   13  C   UNL     1       3.010   2.932   0.763  1.00  0.00           C  
HETATM   14  C   UNL     1       2.341   4.968  -0.425  1.00  0.00           C  
HETATM   15  C   UNL     1       3.199   5.635  -1.504  1.00  0.00           C  
HETATM   16  C   UNL     1       4.267   6.504  -0.836  1.00  0.00           C  
HETATM   17  C   UNL     1       5.174   5.626   0.029  1.00  0.00           C  
HETATM   18  C   UNL     1       4.338   4.959   1.125  1.00  0.00           C  
HETATM   19  O   UNL     1       0.822  -0.888  -0.854  1.00  0.00           O  
HETATM   20  C   UNL     1       0.701   0.020  -0.059  1.00  0.00           C  
HETATM   21  N   UNL     1       3.220   4.236   0.498  1.00  0.00           N  
HETATM   22  O   UNL     1       3.745   2.342   1.526  1.00  0.00           O  
HETATM   23  N   UNL     1       3.125   0.125  -0.113  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.327  -1.150   1.995  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.526   0.403   0.346  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.714  -0.278  -0.174  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.900   0.649  -0.094  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.765   1.768   0.352  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.990  -1.531   0.660  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.604  -2.252   2.862  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.747  -0.846  -2.004  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.044   0.046  -2.756  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.335  -1.124  -0.690  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.775  -0.753   1.145  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.187  -0.475  -0.170  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.480  -1.641   1.898  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.109   0.234  -0.520  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.262   1.135  -0.443  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.484   0.434  -0.978  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.920   0.688  -2.242  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.608  -2.279   1.386  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.038  -2.034   0.118  1.00  0.00           C  
HETATM   43  H   UNL     1       4.522  -1.956  -1.296  1.00  0.00           H  
HETATM   44  H   UNL     1       5.651  -1.011  -0.296  1.00  0.00           H  
HETATM   45  H   UNL     1       5.449  -2.689   1.518  1.00  0.00           H  
HETATM   46  H   UNL     1       4.320  -3.634   0.518  1.00  0.00           H  
HETATM   47  H   UNL     1       7.807  -2.566   0.953  1.00  0.00           H  
HETATM   48  H   UNL     1       9.710  -3.671  -0.151  1.00  0.00           H  
HETATM   49  H   UNL     1       9.310  -5.356  -1.901  1.00  0.00           H  
HETATM   50  H   UNL     1       7.006  -5.937  -2.547  1.00  0.00           H  
HETATM   51  H   UNL     1       5.102  -4.836  -1.439  1.00  0.00           H  
HETATM   52  H   UNL     1       1.959   0.613   1.560  1.00  0.00           H  
HETATM   53  H   UNL     1       1.926   2.318  -0.970  1.00  0.00           H  
HETATM   54  H   UNL     1       0.919   2.626   0.465  1.00  0.00           H  
HETATM   55  H   UNL     1       1.787   5.729   0.124  1.00  0.00           H  
HETATM   56  H   UNL     1       1.642   4.273  -0.892  1.00  0.00           H  
HETATM   57  H   UNL     1       3.682   4.868  -2.111  1.00  0.00           H  
HETATM   58  H   UNL     1       2.568   6.256  -2.139  1.00  0.00           H  
HETATM   59  H   UNL     1       4.864   6.999  -1.602  1.00  0.00           H  
HETATM   60  H   UNL     1       3.784   7.254  -0.210  1.00  0.00           H  
HETATM   61  H   UNL     1       5.638   4.859  -0.592  1.00  0.00           H  
HETATM   62  H   UNL     1       5.948   6.242   0.486  1.00  0.00           H  
HETATM   63  H   UNL     1       4.959   4.257   1.682  1.00  0.00           H  
HETATM   64  H   UNL     1       3.947   5.720   1.801  1.00  0.00           H  
HETATM   65  H   UNL     1       3.555   0.549  -0.872  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.545  -0.563  -1.212  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.100  -2.161   0.675  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.819  -2.085   0.220  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.851  -1.879   3.856  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.446  -2.821   2.468  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.727  -2.896   2.923  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.623   1.129   0.982  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.619  -1.333  -2.414  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.363   0.258  -3.766  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.902  -0.267   1.554  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.161  -1.853   2.907  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.217  -0.661  -0.878  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.431   1.420   0.595  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.065   2.028  -1.037  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.380   1.391  -2.860  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.150  -2.979   2.005  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.914  -2.536  -0.265  1.00  0.00           H  
CONECT    1   23    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   43   44                                       
CONECT    4    5    3   45   46                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   47                                       
CONECT    7    8    8    6   48                                       
CONECT    8    9    7    7   49                                       
CONECT    9   10   10    8   50                                       
CONECT   10    9    9    5   51                                       
CONECT   11   20   12   23   52                                       
CONECT   12   11   13   53   54                                       
CONECT   13   12   21   22   22                                       
CONECT   14   21   15   55   56                                       
CONECT   15   16   14   57   58                                       
CONECT   16   17   15   59   60                                       
CONECT   17   18   16   61   62                                       
CONECT   18   17   21   63   64                                       
CONECT   19   20   20                                                 
CONECT   20   19   19   25   11                                       
CONECT   21   18   13   14                                            
CONECT   22   13   13                                                 
CONECT   23   11    1   65                                            
CONECT   24   30   29                                                 
CONECT   25   26   20   72                                            
CONECT   26   27   29   25   66                                       
CONECT   27   37   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   24   26   67   68                                       
CONECT   30   24   69   70   71                                       
CONECT   31   32   33   33   73                                       
CONECT   32   40   40   31   74                                       
CONECT   33   31   31   35   42                                       
CONECT   34   35   36   36   75                                       
CONECT   35   39   39   33   34                                       
CONECT   36   34   34   41   76                                       
CONECT   37   38   27   77                                            
CONECT   38   39   37   78   79                                       
CONECT   39   40   38   35   35                                       
CONECT   40   32   32   39   80                                       
CONECT   41   42   42   36   81                                       
CONECT   42   33   41   41   82                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   25                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
