COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.021   2.103  -2.303  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.104   2.703  -1.793  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.019   3.014  -2.519  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.182   3.107  -0.343  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.963   4.418  -0.221  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.910   4.909   1.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.895   2.013   0.454  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.088   0.742   0.394  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.362  -0.205  -0.577  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.623  -1.371  -0.634  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.606  -1.592   0.283  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.878  -2.738   0.229  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.214  -3.672  -0.799  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.294  -4.891  -0.702  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.654  -5.891  -1.802  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.734  -7.109  -1.705  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.072   0.526   1.306  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.333  -0.641   1.256  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.230  -0.878   2.254  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.938  -0.565   1.637  1.00  0.00           N  
HETATM   21  C   UNL     1       0.199  -0.704   2.347  1.00  0.00           C  
HETATM   22  O   UNL     1       0.153  -1.089   3.499  1.00  0.00           O  
HETATM   23  C   UNL     1       1.502  -0.387   1.725  1.00  0.00           C  
HETATM   24  C   UNL     1       1.558   0.061   0.404  1.00  0.00           C  
HETATM   25  C   UNL     1       2.777   0.355  -0.170  1.00  0.00           C  
HETATM   26  C   UNL     1       3.943   0.206   0.560  1.00  0.00           C  
HETATM   27  C   UNL     1       3.895  -0.239   1.869  1.00  0.00           C  
HETATM   28  C   UNL     1       2.682  -0.530   2.457  1.00  0.00           C  
HETATM   29  C   UNL     1       5.272   0.529  -0.075  1.00  0.00           C  
HETATM   30  C   UNL     1       6.393   0.281   0.936  1.00  0.00           C  
HETATM   31  C   UNL     1       7.742   0.609   0.292  1.00  0.00           C  
HETATM   32  C   UNL     1       7.953  -0.284  -0.932  1.00  0.00           C  
HETATM   33  C   UNL     1       7.758   2.077  -0.138  1.00  0.00           C  
HETATM   34  C   UNL     1       6.637   2.324  -1.149  1.00  0.00           C  
HETATM   35  C   UNL     1       5.288   1.997  -0.505  1.00  0.00           C  
HETATM   36  C   UNL     1       6.848   1.431  -2.374  1.00  0.00           C  
HETATM   37  C   UNL     1       6.831  -0.037  -1.943  1.00  0.00           C  
HETATM   38  C   UNL     1       5.483  -0.364  -1.299  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.017   2.737  -3.446  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.175   3.246   0.050  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.518   5.168  -0.875  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.000   4.251  -0.511  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.369   5.895   1.293  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.453   4.212   1.867  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.872   4.968   1.554  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.999   2.329   1.492  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.882   1.837   0.027  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.153  -0.032  -1.291  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.838  -2.110  -1.392  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.250  -3.989  -0.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.090  -3.200  -1.773  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.258  -4.574  -0.823  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.418  -5.363   0.273  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.690  -6.207  -1.681  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.530  -5.419  -2.777  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.990  -7.822  -2.489  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.698  -6.793  -1.826  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.858  -7.581  -0.731  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.857   1.268   2.060  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.382  -0.239   3.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.239  -1.923   2.565  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.901  -0.257   0.718  1.00  0.00           H  
HETATM   63  H   UNL     1       0.649   0.177  -0.167  1.00  0.00           H  
HETATM   64  H   UNL     1       2.822   0.702  -1.192  1.00  0.00           H  
HETATM   65  H   UNL     1       4.809  -0.353   2.433  1.00  0.00           H  
HETATM   66  H   UNL     1       2.645  -0.872   3.481  1.00  0.00           H  
HETATM   67  H   UNL     1       6.243   0.917   1.809  1.00  0.00           H  
HETATM   68  H   UNL     1       6.381  -0.765   1.243  1.00  0.00           H  
HETATM   69  H   UNL     1       8.541   0.433   1.013  1.00  0.00           H  
HETATM   70  H   UNL     1       8.914  -0.051  -1.391  1.00  0.00           H  
HETATM   71  H   UNL     1       7.941  -1.330  -0.625  1.00  0.00           H  
HETATM   72  H   UNL     1       7.608   2.713   0.734  1.00  0.00           H  
HETATM   73  H   UNL     1       8.719   2.310  -0.597  1.00  0.00           H  
HETATM   74  H   UNL     1       6.648   3.370  -1.456  1.00  0.00           H  
HETATM   75  H   UNL     1       4.489   2.173  -1.226  1.00  0.00           H  
HETATM   76  H   UNL     1       5.138   2.633   0.367  1.00  0.00           H  
HETATM   77  H   UNL     1       6.049   1.607  -3.094  1.00  0.00           H  
HETATM   78  H   UNL     1       7.809   1.664  -2.832  1.00  0.00           H  
HETATM   79  H   UNL     1       6.982  -0.673  -2.815  1.00  0.00           H  
HETATM   80  H   UNL     1       5.471  -1.410  -0.992  1.00  0.00           H  
HETATM   81  H   UNL     1       4.684  -0.188  -2.019  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   39                                                 
CONECT    4    2    5    7   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6    5   43   44   45                                       
CONECT    7    4    8   46   47                                       
CONECT    8    7    9   17   17                                       
CONECT    9   10   10    8   48                                       
CONECT   10    9    9   11   49                                       
CONECT   11   10   12   18   18                                       
CONECT   12   13   11                                                 
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   56   57   58                                       
CONECT   17    8    8   18   59                                       
CONECT   18   11   11   17   19                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   62                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   28   28   24                                       
CONECT   24   23   25   25   63                                       
CONECT   25   24   24   26   64                                       
CONECT   26   27   27   25   29                                       
CONECT   27   28   26   26   65                                       
CONECT   28   23   23   27   66                                       
CONECT   29   38   26   30   35                                       
CONECT   30   29   31   67   68                                       
CONECT   31   32   30   33   69                                       
CONECT   32   37   31   70   71                                       
CONECT   33   31   34   72   73                                       
CONECT   34   36   35   33   74                                       
CONECT   35   29   34   75   76                                       
CONECT   36   37   34   77   78                                       
CONECT   37   38   32   36   79                                       
CONECT   38   37   29   80   81                                       
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
