COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.811   6.844   0.097  1.00  0.00           C  
HETATM    2  O   UNL     1       5.878   5.765   0.012  1.00  0.00           O  
HETATM    3  C   UNL     1       6.471   4.471   0.146  1.00  0.00           C  
HETATM    4  C   UNL     1       5.385   3.399   0.040  1.00  0.00           C  
HETATM    5  C   UNL     1       6.020   2.014   0.184  1.00  0.00           C  
HETATM    6  O   UNL     1       5.006   1.013   0.085  1.00  0.00           O  
HETATM    7  C   UNL     1       5.404  -0.280   0.192  1.00  0.00           C  
HETATM    8  C   UNL     1       6.743  -0.582   0.389  1.00  0.00           C  
HETATM    9  C   UNL     1       7.147  -1.898   0.498  1.00  0.00           C  
HETATM   10  C   UNL     1       6.221  -2.924   0.413  1.00  0.00           C  
HETATM   11  C   UNL     1       4.886  -2.642   0.218  1.00  0.00           C  
HETATM   12  C   UNL     1       4.463  -1.315   0.111  1.00  0.00           C  
HETATM   13  C   UNL     1       3.035  -1.006  -0.093  1.00  0.00           C  
HETATM   14  O   UNL     1       2.671   0.150  -0.190  1.00  0.00           O  
HETATM   15  N   UNL     1       2.134  -2.005  -0.170  1.00  0.00           N  
HETATM   16  C   UNL     1       0.715  -1.698  -0.372  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.068  -3.000  -0.554  1.00  0.00           C  
HETATM   18  C   UNL     1       0.400  -3.702  -1.830  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.333  -5.037  -1.975  1.00  0.00           C  
HETATM   20  C   UNL     1       0.093  -2.818  -3.040  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.561  -2.685  -0.663  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.060  -2.115   0.666  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.960  -3.144   1.710  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.519  -1.679   0.518  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.319  -2.806   0.154  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.018  -1.108   1.847  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.427  -0.541   1.662  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.990  -0.119   3.020  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.371   0.655   0.748  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.308   1.019   0.289  1.00  0.00           O  
HETATM   31  N   UNL     1      -6.501   1.322   0.439  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.446   2.485  -0.450  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.855   3.052  -0.635  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.798   4.267  -1.563  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.207   4.834  -1.749  1.00  0.00           C  
HETATM   36  H   UNL     1       6.282   7.791  -0.014  1.00  0.00           H  
HETATM   37  H   UNL     1       7.310   6.817   1.066  1.00  0.00           H  
HETATM   38  H   UNL     1       7.552   6.746  -0.696  1.00  0.00           H  
HETATM   39  H   UNL     1       7.205   4.325  -0.646  1.00  0.00           H  
HETATM   40  H   UNL     1       6.963   4.396   1.116  1.00  0.00           H  
HETATM   41  H   UNL     1       4.650   3.546   0.832  1.00  0.00           H  
HETATM   42  H   UNL     1       4.893   3.474  -0.930  1.00  0.00           H  
HETATM   43  H   UNL     1       6.754   1.867  -0.608  1.00  0.00           H  
HETATM   44  H   UNL     1       6.511   1.939   1.154  1.00  0.00           H  
HETATM   45  H   UNL     1       7.471   0.213   0.457  1.00  0.00           H  
HETATM   46  H   UNL     1       8.191  -2.128   0.650  1.00  0.00           H  
HETATM   47  H   UNL     1       6.546  -3.951   0.499  1.00  0.00           H  
HETATM   48  H   UNL     1       4.168  -3.446   0.151  1.00  0.00           H  
HETATM   49  H   UNL     1       2.424  -2.927  -0.093  1.00  0.00           H  
HETATM   50  H   UNL     1       0.333  -1.162   0.496  1.00  0.00           H  
HETATM   51  H   UNL     1       0.601  -1.078  -1.261  1.00  0.00           H  
HETATM   52  H   UNL     1       0.105  -3.650   0.303  1.00  0.00           H  
HETATM   53  H   UNL     1       1.474  -3.881  -1.774  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.722  -1.955  -1.455  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.109  -3.599  -0.894  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.394  -4.853  -2.142  1.00  0.00           H  
HETATM   57  H   UNL     1       0.078  -5.587  -2.822  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.204  -5.623  -1.065  1.00  0.00           H  
HETATM   59  H   UNL     1       0.685  -1.904  -2.983  1.00  0.00           H  
HETATM   60  H   UNL     1       0.343  -3.355  -3.955  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.967  -2.565  -3.046  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.451  -1.255   0.945  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.434  -3.990   1.430  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.996  -3.330   1.943  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.594  -0.915  -0.256  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.300  -3.526   0.799  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.041  -1.899   2.597  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.348  -0.314   2.177  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.071  -1.304   1.223  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.025   0.202   2.901  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.949  -0.963   3.709  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.398   0.705   3.419  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.351   1.031   0.805  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.803   3.247  -0.011  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.045   2.184  -1.418  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.499   2.290  -1.074  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.256   3.353   0.333  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.154   5.029  -1.125  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.397   3.966  -2.531  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.608   5.135  -0.781  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.166   5.700  -2.410  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.851   4.071  -2.188  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   39   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10    9   11   11   47                                       
CONECT   11   10   10   12   48                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   49                                            
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   21   52                                       
CONECT   18   17   19   20   53                                       
CONECT   19   18   56   57   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   17   22   54   55                                       
CONECT   22   21   23   24   62                                       
CONECT   23   22   63   64                                            
CONECT   24   22   25   26   65                                       
CONECT   25   24   66                                                 
CONECT   26   24   27   67   68                                       
CONECT   27   26   28   29   69                                       
CONECT   28   27   70   71   72                                       
CONECT   29   27   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   73                                            
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   78   79                                       
CONECT   35   34   80   81   82                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
