COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.485   2.346  -0.077  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.859   2.343  -1.362  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.951   1.924  -0.215  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.031   0.499  -0.764  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.395   0.167  -1.029  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.457  -0.484   0.262  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.029  -0.079   0.566  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.028  -0.982   0.593  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.660  -0.551   0.891  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.671  -1.444   0.917  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.899  -2.922   0.639  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.786   1.355   0.833  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.906  -3.437  -0.401  1.00  0.00           C  
HETATM   14  C   UNL     1       0.536  -3.021  -0.068  1.00  0.00           C  
HETATM   15  C   UNL     1       0.575  -1.511  -0.016  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.252  -1.061   1.216  1.00  0.00           C  
HETATM   17  C   UNL     1       0.064   0.436   1.252  1.00  0.00           C  
HETATM   18  C   UNL     1       1.590   0.472   0.956  1.00  0.00           C  
HETATM   19  C   UNL     1       1.918  -0.830   0.198  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.069  -0.945  -1.283  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.991   1.756   1.825  1.00  0.00           C  
HETATM   22  C   UNL     1       2.566  -0.499  -1.148  1.00  0.00           C  
HETATM   23  C   UNL     1       2.925  -1.797  -1.874  1.00  0.00           C  
HETATM   24  C   UNL     1       3.816   0.310  -0.917  1.00  0.00           C  
HETATM   25  O   UNL     1       4.891  -0.087  -0.217  1.00  0.00           O  
HETATM   26  C   UNL     1       4.048   1.551  -1.383  1.00  0.00           C  
HETATM   27  C   UNL     1       5.334   1.924  -0.932  1.00  0.00           C  
HETATM   28  C   UNL     1       5.814   0.888  -0.221  1.00  0.00           C  
HETATM   29  C   UNL     1       7.160   0.831   0.454  1.00  0.00           C  
HETATM   30  O   UNL     1       8.093   1.632  -0.274  1.00  0.00           O  
HETATM   31  C   UNL     1       7.037   1.363   1.884  1.00  0.00           C  
HETATM   32  C   UNL     1       7.651  -0.618   0.490  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.429   3.345   0.357  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.925   2.594  -1.345  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.434   1.964   0.761  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.460   2.603  -0.899  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.456   0.433  -1.688  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.522  -0.725  -1.380  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.051  -0.450   1.175  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.473  -1.494  -0.149  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.234  -2.023   0.394  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.453   0.490   1.089  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.773  -3.485   1.564  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.914  -3.065   0.267  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.962  -4.525  -0.439  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.175  -3.034  -1.378  1.00  0.00           H  
HETATM   47  H   UNL     1       0.826  -3.432   0.899  1.00  0.00           H  
HETATM   48  H   UNL     1       1.214  -3.382  -0.842  1.00  0.00           H  
HETATM   49  H   UNL     1       0.099  -1.559   2.120  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.492   0.966   0.480  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.148   0.851   2.237  1.00  0.00           H  
HETATM   52  H   UNL     1       1.831   1.340   0.342  1.00  0.00           H  
HETATM   53  H   UNL     1       2.152   0.507   1.889  1.00  0.00           H  
HETATM   54  H   UNL     1       2.576  -1.467   0.789  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.130  -1.192  -1.293  1.00  0.00           H  
HETATM   56  H   UNL     1       0.052   0.138  -1.299  1.00  0.00           H  
HETATM   57  H   UNL     1       0.414  -1.378  -2.160  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.507   1.027   2.457  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.832   2.810   1.997  1.00  0.00           H  
HETATM   60  H   UNL     1       1.867   0.077  -1.755  1.00  0.00           H  
HETATM   61  H   UNL     1       3.542  -2.417  -1.225  1.00  0.00           H  
HETATM   62  H   UNL     1       2.012  -2.334  -2.130  1.00  0.00           H  
HETATM   63  H   UNL     1       3.476  -1.562  -2.785  1.00  0.00           H  
HETATM   64  H   UNL     1       3.379   2.147  -1.987  1.00  0.00           H  
HETATM   65  H   UNL     1       5.837   2.860  -1.125  1.00  0.00           H  
HETATM   66  H   UNL     1       8.221   1.352  -1.190  1.00  0.00           H  
HETATM   67  H   UNL     1       6.326   0.751   2.439  1.00  0.00           H  
HETATM   68  H   UNL     1       8.011   1.321   2.372  1.00  0.00           H  
HETATM   69  H   UNL     1       6.687   2.395   1.858  1.00  0.00           H  
HETATM   70  H   UNL     1       7.739  -0.997  -0.529  1.00  0.00           H  
HETATM   71  H   UNL     1       8.625  -0.660   0.978  1.00  0.00           H  
HETATM   72  H   UNL     1       6.940  -1.229   1.045  1.00  0.00           H  
CONECT    1    3   12    2   33                                       
CONECT    2    1   34                                                 
CONECT    3    1    4   35   36                                       
CONECT    4    3    6    5   37                                       
CONECT    5    4   38                                                 
CONECT    6    4    7   39   40                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   16                                       
CONECT   11   10   13   43   44                                       
CONECT   12    1    7   21   21                                       
CONECT   13   11   14   45   46                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   20   16   19                                       
CONECT   16   10   15   17   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   52   53                                       
CONECT   19   15   18   22   54                                       
CONECT   20   15   55   56   57                                       
CONECT   21   12   12   58   59                                       
CONECT   22   19   24   23   60                                       
CONECT   23   22   61   62   63                                       
CONECT   24   22   25   26   26                                       
CONECT   25   24   28                                                 
CONECT   26   24   24   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   25   27   27   29                                       
CONECT   29   28   31   32   30                                       
CONECT   30   29   66                                                 
CONECT   31   29   67   68   69                                       
CONECT   32   29   70   71   72                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
