COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.798  -2.080  -1.365  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.113   1.331   2.166  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.645  -2.690  -2.745  1.00  0.00           O  
HETATM    4  C   UNL     1       4.998  -3.039   0.788  1.00  0.00           C  
HETATM    5  O   UNL     1       5.142  -1.841   0.847  1.00  0.00           O  
HETATM    6  C   UNL     1       6.203  -3.939   0.687  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.416  -2.448  -1.840  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.758  -3.141  -1.748  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.482  -1.542   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.841   1.808   2.252  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.840   1.380   1.378  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.177   0.014  -0.449  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.127   0.453   0.402  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.821  -1.430  -1.573  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.767  -0.993  -0.707  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.719   0.310   1.931  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.757  -0.116   1.069  1.00  0.00           C  
HETATM   18  O   UNL     1       0.640   3.175   0.766  1.00  0.00           O  
HETATM   19  C   UNL     1       0.539   1.953   1.527  1.00  0.00           C  
HETATM   20  O   UNL     1       2.598   2.045   0.516  1.00  0.00           O  
HETATM   21  C   UNL     1       1.605   1.022   0.900  1.00  0.00           C  
HETATM   22  O   UNL     1       2.025  -0.285  -1.120  1.00  0.00           O  
HETATM   23  C   UNL     1       1.095   0.609  -0.506  1.00  0.00           C  
HETATM   24  O   UNL     1       1.857   1.906  -2.441  1.00  0.00           O  
HETATM   25  C   UNL     1       1.060   1.962  -1.257  1.00  0.00           C  
HETATM   26  C   UNL     1       1.686   2.936  -0.212  1.00  0.00           C  
HETATM   27  C   UNL     1       2.331   4.197  -0.790  1.00  0.00           C  
HETATM   28  O   UNL     1       2.585  -1.446   0.825  1.00  0.00           O  
HETATM   29  C   UNL     1       2.083  -1.574  -0.507  1.00  0.00           C  
HETATM   30  C   UNL     1       3.013  -2.483  -1.316  1.00  0.00           C  
HETATM   31  O   UNL     1       4.042  -4.673  -1.328  1.00  0.00           O  
HETATM   32  C   UNL     1       3.118  -3.843  -0.620  1.00  0.00           C  
HETATM   33  O   UNL     1       3.646  -4.889   1.497  1.00  0.00           O  
HETATM   34  C   UNL     1       3.614  -3.633   0.815  1.00  0.00           C  
HETATM   35  C   UNL     1       2.660  -2.681   1.541  1.00  0.00           C  
HETATM   36  C   UNL     1       1.269  -3.312   1.618  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.077  -1.472  -0.795  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.068  -1.027   0.104  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.505   2.822   3.315  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.440  -0.052   0.287  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.444   0.391   1.180  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.475   1.459   1.543  1.00  0.00           C  
HETATM   43  O   UNL     1       1.341   4.967  -1.475  1.00  0.00           O  
HETATM   44  C   UNL     1       1.880   5.960  -2.350  1.00  0.00           C  
HETATM   45  C   UNL     1       3.848   5.944  -0.163  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.378   2.366  -1.584  1.00  0.00           C  
HETATM   47  O   UNL     1       2.891   4.975   0.270  1.00  0.00           O  
HETATM   48  H   UNL     1      -6.768  -1.264  -2.086  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.792  -2.529  -1.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.868   1.678   2.858  1.00  0.00           H  
HETATM   51  H   UNL     1       7.109  -3.333   0.681  1.00  0.00           H  
HETATM   52  H   UNL     1       6.223  -4.615   1.541  1.00  0.00           H  
HETATM   53  H   UNL     1       6.147  -4.518  -0.235  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.723  -3.918  -0.984  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.015  -3.580  -2.712  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.171  -0.730   0.262  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.611  -2.340   0.758  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.342  -2.213  -1.270  1.00  0.00           H  
HETATM   59  H   UNL     1       0.762   2.130   2.579  1.00  0.00           H  
HETATM   60  H   UNL     1       1.954   0.207   1.534  1.00  0.00           H  
HETATM   61  H   UNL     1       1.868   2.730  -2.947  1.00  0.00           H  
HETATM   62  H   UNL     1       3.119   3.915  -1.489  1.00  0.00           H  
HETATM   63  H   UNL     1       1.084  -2.010  -0.479  1.00  0.00           H  
HETATM   64  H   UNL     1       2.609  -2.617  -2.319  1.00  0.00           H  
HETATM   65  H   UNL     1       4.002  -2.028  -1.378  1.00  0.00           H  
HETATM   66  H   UNL     1       3.793  -4.841  -2.247  1.00  0.00           H  
HETATM   67  H   UNL     1       2.138  -4.320  -0.602  1.00  0.00           H  
HETATM   68  H   UNL     1       3.949  -4.830   2.413  1.00  0.00           H  
HETATM   69  H   UNL     1       3.031  -2.494   2.549  1.00  0.00           H  
HETATM   70  H   UNL     1       0.898  -3.499   0.610  1.00  0.00           H  
HETATM   71  H   UNL     1       1.327  -4.253   2.165  1.00  0.00           H  
HETATM   72  H   UNL     1       0.590  -2.633   2.135  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.184   2.306   4.220  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.703   3.468   2.960  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.387   3.424   3.534  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.207   1.690   2.318  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.805   2.307   1.411  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.992   1.254   0.605  1.00  0.00           H  
HETATM   79  H   UNL     1       1.119   6.261  -3.070  1.00  0.00           H  
HETATM   80  H   UNL     1       2.191   6.827  -1.768  1.00  0.00           H  
HETATM   81  H   UNL     1       2.740   5.550  -2.879  1.00  0.00           H  
HETATM   82  H   UNL     1       4.354   6.368   0.705  1.00  0.00           H  
HETATM   83  H   UNL     1       4.580   5.466  -0.813  1.00  0.00           H  
HETATM   84  H   UNL     1       3.339   6.738  -0.710  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.948   2.463  -0.660  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.376   3.320  -2.112  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.836   1.603  -2.215  1.00  0.00           H  
CONECT    1    9    8   48   49                                       
CONECT    2   41   41   10   50                                       
CONECT    3    7    7                                                 
CONECT    4   34    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4   51   52   53                                       
CONECT    7    8   37    3    3                                       
CONECT    8    1    7   54   55                                       
CONECT    9    1   38   56   57                                       
CONECT   10    2   39   11   11                                       
CONECT   11   10   10   13   19                                       
CONECT   12   13   23                                                 
CONECT   13   40   40   11   12                                       
CONECT   14   15   58                                                 
CONECT   15   37   37   40   14                                       
CONECT   16   17   42                                                 
CONECT   17   16   38   38   41                                       
CONECT   18   19   26                                                 
CONECT   19   11   21   18   59                                       
CONECT   20   21   26                                                 
CONECT   21   19   23   20   60                                       
CONECT   22   29   23                                                 
CONECT   23   12   21   22   25                                       
CONECT   24   25   61                                                 
CONECT   25   23   26   46   24                                       
CONECT   26   20   18   25   27                                       
CONECT   27   26   47   43   62                                       
CONECT   28   35   29                                                 
CONECT   29   28   30   22   63                                       
CONECT   30   29   32   64   65                                       
CONECT   31   32   66                                                 
CONECT   32   34   30   31   67                                       
CONECT   33   34   68                                                 
CONECT   34   33   35    4   32                                       
CONECT   35   36   28   34   69                                       
CONECT   36   35   70   71   72                                       
CONECT   37   38    7   15   15                                       
CONECT   38    9   17   17   37                                       
CONECT   39   10   73   74   75                                       
CONECT   40   41   15   13   13                                       
CONECT   41   17    2    2   40                                       
CONECT   42   16   76   77   78                                       
CONECT   43   27   44                                                 
CONECT   44   43   79   80   81                                       
CONECT   45   47   82   83   84                                       
CONECT   46   25   85   86   87                                       
CONECT   47   27   45                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   14                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   36                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
