COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.315   0.432  -4.374  1.00  0.00           C  
HETATM    2  C   UNL     1       1.270   1.342  -3.328  1.00  0.00           C  
HETATM    3  C   UNL     1       2.012   1.119  -2.185  1.00  0.00           C  
HETATM    4  C   UNL     1       2.805  -0.011  -2.073  1.00  0.00           C  
HETATM    5  C   UNL     1       2.866  -0.922  -3.104  1.00  0.00           C  
HETATM    6  C   UNL     1       2.116  -0.712  -4.265  1.00  0.00           C  
HETATM    7  C   UNL     1       3.610  -0.241  -0.820  1.00  0.00           C  
HETATM    8  C   UNL     1       2.774  -1.039   0.183  1.00  0.00           C  
HETATM    9  O   UNL     1       0.587   0.650  -5.497  1.00  0.00           O  
HETATM   10  N   UNL     1       1.560  -0.289   0.513  1.00  0.00           N  
HETATM   11  C   UNL     1       3.579  -1.270   1.436  1.00  0.00           C  
HETATM   12  C   UNL     1       0.432  -0.946   0.846  1.00  0.00           C  
HETATM   13  N   UNL     1       3.526  -0.378   2.444  1.00  0.00           N  
HETATM   14  O   UNL     1       4.274  -2.259   1.537  1.00  0.00           O  
HETATM   15  C   UNL     1       4.308  -0.602   3.662  1.00  0.00           C  
HETATM   16  C   UNL     1       4.070   0.550   4.640  1.00  0.00           C  
HETATM   17  C   UNL     1       4.887   0.316   5.913  1.00  0.00           C  
HETATM   18  C   UNL     1       4.650   1.468   6.891  1.00  0.00           C  
HETATM   19  C   UNL     1       5.467   1.234   8.163  1.00  0.00           C  
HETATM   20  O   UNL     1       0.421  -2.159   0.873  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.816  -0.174   1.186  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.896  -1.110   1.511  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.111   1.881  -5.304  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.944   2.183  -6.524  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.939   1.421  -7.462  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.690   3.297  -6.568  1.00  0.00           O  
HETATM   27  C   UNL     1       2.171  -1.686  -5.370  1.00  0.00           C  
HETATM   28  O   UNL     1       2.943  -2.786  -5.261  1.00  0.00           O  
HETATM   29  O   UNL     1       1.522  -1.498  -6.379  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.545   0.729   2.391  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.794   1.501   2.731  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.710   0.976   3.623  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.855   1.684   3.935  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.085   2.917   3.354  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.169   3.442   2.462  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.022   2.736   2.154  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.177  -0.774   1.262  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.287  -1.737   1.596  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.633  -1.116   1.217  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.743  -2.078   1.551  1.00  0.00           C  
HETATM   41  O   UNL     1      -8.019  -1.744   1.303  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.484  -3.151   2.043  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.436   0.302   0.769  1.00  0.00           O  
HETATM   44  H   UNL     1       0.655   2.226  -3.407  1.00  0.00           H  
HETATM   45  H   UNL     1       1.973   1.830  -1.373  1.00  0.00           H  
HETATM   46  H   UNL     1       3.486  -1.802  -3.012  1.00  0.00           H  
HETATM   47  H   UNL     1       3.884   0.718  -0.382  1.00  0.00           H  
HETATM   48  H   UNL     1       4.513  -0.800  -1.065  1.00  0.00           H  
HETATM   49  H   UNL     1       2.500  -1.999  -0.254  1.00  0.00           H  
HETATM   50  H   UNL     1       1.568   0.680   0.492  1.00  0.00           H  
HETATM   51  H   UNL     1       2.970   0.412   2.364  1.00  0.00           H  
HETATM   52  H   UNL     1       5.367  -0.651   3.410  1.00  0.00           H  
HETATM   53  H   UNL     1       4.000  -1.540   4.124  1.00  0.00           H  
HETATM   54  H   UNL     1       3.011   0.599   4.893  1.00  0.00           H  
HETATM   55  H   UNL     1       4.378   1.488   4.178  1.00  0.00           H  
HETATM   56  H   UNL     1       5.947   0.266   5.660  1.00  0.00           H  
HETATM   57  H   UNL     1       4.580  -0.622   6.375  1.00  0.00           H  
HETATM   58  H   UNL     1       3.590   1.518   7.143  1.00  0.00           H  
HETATM   59  H   UNL     1       4.958   2.406   6.429  1.00  0.00           H  
HETATM   60  H   UNL     1       5.297   2.055   8.860  1.00  0.00           H  
HETATM   61  H   UNL     1       5.159   0.296   8.625  1.00  0.00           H  
HETATM   62  H   UNL     1       6.526   1.184   7.911  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.110   0.435   0.333  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.688  -1.972   1.906  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.761   1.798  -4.433  1.00  0.00           H  
HETATM   66  H   UNL     1       0.606   2.686  -5.147  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.225   3.491  -7.351  1.00  0.00           H  
HETATM   68  H   UNL     1       2.979  -3.424  -5.985  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.252   0.118   3.245  1.00  0.00           H  
HETATM   70  H   UNL     1       0.257   1.425   2.149  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.530   0.012   4.077  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.571   1.273   4.632  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.981   3.470   3.597  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.349   4.406   2.008  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.306   3.147   1.457  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.145  -2.663   1.040  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.274  -1.950   2.665  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.775  -0.189   1.774  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.646  -0.903   0.148  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.731  -2.361   1.517  1.00  0.00           H  
CONECT    1    2    2    6    9                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   46                                       
CONECT    6    1    5    5   27                                       
CONECT    7    4    8   47   48                                       
CONECT    8    7   10   11   49                                       
CONECT    9    1   23                                                 
CONECT   10    8   12   50                                            
CONECT   11    8   13   14   14                                       
CONECT   12   10   20   20   21                                       
CONECT   13   11   15   51                                            
CONECT   14   11   11                                                 
CONECT   15   13   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   60   61   62                                       
CONECT   20   12   12                                                 
CONECT   21   12   22   30   63                                       
CONECT   22   21   37   64                                            
CONECT   23    9   24   65   66                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   67                                                 
CONECT   27    6   28   29   29                                       
CONECT   28   27   68                                                 
CONECT   29   27   27                                                 
CONECT   30   21   31   69   70                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   71                                       
CONECT   33   32   34   34   72                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   36   74                                       
CONECT   36   31   35   35   75                                       
CONECT   37   22   38   43   43                                       
CONECT   38   37   39   76   77                                       
CONECT   39   38   40   78   79                                       
CONECT   40   39   41   42   42                                       
CONECT   41   40   80                                                 
CONECT   42   40   40                                                 
CONECT   43   37   37                                                 
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
