COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.667   3.572  -3.169  1.00  0.00           C  
HETATM    2  C   UNL     1       0.591   3.771  -1.654  1.00  0.00           C  
HETATM    3  C   UNL     1       1.466   2.726  -0.959  1.00  0.00           C  
HETATM    4  C   UNL     1       0.872   1.334  -1.179  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.436   1.252  -0.523  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.640   1.454   0.790  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.109   1.300   1.118  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.815   1.387  -0.255  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.955   0.468  -0.317  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.162   0.862   0.134  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.210   0.018   0.077  1.00  0.00           O  
HETATM   12  C   UNL     1      -7.480   0.509   0.580  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.527  -0.566   0.436  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.734  -1.470   1.461  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.694  -2.456   1.328  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.447  -2.537   0.171  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.239  -1.633  -0.853  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.284  -0.643  -0.718  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.306   1.978   0.592  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.692   0.945  -1.217  1.00  0.00           C  
HETATM   21  O   UNL     1       0.228   1.720   1.595  1.00  0.00           O  
HETATM   22  C   UNL     1       1.793   0.295  -0.593  1.00  0.00           C  
HETATM   23  N   UNL     1       3.058   0.184  -1.046  1.00  0.00           N  
HETATM   24  C   UNL     1       3.919  -0.895  -0.557  1.00  0.00           C  
HETATM   25  C   UNL     1       5.382  -0.454  -0.632  1.00  0.00           C  
HETATM   26  O   UNL     1       5.720  -0.153  -1.987  1.00  0.00           O  
HETATM   27  C   UNL     1       5.581   0.772   0.221  1.00  0.00           C  
HETATM   28  N   UNL     1       5.421   0.698   1.557  1.00  0.00           N  
HETATM   29  C   UNL     1       5.615   1.890   2.385  1.00  0.00           C  
HETATM   30  C   UNL     1       4.890   1.940   3.732  1.00  0.00           C  
HETATM   31  C   UNL     1       6.404   1.726   3.685  1.00  0.00           C  
HETATM   32  O   UNL     1       5.886   1.826  -0.296  1.00  0.00           O  
HETATM   33  C   UNL     1       3.716  -2.141  -1.422  1.00  0.00           C  
HETATM   34  C   UNL     1       4.521  -3.303  -0.839  1.00  0.00           C  
HETATM   35  C   UNL     1       4.447  -4.535  -1.771  1.00  0.00           C  
HETATM   36  C   UNL     1       4.404  -5.697  -0.755  1.00  0.00           C  
HETATM   37  N   UNL     1       3.842  -5.123   0.474  1.00  0.00           N  
HETATM   38  C   UNL     1       3.902  -3.778   0.458  1.00  0.00           C  
HETATM   39  O   UNL     1       3.514  -3.055   1.351  1.00  0.00           O  
HETATM   40  O   UNL     1       1.397  -0.441   0.286  1.00  0.00           O  
HETATM   41  C   UNL     1       1.089   5.173  -1.297  1.00  0.00           C  
HETATM   42  H   UNL     1       1.699   3.686  -3.499  1.00  0.00           H  
HETATM   43  H   UNL     1       0.312   2.574  -3.423  1.00  0.00           H  
HETATM   44  H   UNL     1       0.043   4.317  -3.665  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.442   3.657  -1.324  1.00  0.00           H  
HETATM   46  H   UNL     1       2.473   2.761  -1.374  1.00  0.00           H  
HETATM   47  H   UNL     1       1.507   2.939   0.110  1.00  0.00           H  
HETATM   48  H   UNL     1       0.754   1.154  -2.248  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.296   0.332   1.583  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.441   2.108   1.770  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.127   2.409  -0.469  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.840  -0.423  -0.682  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.376   0.776   1.632  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.781   1.388   0.011  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.146  -1.407   2.364  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.856  -3.163   2.128  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.196  -3.308   0.068  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.827  -1.696  -1.757  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.122   0.064  -1.518  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.754   1.503  -2.151  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.765  -0.125  -1.411  1.00  0.00           H  
HETATM   62  H   UNL     1       3.398   0.820  -1.695  1.00  0.00           H  
HETATM   63  H   UNL     1       3.661  -1.125   0.477  1.00  0.00           H  
HETATM   64  H   UNL     1       6.023  -1.258  -0.268  1.00  0.00           H  
HETATM   65  H   UNL     1       5.188   0.555  -2.377  1.00  0.00           H  
HETATM   66  H   UNL     1       5.177  -0.145   1.970  1.00  0.00           H  
HETATM   67  H   UNL     1       5.730   2.828   1.841  1.00  0.00           H  
HETATM   68  H   UNL     1       4.529   2.911   4.073  1.00  0.00           H  
HETATM   69  H   UNL     1       4.269   1.086   4.001  1.00  0.00           H  
HETATM   70  H   UNL     1       6.780   0.731   3.924  1.00  0.00           H  
HETATM   71  H   UNL     1       7.040   2.556   3.997  1.00  0.00           H  
HETATM   72  H   UNL     1       2.659  -2.403  -1.439  1.00  0.00           H  
HETATM   73  H   UNL     1       4.056  -1.937  -2.437  1.00  0.00           H  
HETATM   74  H   UNL     1       5.558  -3.007  -0.680  1.00  0.00           H  
HETATM   75  H   UNL     1       3.541  -4.512  -2.376  1.00  0.00           H  
HETATM   76  H   UNL     1       5.334  -4.600  -2.402  1.00  0.00           H  
HETATM   77  H   UNL     1       3.764  -6.498  -1.124  1.00  0.00           H  
HETATM   78  H   UNL     1       5.410  -6.075  -0.570  1.00  0.00           H  
HETATM   79  H   UNL     1       3.476  -5.646   1.204  1.00  0.00           H  
HETATM   80  H   UNL     1       2.147   5.257  -1.548  1.00  0.00           H  
HETATM   81  H   UNL     1       0.522   5.914  -1.860  1.00  0.00           H  
HETATM   82  H   UNL     1       0.954   5.345  -0.230  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3   41    1   45                                       
CONECT    3    4    2   46   47                                       
CONECT    4   22    5    3   48                                       
CONECT    5    6    4   20                                            
CONECT    6   21   21    7    5                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7   20    9   51                                       
CONECT    9    8   10   52                                            
CONECT   10   19   19    9   11                                       
CONECT   11   10   12                                                 
CONECT   12   13   11   53   54                                       
CONECT   13   18   18   14   12                                       
CONECT   14   15   15   13   55                                       
CONECT   15   16   14   14   56                                       
CONECT   16   17   17   15   57                                       
CONECT   17   16   16   18   58                                       
CONECT   18   17   13   13   59                                       
CONECT   19   10   10                                                 
CONECT   20    5    8   60   61                                       
CONECT   21    6    6                                                 
CONECT   22   40   40   23    4                                       
CONECT   23   24   22   62                                            
CONECT   24   33   25   23   63                                       
CONECT   25   27   24   26   64                                       
CONECT   26   25   65                                                 
CONECT   27   32   32   28   25                                       
CONECT   28   29   27   66                                            
CONECT   29   31   30   28   67                                       
CONECT   30   31   29   68   69                                       
CONECT   31   29   30   70   71                                       
CONECT   32   27   27                                                 
CONECT   33   34   24   72   73                                       
CONECT   34   38   35   33   74                                       
CONECT   35   36   34   75   76                                       
CONECT   36   37   35   77   78                                       
CONECT   37   36   38   79                                            
CONECT   38   37   39   39   34                                       
CONECT   39   38   38                                                 
CONECT   40   22   22                                                 
CONECT   41    2   80   81   82                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
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   41                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
