COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.758   0.420   2.189  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.471   1.076  -2.969  1.00  0.00           C  
HETATM    3  CA  UNL     1      -1.798   0.203  -1.040  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.594   0.208  -0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       2.943  -2.802  -0.302  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.783  -0.150   0.266  1.00  0.00           C  
HETATM    7  C   UNL     1       3.034  -0.301  -0.561  1.00  0.00           C  
HETATM    8  CA  UNL     1       5.456  -0.467  -0.765  1.00  0.00           C  
HETATM    9  C   UNL     1       6.641   0.142  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.431   1.337   1.208  1.00  0.00           C  
HETATM   11  C   UNL     1       6.432   1.650   0.132  1.00  0.00           C  
HETATM   12  C   UNL     1       7.633   2.295   0.862  1.00  0.00           C  
HETATM   13  C   UNL     1       7.147   2.296   2.328  1.00  0.00           C  
HETATM   14  C   UNL     1       5.252   1.937   1.034  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.393   1.074   0.333  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.674   1.337  -2.060  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.479   2.664  -1.324  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.947   1.404  -2.905  1.00  0.00           C  
HETATM   19  C   UNL     1       1.684  -1.310   1.258  1.00  0.00           C  
HETATM   20  C   UNL     1       1.646  -2.634   0.492  1.00  0.00           C  
HETATM   21  C   UNL     1       0.456  -2.633  -0.470  1.00  0.00           C  
HETATM   22  C   UNL     1       1.500  -3.792   1.482  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.683  -0.107   0.440  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.009  -1.025   1.421  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.048  -0.762   2.295  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.552  -0.394  -0.514  1.00  0.00           C  
HETATM   27  C   UNL     1       5.722  -1.952  -1.020  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.196  -0.058  -0.696  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.011   0.395  -0.241  1.00  0.00           N  
HETATM   30  N   UNL     1       0.612  -0.158  -0.614  1.00  0.00           N  
HETATM   31  N   UNL     1       4.240  -0.320   0.039  1.00  0.00           N  
HETATM   32  N   UNL     1       5.681   2.301   2.254  1.00  0.00           N  
HETATM   33  O   UNL     1       4.088   1.851   0.703  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.259  -0.625  -1.769  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.709   0.541   1.026  1.00  0.00           O  
HETATM   36  O   UNL     1       2.954  -0.405  -1.767  1.00  0.00           O  
HETATM   37  O   UNL     1      -5.311   0.119   0.038  1.00  0.00           O  
HETATM   38  O   UNL     1       6.007  -2.605   0.219  1.00  0.00           O  
HETATM   39  H   UNL     1     -10.566   0.627   2.875  1.00  0.00           H  
HETATM   40  H   UNL     1       0.442   1.079  -2.374  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.586   0.106  -3.454  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.413   1.857  -3.727  1.00  0.00           H  
HETATM   43  HA  UNL     1      -1.855  -0.752  -1.564  1.00  0.00           H  
HETATM   44  H   UNL     1       3.790  -2.515   0.322  1.00  0.00           H  
HETATM   45  H   UNL     1       3.051  -3.843  -0.606  1.00  0.00           H  
HETATM   46  H   UNL     1       2.912  -2.166  -1.187  1.00  0.00           H  
HETATM   47  HA  UNL     1       1.821   0.793   0.812  1.00  0.00           H  
HETATM   48  HA  UNL     1       5.326   0.047  -1.717  1.00  0.00           H  
HETATM   49  H   UNL     1       6.716  -0.312   0.975  1.00  0.00           H  
HETATM   50  H   UNL     1       7.560  -0.046  -0.570  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.986   2.260   1.125  1.00  0.00           H  
HETATM   52  H   UNL     1       6.286   2.110  -0.846  1.00  0.00           H  
HETATM   53  H   UNL     1       8.531   1.687   0.749  1.00  0.00           H  
HETATM   54  H   UNL     1       7.805   3.312   0.507  1.00  0.00           H  
HETATM   55  H   UNL     1       7.495   1.400   2.841  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.138   1.790  -0.433  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.390   3.473  -2.051  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.336   2.850  -0.677  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.572   2.616  -0.722  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.086   0.459  -3.429  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.804   1.590  -2.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.859   2.212  -3.632  1.00  0.00           H  
HETATM   63  H   UNL     1       2.550  -1.298   1.919  1.00  0.00           H  
HETATM   64  H   UNL     1       0.774  -1.206   1.849  1.00  0.00           H  
HETATM   65  H   UNL     1       0.714  -2.067  -1.365  1.00  0.00           H  
HETATM   66  H   UNL     1       0.211  -3.658  -0.746  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.404  -2.171   0.016  1.00  0.00           H  
HETATM   68  H   UNL     1       0.576  -3.672   2.047  1.00  0.00           H  
HETATM   69  H   UNL     1       1.473  -4.735   0.936  1.00  0.00           H  
HETATM   70  H   UNL     1       2.348  -3.793   2.167  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.455  -1.947   1.504  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.304  -1.479   3.061  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.466  -1.471  -0.662  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.752   0.089  -1.470  1.00  0.00           H  
HETATM   75  H1  UNL     1       4.842  -2.406  -1.475  1.00  0.00           H  
HETATM   76  H2  UNL     1       6.575  -2.059  -1.691  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.961   0.848   0.615  1.00  0.00           H  
HETATM   78  H   UNL     1       0.703  -0.427  -1.541  1.00  0.00           H  
HETATM   79  H   UNL     1       4.304  -0.237   1.003  1.00  0.00           H  
HETATM   80  H   UNL     1       6.187  -3.551   0.133  1.00  0.00           H  
HETATM   81  H   UNL     1       7.502   3.188   2.843  1.00  0.00           H  
HETATM   82  H   UNL     1       5.097   2.537   2.992  1.00  0.00           H  
CONECT    1   25   25   10   39                                       
CONECT    2   16   40   41   42                                       
CONECT    3   16    4   29   43                                       
CONECT    4    3   30   35   35                                       
CONECT    5   20   44   45   46                                       
CONECT    6   30   19    7   47                                       
CONECT    7   36   36    6   31                                       
CONECT    8   31   27    9   48                                       
CONECT    9    8   11   49   50                                       
CONECT   10    1   15   15   51                                       
CONECT   11   12    9   14   52                                       
CONECT   12   13   11   53   54                                       
CONECT   13   12   32   55   81                                       
CONECT   14   11   32   33   33                                       
CONECT   15   10   10   23   56                                       
CONECT   16    2   17   18    3                                       
CONECT   17   16   57   58   59                                       
CONECT   18   16   60   61   62                                       
CONECT   19   20    6   63   64                                       
CONECT   20   19   22   21    5                                       
CONECT   21   20   65   66   67                                       
CONECT   22   20   68   69   70                                       
CONECT   23   24   24   15   26                                       
CONECT   24   25   23   23   71                                       
CONECT   25    1    1   24   72                                       
CONECT   26   23   37   73   74                                       
CONECT   27    8   38   75   76                                       
CONECT   28   34   34   29   37                                       
CONECT   29    3   28   77                                            
CONECT   30    4    6   78                                            
CONECT   31    7    8   79                                            
CONECT   32   13   14   82                                            
CONECT   33   14   14                                                 
CONECT   34   28   28                                                 
CONECT   35    4    4                                                 
CONECT   36    7    7                                                 
CONECT   37   28   26                                                 
CONECT   38   27   80                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   38                                                      
CONECT   81   13                                                      
CONECT   82   32                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
