COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.071  -0.164   0.054  1.00  0.00           N  
HETATM    2  N   UNL     1       3.430  -0.998   1.334  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.626  -1.211   1.027  1.00  0.00           O  
HETATM    4  O   UNL     1       2.502   0.769   0.366  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.246  -0.325   0.291  1.00  0.00           C  
HETATM    6  O   UNL     1       6.472   1.028   0.263  1.00  0.00           O  
HETATM    7  C   UNL     1       1.044  -1.058   0.686  1.00  0.00           C  
HETATM    8  C   UNL     1       1.192  -2.328  -0.155  1.00  0.00           C  
HETATM    9  C   UNL     1       2.377  -0.362   0.784  1.00  0.00           C  
HETATM   10  C   UNL     1       4.726  -0.321   1.429  1.00  0.00           C  
HETATM   11  C   UNL     1       4.764   0.533   2.698  1.00  0.00           C  
HETATM   12  C   UNL     1       3.729   1.654   2.589  1.00  0.00           C  
HETATM   13  C   UNL     1       3.767   2.508   3.858  1.00  0.00           C  
HETATM   14  C   UNL     1       5.827  -1.349   1.482  1.00  0.00           C  
HETATM   15  C   UNL     1       6.896  -1.221   0.697  1.00  0.00           C  
HETATM   16  C   UNL     1       7.163   0.056   0.022  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.062  -2.833  -1.121  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.253  -3.534  -1.120  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.110  -3.087  -0.151  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.495  -4.485  -0.147  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.352  -4.039   0.822  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.546  -4.736   0.826  1.00  0.00           C  
HETATM   23  C   UNL     1       8.271   0.160  -0.952  1.00  0.00           C  
HETATM   24  C   UNL     1       9.062  -0.956  -1.235  1.00  0.00           C  
HETATM   25  C   UNL     1       8.527   1.372  -1.596  1.00  0.00           C  
HETATM   26  C   UNL     1      10.094  -0.852  -2.145  1.00  0.00           C  
HETATM   27  C   UNL     1       9.562   1.462  -2.503  1.00  0.00           C  
HETATM   28  C   UNL     1      10.346   0.354  -2.775  1.00  0.00           C  
HETATM   29  H   UNL     1       0.374   0.542  -0.538  1.00  0.00           H  
HETATM   30  H   UNL     1       3.330  -1.903   1.668  1.00  0.00           H  
HETATM   31  C   UNL     1      -2.247   0.595  -0.359  1.00  0.00           C  
HETATM   32  H   UNL     1       0.698  -1.323   1.686  1.00  0.00           H  
HETATM   33  H   UNL     1       1.451  -2.057  -1.179  1.00  0.00           H  
HETATM   34  H   UNL     1       1.979  -2.953   0.266  1.00  0.00           H  
HETATM   35  H   UNL     1       4.867   0.318   0.557  1.00  0.00           H  
HETATM   36  H   UNL     1       4.535  -0.090   3.562  1.00  0.00           H  
HETATM   37  H   UNL     1       5.758   0.966   2.815  1.00  0.00           H  
HETATM   38  H   UNL     1       3.958   2.278   1.725  1.00  0.00           H  
HETATM   39  H   UNL     1       2.736   1.222   2.472  1.00  0.00           H  
HETATM   40  H   UNL     1       3.030   3.307   3.781  1.00  0.00           H  
HETATM   41  H   UNL     1       3.538   1.885   4.723  1.00  0.00           H  
HETATM   42  H   UNL     1       4.761   2.941   3.976  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.873  -2.090  -1.881  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.995  -3.338  -1.880  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.426  -5.032  -0.146  1.00  0.00           H  
HETATM   46  H   UNL     1       0.392  -4.238   1.579  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.735  -5.479   1.586  1.00  0.00           H  
HETATM   48  H   UNL     1       8.866  -1.897  -0.744  1.00  0.00           H  
HETATM   49  H   UNL     1       7.916   2.237  -1.385  1.00  0.00           H  
HETATM   50  H   UNL     1      10.707  -1.713  -2.365  1.00  0.00           H  
HETATM   51  H   UNL     1       9.762   2.398  -3.002  1.00  0.00           H  
HETATM   52  H   UNL     1      11.156   0.430  -3.486  1.00  0.00           H  
HETATM   53  N   UNL     1      -3.600   0.215   0.054  1.00  0.00           N  
HETATM   54  C   UNL     1      -1.968   2.037   0.070  1.00  0.00           C  
HETATM   55  H   UNL     1      -2.162   0.516  -1.443  1.00  0.00           H  
HETATM   56  C   UNL     1      -2.903   2.984  -0.686  1.00  0.00           C  
HETATM   57  H   UNL     1      -2.139   2.136   1.142  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.933   2.290  -0.158  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.938   2.730  -0.458  1.00  0.00           H  
HETATM   60  C   UNL     1      -2.628   4.404  -0.263  1.00  0.00           C  
HETATM   61  H   UNL     1      -2.732   2.884  -1.758  1.00  0.00           H  
HETATM   62  O   UNL     1      -3.334   5.412  -0.799  1.00  0.00           O  
HETATM   63  O   UNL     1      -1.773   4.635   0.558  1.00  0.00           O  
HETATM   64  H   UNL     1      -3.737  -0.253   0.893  1.00  0.00           H  
HETATM   65  C   UNL     1      -4.654   0.516  -0.730  1.00  0.00           C  
HETATM   66  H   UNL     1      -3.122   6.306  -0.496  1.00  0.00           H  
HETATM   67  O   UNL     1      -5.897   0.167  -0.350  1.00  0.00           O  
HETATM   68  O   UNL     1      -4.481   1.102  -1.781  1.00  0.00           O  
HETATM   69  C   UNL     1      -6.984   0.523  -1.245  1.00  0.00           C  
HETATM   70  H   UNL     1      -7.010   1.605  -1.373  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.829   0.046  -2.213  1.00  0.00           H  
HETATM   72  C   UNL     1      -8.291   0.055  -0.658  1.00  0.00           C  
HETATM   73  C   UNL     1      -9.012   0.889   0.176  1.00  0.00           C  
HETATM   74  C   UNL     1     -10.211   0.461   0.714  1.00  0.00           C  
HETATM   75  C   UNL     1     -10.689  -0.802   0.418  1.00  0.00           C  
HETATM   76  C   UNL     1      -9.969  -1.636  -0.417  1.00  0.00           C  
HETATM   77  C   UNL     1      -8.772  -1.205  -0.958  1.00  0.00           C  
HETATM   78  H   UNL     1       5.749  -2.189   2.156  1.00  0.00           H  
HETATM   79  H   UNL     1       7.566  -2.057   0.558  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.639   1.876   0.408  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.774   1.112   1.367  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.625  -1.138   0.839  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.342  -2.623  -0.648  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.211  -1.855  -1.614  1.00  0.00           H  
CONECT    1    7   29    5                                            
CONECT    2   10   30    9                                            
CONECT    3    5    5                                                 
CONECT    4    9    9                                                 
CONECT    5    1    3    3   31                                       
CONECT    6   16   16                                                 
CONECT    7    1    8   32    9                                       
CONECT    8    7   33   34   19                                       
CONECT    9    4    4    7    2                                       
CONECT   10    2   14   35   11                                       
CONECT   11   10   36   37   12                                       
CONECT   12   11   38   39   13                                       
CONECT   13   12   40   41   42                                       
CONECT   14   10   15   15   78                                       
CONECT   15   14   14   16   79                                       
CONECT   16    6    6   23   15                                       
CONECT   17   43   18   19   19                                       
CONECT   18   17   44   20   20                                       
CONECT   19    8   17   17   21                                       
CONECT   20   18   18   45   22                                       
CONECT   21   19   46   22   22                                       
CONECT   22   21   21   20   47                                       
CONECT   23   16   25   25   24                                       
CONECT   24   26   26   23   48                                       
CONECT   25   23   23   27   49                                       
CONECT   26   24   24   28   50                                       
CONECT   27   25   51   28   28                                       
CONECT   28   26   27   27   52                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5   53   54   55                                       
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   31   64   65                                            
CONECT   54   31   56   57   58                                       
CONECT   55   31                                                      
CONECT   56   54   59   60   61                                       
CONECT   57   54                                                      
CONECT   58   54                                                      
CONECT   59   56                                                      
CONECT   60   56   62   63   63                                       
CONECT   61   56                                                      
CONECT   62   60   66                                                 
CONECT   63   60   60                                                 
CONECT   64   53                                                      
CONECT   65   53   67   68   68                                       
CONECT   66   62                                                      
CONECT   67   65   69                                                 
CONECT   68   65   65                                                 
CONECT   69   67   70   71   72                                       
CONECT   70   69                                                      
CONECT   71   69                                                      
CONECT   72   69   73   73   77                                       
CONECT   73   72   72   74   80                                       
CONECT   74   73   75   75   81                                       
CONECT   75   74   74   76   82                                       
CONECT   76   75   77   77   83                                       
CONECT   77   72   76   76   84                                       
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   73                                                      
CONECT   81   74                                                      
CONECT   82   75                                                      
CONECT   83   76                                                      
CONECT   84   77                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
