COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.488   2.118  -1.985  1.00  0.00           C  
HETATM    2  C   UNL     1       4.460  -4.358  -0.004  1.00  0.00           C  
HETATM    3  C   UNL     1       3.828  -6.750   0.057  1.00  0.00           C  
HETATM    4  C   UNL     1       2.167  -4.984   0.601  1.00  0.00           C  
HETATM    5  C   UNL     1       1.841  -3.663   0.754  1.00  0.00           C  
HETATM    6  C   UNL     1       2.840  -2.714   0.535  1.00  0.00           C  
HETATM    7  C   UNL     1       1.417  -0.789   1.037  1.00  0.00           C  
HETATM    8  C   UNL     1       5.488   0.913  -0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       5.016   3.393   0.377  1.00  0.00           C  
HETATM   10  C   UNL     1       3.479  -5.325   0.222  1.00  0.00           C  
HETATM   11  C   UNL     1       5.827   4.530   0.345  1.00  0.00           C  
HETATM   12  C   UNL     1       5.382   5.945   0.609  1.00  0.00           C  
HETATM   13  C   UNL     1       0.031   4.837  -0.903  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.566   5.063  -0.201  1.00  0.00           C  
HETATM   15  C   UNL     1       8.301   2.118  -0.467  1.00  0.00           C  
HETATM   16  C   UNL     1       3.926  -0.828   0.331  1.00  0.00           C  
HETATM   17  O   UNL     1       2.988  -7.608   0.249  1.00  0.00           O  
HETATM   18  C   UNL     1       5.856   2.335   0.074  1.00  0.00           C  
HETATM   19  C   UNL     1       4.141  -3.008   0.155  1.00  0.00           C  
HETATM   20  C   UNL     1       0.623  -0.388  -0.208  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.680   0.291   0.215  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.474   0.692  -1.031  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.909   2.695  -0.408  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.072   3.807  -0.486  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.907   5.225   0.172  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.428   6.573   0.476  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.748   4.120   0.259  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.253   2.848  -0.028  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.914   0.724  -0.378  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.361  -1.140  -0.215  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.633  -2.569  -0.438  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.722  -3.538  -0.822  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.455  -4.725  -0.898  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.914  -6.079  -1.279  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.089  -2.565   0.095  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.174  -2.508   1.622  1.00  0.00           C  
HETATM   37  C   UNL     1       0.657  -1.880   1.793  1.00  0.00           C  
HETATM   38  N   UNL     1       7.043   4.147   0.046  1.00  0.00           N  
HETATM   39  N   UNL     1       7.095   2.875  -0.124  1.00  0.00           N  
HETATM   40  N   UNL     1       4.241   0.518   0.312  1.00  0.00           N  
HETATM   41  N   UNL     1       4.767  -1.808   0.042  1.00  0.00           N  
HETATM   42  N   UNL     1       5.078  -7.100  -0.306  1.00  0.00           N  
HETATM   43  N   UNL     1       2.719  -1.332   0.641  1.00  0.00           N  
HETATM   44  N   UNL     1      -2.723   1.342  -0.626  1.00  0.00           N  
HETATM   45  N   UNL     1      -3.615   7.644   0.393  1.00  0.00           N  
HETATM   46  N   UNL     1      -4.813   1.610  -0.032  1.00  0.00           N  
HETATM   47  N   UNL     1      -4.140  -0.637  -0.485  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.694  -4.452  -0.580  1.00  0.00           N  
HETATM   49  N   UNL     1      -6.833  -3.206  -0.300  1.00  0.00           N  
HETATM   50  O   UNL     1       6.308   0.095  -0.385  1.00  0.00           O  
HETATM   51  O   UNL     1      -0.769   3.654  -0.843  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.591   6.716   0.800  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.238  -0.414   0.212  1.00  0.00           O  
HETATM   54  O   UNL     1       0.638  -3.140   1.109  1.00  0.00           O  
HETATM   55  H   UNL     1       8.590   3.144  -2.339  1.00  0.00           H  
HETATM   56  H   UNL     1       9.386   1.554  -2.241  1.00  0.00           H  
HETATM   57  H   UNL     1       7.622   1.655  -2.458  1.00  0.00           H  
HETATM   58  H   UNL     1       5.457  -4.652  -0.294  1.00  0.00           H  
HETATM   59  H   UNL     1       1.428  -5.753   0.770  1.00  0.00           H  
HETATM   60  H   UNL     1       1.560   0.081   1.679  1.00  0.00           H  
HETATM   61  H   UNL     1       3.959   3.349   0.595  1.00  0.00           H  
HETATM   62  H   UNL     1       5.483   6.166   1.671  1.00  0.00           H  
HETATM   63  H   UNL     1       6.002   6.634   0.034  1.00  0.00           H  
HETATM   64  H   UNL     1       4.340   6.059   0.311  1.00  0.00           H  
HETATM   65  H   UNL     1       1.046   4.574  -1.200  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.394   5.525  -1.633  1.00  0.00           H  
HETATM   67  H   UNL     1       0.050   5.312   0.077  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.917   5.923  -0.262  1.00  0.00           H  
HETATM   69  H   UNL     1       8.199   1.092  -0.113  1.00  0.00           H  
HETATM   70  H   UNL     1       9.167   2.580   0.006  1.00  0.00           H  
HETATM   71  H   UNL     1       1.215   0.302  -0.810  1.00  0.00           H  
HETATM   72  H   UNL     1       0.396  -1.278  -0.795  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.272  -0.399   0.816  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.453   1.181   0.802  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.883   1.382  -1.632  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.702  -0.198  -1.618  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.781   4.247   0.547  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.669  -3.405  -1.021  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.572  -6.598  -0.384  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.699  -6.661  -1.760  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.078  -5.955  -1.968  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.930  -3.139  -0.294  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.123  -1.553  -0.308  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.141  -3.520   2.026  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.334  -1.933   2.012  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.109  -2.031   1.916  1.00  0.00           H  
HETATM   87  H   UNL     1       1.129  -2.028   2.764  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.369  -1.548   1.952  1.00  0.00           H  
HETATM   89  H   UNL     1       3.566   1.178   0.534  1.00  0.00           H  
HETATM   90  H   UNL     1       5.308  -8.036  -0.414  1.00  0.00           H  
HETATM   91  H   UNL     1       5.748  -6.415  -0.459  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.687   7.530   0.134  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.958   8.530   0.592  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.420  -1.229  -0.754  1.00  0.00           H  
CONECT    1   15   55   56   57                                       
CONECT    2   19   19   10   58                                       
CONECT    3   10   17   17   42                                       
CONECT    4    5   10   10   59                                       
CONECT    5   54    6    6    4                                       
CONECT    6   43    5    5   19                                       
CONECT    7   20   43   37   60                                       
CONECT    8   40   18   50   50                                       
CONECT    9   11   18   18   61                                       
CONECT   10    4    4    2    3                                       
CONECT   11   12    9   38   38                                       
CONECT   12   11   62   63   64                                       
CONECT   13   51   65   66   67                                       
CONECT   14   25   24   24   68                                       
CONECT   15    1   39   69   70                                       
CONECT   16   40   43   41   41                                       
CONECT   17    3    3                                                 
CONECT   18    9    9   39    8                                       
CONECT   19   41    6    2    2                                       
CONECT   20   21    7   71   72                                       
CONECT   21   22   20   73   74                                       
CONECT   22   44   21   75   76                                       
CONECT   23   28   28   24   44                                       
CONECT   24   14   14   23   51                                       
CONECT   25   26   27   27   14                                       
CONECT   26   45   52   52   25                                       
CONECT   27   25   25   28   77                                       
CONECT   28   27   46   23   23                                       
CONECT   29   46   46   44   47                                       
CONECT   30   53   53   47   31                                       
CONECT   31   49   30   32   32                                       
CONECT   32   31   31   33   78                                       
CONECT   33   48   48   32   34                                       
CONECT   34   33   79   80   81                                       
CONECT   35   36   49   82   83                                       
CONECT   36   35   84   85   86                                       
CONECT   37    7   54   87   88                                       
CONECT   38   11   11   39                                            
CONECT   39   38   18   15                                            
CONECT   40    8   16   89                                            
CONECT   41   16   16   19                                            
CONECT   42    3   90   91                                            
CONECT   43    7   16    6                                            
CONECT   44   23   29   22                                            
CONECT   45   26   92   93                                            
CONECT   46   28   29   29                                            
CONECT   47   29   30   94                                            
CONECT   48   49   33   33                                            
CONECT   49   35   48   31                                            
CONECT   50    8    8                                                 
CONECT   51   13   24                                                 
CONECT   52   26   26                                                 
CONECT   53   30   30                                                 
CONECT   54   37    5                                                 
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    4                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   27                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   47                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
