COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.721   1.508  -0.380  1.00  0.00           O  
HETATM    2  N   UNL     1      10.334   0.781  -1.278  1.00  0.00           N1+
HETATM    3  O   UNL     1      11.136   0.294  -2.055  1.00  0.00           O1-
HETATM    4  C   UNL     1       8.891   0.484  -1.420  1.00  0.00           C  
HETATM    5  C   UNL     1       7.985   1.031  -0.536  1.00  0.00           C  
HETATM    6  C   UNL     1       8.454  -0.338  -2.444  1.00  0.00           C  
HETATM    7  C   UNL     1       7.107  -0.621  -2.584  1.00  0.00           C  
HETATM    8  C   UNL     1       6.190  -0.085  -1.703  1.00  0.00           C  
HETATM    9  C   UNL     1       6.625   0.749  -0.671  1.00  0.00           C  
HETATM   10  C   UNL     1       5.648   1.332   0.273  1.00  0.00           C  
HETATM   11  O   UNL     1       6.029   2.059   1.170  1.00  0.00           O  
HETATM   12  N   UNL     1       4.335   1.059   0.139  1.00  0.00           N  
HETATM   13  C   UNL     1       3.421   1.534   1.087  1.00  0.00           C  
HETATM   14  C   UNL     1       3.623   2.766   1.692  1.00  0.00           C  
HETATM   15  C   UNL     1       2.719   3.233   2.627  1.00  0.00           C  
HETATM   16  C   UNL     1       1.612   2.475   2.962  1.00  0.00           C  
HETATM   17  C   UNL     1       1.404   1.247   2.364  1.00  0.00           C  
HETATM   18  C   UNL     1       2.302   0.774   1.421  1.00  0.00           C  
HETATM   19  O   UNL     1       2.096  -0.432   0.828  1.00  0.00           O  
HETATM   20  C   UNL     1       0.928  -1.157   1.219  1.00  0.00           C  
HETATM   21  C   UNL     1       0.867  -2.458   0.463  1.00  0.00           C  
HETATM   22  C   UNL     1       1.860  -2.778  -0.445  1.00  0.00           C  
HETATM   23  C   UNL     1       1.804  -3.972  -1.139  1.00  0.00           C  
HETATM   24  C   UNL     1       0.755  -4.846  -0.926  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.238  -4.528  -0.018  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.179  -3.336   0.680  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.261  -2.989   1.670  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.206  -2.055   1.052  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.263  -1.603   1.755  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.433  -1.970   2.902  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.217  -0.661   1.132  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.313  -0.191   1.857  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.199   0.688   1.269  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.022  -0.234  -0.183  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.916   0.646  -0.758  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.004   1.104  -0.036  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.975   2.064  -0.671  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.045   1.310  -1.337  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.866   0.584  -0.358  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.917  -0.250  -1.095  1.00  0.00           C  
HETATM   41  N   UNL     1     -10.749   0.635  -1.922  1.00  0.00           N  
HETATM   42  C   UNL     1     -11.518   1.566  -1.087  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.928   1.361  -2.901  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.877   2.195  -2.164  1.00  0.00           C  
HETATM   45  H   UNL     1       8.328   1.675   0.260  1.00  0.00           H  
HETATM   46  H   UNL     1       9.167  -0.760  -3.137  1.00  0.00           H  
HETATM   47  H   UNL     1       6.772  -1.264  -3.385  1.00  0.00           H  
HETATM   48  H   UNL     1       5.139  -0.306  -1.814  1.00  0.00           H  
HETATM   49  H   UNL     1       4.024   0.532  -0.614  1.00  0.00           H  
HETATM   50  H   UNL     1       4.487   3.360   1.433  1.00  0.00           H  
HETATM   51  H   UNL     1       2.878   4.192   3.097  1.00  0.00           H  
HETATM   52  H   UNL     1       0.909   2.844   3.694  1.00  0.00           H  
HETATM   53  H   UNL     1       0.538   0.657   2.628  1.00  0.00           H  
HETATM   54  H   UNL     1       0.968  -1.360   2.289  1.00  0.00           H  
HETATM   55  H   UNL     1       0.041  -0.564   0.995  1.00  0.00           H  
HETATM   56  H   UNL     1       2.679  -2.094  -0.611  1.00  0.00           H  
HETATM   57  H   UNL     1       2.579  -4.221  -1.848  1.00  0.00           H  
HETATM   58  H   UNL     1       0.711  -5.779  -1.469  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.057  -5.211   0.148  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.787  -3.896   1.966  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.813  -2.524   2.549  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.071  -1.763   0.137  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.468  -0.515   2.875  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.048   1.053   1.829  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.174  -0.590  -0.748  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.766   0.978  -1.775  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.407   2.706   0.098  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.452   2.678  -1.404  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.229  -0.074   0.234  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.364   1.297   0.300  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.419  -0.981  -1.732  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.545  -0.767  -0.370  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.834   2.178  -0.499  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.125   2.210  -1.724  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.167   1.002  -0.417  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.430   0.648  -3.559  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.565   2.019  -3.493  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.375   2.926  -1.527  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.249   2.712  -2.889  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    2                                                      
CONECT    4    6    2    5    5                                       
CONECT    5    4    4    9   45                                       
CONECT    6    7    7    4   46                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8    5   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   49                                            
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   50                                       
CONECT   15   14   14   16   51                                       
CONECT   16   17   17   15   52                                       
CONECT   17   18   16   16   53                                       
CONECT   18   19   13   13   17                                       
CONECT   19   20   18                                                 
CONECT   20   21   19   54   55                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   56                                       
CONECT   23   24   24   22   57                                       
CONECT   24   23   23   25   58                                       
CONECT   25   24   26   26   59                                       
CONECT   26   25   25   21   27                                       
CONECT   27   26   28   60   61                                       
CONECT   28   29   27   62                                            
CONECT   29   31   28   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   34   34   32   29                                       
CONECT   32   33   33   31   63                                       
CONECT   33   36   32   32   64                                       
CONECT   34   35   31   31   65                                       
CONECT   35   36   36   34   66                                       
CONECT   36   37   35   35   33                                       
CONECT   37   36   38   67   68                                       
CONECT   38   37   39   44                                            
CONECT   39   38   40   69   70                                       
CONECT   40   39   41   71   72                                       
CONECT   41   40   42   43                                            
CONECT   42   41   73   74   75                                       
CONECT   43   44   41   76   77                                       
CONECT   44   38   43   78   79                                       
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
