COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.317  -0.842   0.720  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.754   0.524  -0.186  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.221  -3.435  -1.243  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.545  -2.060  -1.246  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.966  -1.760   1.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.660  -3.123   1.223  1.00  0.00           C  
HETATM    7  N   UNL     1       0.272   1.612   0.034  1.00  0.00           N  
HETATM    8  C   UNL     1       2.388   0.503   0.548  1.00  0.00           C  
HETATM    9  C   UNL     1       2.220  -1.810   1.210  1.00  0.00           C  
HETATM   10  C   UNL     1       6.658  -1.136   0.094  1.00  0.00           C  
HETATM   11  C   UNL     1       0.845  -2.029   0.577  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.184  -0.652   0.059  1.00  0.00           C  
HETATM   13  C   UNL     1       0.191  -0.701   0.304  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.030   1.631  -0.197  1.00  0.00           C  
HETATM   15  C   UNL     1       4.723  -0.555   2.007  1.00  0.00           C  
HETATM   16  C   UNL     1       6.073  -0.556   2.343  1.00  0.00           C  
HETATM   17  C   UNL     1       7.029  -0.839   1.416  1.00  0.00           C  
HETATM   18  C   UNL     1       0.907   0.472   0.287  1.00  0.00           C  
HETATM   19  N   UNL     1       2.963  -0.838   0.393  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.638   2.814  -0.451  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.943  -1.811   0.071  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.157  -3.493  -0.110  1.00  0.00           N  
HETATM   23  C   UNL     1       5.287  -1.133  -0.263  1.00  0.00           C  
HETATM   24  C   UNL     1       7.622  -1.437  -0.884  1.00  0.00           C  
HETATM   25  C   UNL     1       7.228  -1.721  -2.155  1.00  0.00           C  
HETATM   26  C   UNL     1       5.879  -1.718  -2.504  1.00  0.00           C  
HETATM   27  C   UNL     1       4.917  -1.431  -1.584  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.812   3.980  -0.452  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.437  -3.875  -0.290  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.380  -3.926   0.885  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.831  -4.176  -1.397  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.760  -4.387   0.412  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.669   5.211  -0.757  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.612   5.452   0.351  1.00  0.00           N  
HETATM   35  C   UNL     1      -2.322   6.778   0.937  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.624   7.568  -0.198  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.770   6.460  -0.876  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.003   5.376  -0.116  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.766  -3.578  -2.176  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.468  -4.217  -1.136  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.768  -2.039  -2.011  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.286  -1.291  -1.459  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.702  -0.995   0.878  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.496  -1.520   2.077  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.947  -3.872   1.569  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.495  -3.059   1.921  1.00  0.00           H  
HETATM   47  H   UNL     1       2.865   1.184  -0.158  1.00  0.00           H  
HETATM   48  H   UNL     1       2.568   0.857   1.563  1.00  0.00           H  
HETATM   49  H   UNL     1       2.100  -1.423   2.222  1.00  0.00           H  
HETATM   50  H   UNL     1       2.762  -2.755   1.242  1.00  0.00           H  
HETATM   51  H   UNL     1       0.959  -2.575  -0.359  1.00  0.00           H  
HETATM   52  H   UNL     1       0.220  -2.605   1.259  1.00  0.00           H  
HETATM   53  H   UNL     1       3.984  -0.328   2.761  1.00  0.00           H  
HETATM   54  H   UNL     1       6.367  -0.329   3.357  1.00  0.00           H  
HETATM   55  H   UNL     1       8.072  -0.839   1.697  1.00  0.00           H  
HETATM   56  H   UNL     1       8.671  -1.443  -0.627  1.00  0.00           H  
HETATM   57  H   UNL     1       7.971  -1.952  -2.904  1.00  0.00           H  
HETATM   58  H   UNL     1       5.592  -1.946  -3.520  1.00  0.00           H  
HETATM   59  H   UNL     1       3.875  -1.432  -1.869  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.345   4.096   0.526  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.040   3.878  -1.214  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.998  -4.628   1.627  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.461  -2.935   1.330  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.442  -4.424   1.261  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.142  -3.685  -0.330  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.680  -5.378  -0.034  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.219   5.060  -1.686  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.247   7.274   1.231  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.657   6.676   1.795  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.355   7.976  -0.896  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.990   8.356   0.208  1.00  0.00           H  
HETATM   72  H   UNL     1       0.166   6.312  -0.338  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.581   6.705  -1.921  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.194   4.386  -0.529  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.678   5.557   0.720  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.169   6.129  -0.887  1.00  0.00           H  
CONECT    1   23   23   15   19                                       
CONECT    2   14   14   12                                            
CONECT    3    4   22   39   40                                       
CONECT    4   21    3   41   42                                       
CONECT    5   21    6   43   44                                       
CONECT    6    5   22   45   46                                       
CONECT    7   18   18   14                                            
CONECT    8   19   18   47   48                                       
CONECT    9   19   11   49   50                                       
CONECT   10   24   17   17   23                                       
CONECT   11    9   13   51   52                                       
CONECT   12   13   13    2   21                                       
CONECT   13   18   11   12   12                                       
CONECT   14    7   20    2    2                                       
CONECT   15   16   16    1   53                                       
CONECT   16   17   15   15   54                                       
CONECT   17   10   10   16   55                                       
CONECT   18    8    7    7   13                                       
CONECT   19    1    8    9                                            
CONECT   20   14   28                                                 
CONECT   21   12    4    5                                            
CONECT   22    3    6   29                                            
CONECT   23   10   27    1    1                                       
CONECT   24   25   25   10   56                                       
CONECT   25   24   24   26   57                                       
CONECT   26   25   27   27   58                                       
CONECT   27   26   26   23   59                                       
CONECT   28   20   33   60   61                                       
CONECT   29   22   31   31   30                                       
CONECT   30   29   32   62   63                                       
CONECT   31   29   29                                                 
CONECT   32   30   64   65   66                                       
CONECT   33   37   34   28   67                                       
CONECT   34   35   33   38                                            
CONECT   35   36   34   68   69                                       
CONECT   36   35   37   70   71                                       
CONECT   37   36   33   72   73                                       
CONECT   38   34   74   75   76                                       
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
