COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -11.702  -2.029   1.673  1.00  0.00           N1+
HETATM    2  C   UNL     1     -11.663  -0.925   0.706  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.380  -0.995  -0.162  1.00  0.00           C  
HETATM    4  N   UNL     1     -10.192   0.409  -0.605  1.00  0.00           N  
HETATM    5  C   UNL     1     -10.544   1.251   0.559  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.515   0.433   1.431  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.822   0.581  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.912   0.156   0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.554   0.328  -0.095  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.109   0.931  -1.286  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.045   1.352  -2.236  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.379   1.178  -2.005  1.00  0.00           C  
HETATM   13  N   UNL     1      -5.418   0.025   0.632  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.341   0.438  -0.109  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.755   0.973  -1.232  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.928   0.305   0.299  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.963  -0.050  -0.642  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.640  -0.172  -0.253  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.277   0.061   1.088  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.260   0.416   2.020  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.560   0.535   1.630  1.00  0.00           C  
HETATM   22  N   UNL     1       0.527  -0.499  -0.917  1.00  0.00           N  
HETATM   23  C   UNL     1       1.539  -0.458   0.005  1.00  0.00           C  
HETATM   24  N   UNL     1       1.054  -0.133   1.180  1.00  0.00           N  
HETATM   25  C   UNL     1       2.960  -0.742  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       3.956   0.030   0.316  1.00  0.00           C  
HETATM   27  C   UNL     1       5.286  -0.243   0.044  1.00  0.00           C  
HETATM   28  C   UNL     1       5.625  -1.294  -0.829  1.00  0.00           C  
HETATM   29  C   UNL     1       4.611  -2.059  -1.418  1.00  0.00           C  
HETATM   30  C   UNL     1       3.304  -1.786  -1.148  1.00  0.00           C  
HETATM   31  N   UNL     1       6.481   0.316   0.458  1.00  0.00           N  
HETATM   32  C   UNL     1       7.485  -0.386  -0.154  1.00  0.00           C  
HETATM   33  N   UNL     1       6.971  -1.325  -0.912  1.00  0.00           N  
HETATM   34  C   UNL     1       8.929  -0.121   0.010  1.00  0.00           C  
HETATM   35  C   UNL     1       9.398   1.193   0.070  1.00  0.00           C  
HETATM   36  C   UNL     1      10.745   1.436   0.228  1.00  0.00           C  
HETATM   37  C   UNL     1      11.638   0.375   0.316  1.00  0.00           C  
HETATM   38  C   UNL     1      11.176  -0.934   0.256  1.00  0.00           C  
HETATM   39  C   UNL     1       9.829  -1.185   0.104  1.00  0.00           C  
HETATM   40  O   UNL     1      12.965   0.618   0.466  1.00  0.00           O  
HETATM   41  C   UNL     1      13.125   2.038   0.493  1.00  0.00           C  
HETATM   42  H   UNL     1     -12.501  -1.917   2.279  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.774  -2.906   1.180  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.857  -2.023   2.225  1.00  0.00           H  
HETATM   45  H   UNL     1     -12.554  -0.931   0.078  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.531  -1.652  -1.018  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.531  -1.328   0.435  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.646   1.490   1.129  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.029   2.167   0.223  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.097   0.286   2.427  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.480   0.935   1.495  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.258  -0.307   1.041  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.712   1.816  -3.153  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.097   1.505  -2.742  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.388  -0.399   1.503  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.245  -0.227  -1.670  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.987   0.597   3.049  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.313   0.810   2.354  1.00  0.00           H  
HETATM   59  H   UNL     1       0.614  -0.716  -1.859  1.00  0.00           H  
HETATM   60  H   UNL     1       3.692   0.835   0.986  1.00  0.00           H  
HETATM   61  H   UNL     1       4.866  -2.867  -2.088  1.00  0.00           H  
HETATM   62  H   UNL     1       2.527  -2.380  -1.605  1.00  0.00           H  
HETATM   63  H   UNL     1       6.589   1.064   1.066  1.00  0.00           H  
HETATM   64  H   UNL     1       8.704   2.018  -0.002  1.00  0.00           H  
HETATM   65  H   UNL     1      11.108   2.452   0.275  1.00  0.00           H  
HETATM   66  H   UNL     1      11.873  -1.756   0.328  1.00  0.00           H  
HETATM   67  H   UNL     1       9.471  -2.202   0.057  1.00  0.00           H  
HETATM   68  H   UNL     1      14.180   2.283   0.613  1.00  0.00           H  
HETATM   69  H   UNL     1      12.757   2.463  -0.441  1.00  0.00           H  
HETATM   70  H   UNL     1      12.559   2.452   1.328  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    3    6   45                                       
CONECT    3    2    4   46   47                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   48   49                                       
CONECT    6    2    5   50   51                                       
CONECT    7    4    8    8   12                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   11   15                                       
CONECT   11   10   12   12   53                                       
CONECT   12    7   11   11   54                                       
CONECT   13    9   14   55                                            
CONECT   14   13   15   15   16                                       
CONECT   15   10   14   14                                            
CONECT   16   14   17   17   21                                       
CONECT   17   16   16   18   56                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   24                                       
CONECT   20   19   21   21   57                                       
CONECT   21   16   20   20   58                                       
CONECT   22   18   23   59                                            
CONECT   23   22   24   24   25                                       
CONECT   24   19   23   23                                            
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   60                                       
CONECT   27   26   28   28   31                                       
CONECT   28   27   27   29   33                                       
CONECT   29   28   30   30   61                                       
CONECT   30   25   29   29   62                                       
CONECT   31   27   32   63                                            
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32                                            
CONECT   34   32   35   39   39                                       
CONECT   35   34   36   36   64                                       
CONECT   36   35   35   37   65                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37   39   66                                       
CONECT   39   34   34   38   67                                       
CONECT   40   37   41                                                 
CONECT   41   40   68   69   70                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   41                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
