COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.269  -1.286  -0.999  1.00  0.00           O  
HETATM    2  O   UNL     1       2.421  -2.880   0.432  1.00  0.00           O  
HETATM    3  C   UNL     1       2.235  -1.684   0.304  1.00  0.00           C  
HETATM    4  C   UNL     1       3.369  -0.787   0.088  1.00  0.00           C  
HETATM    5  C   UNL     1       3.139   0.694  -0.071  1.00  0.00           C  
HETATM    6  C   UNL     1       4.623  -1.286   0.030  1.00  0.00           C  
HETATM    7  C   UNL     1       5.774  -0.375  -0.021  1.00  0.00           C  
HETATM    8  C   UNL     1       6.863  -0.664  -0.853  1.00  0.00           C  
HETATM    9  C   UNL     1       7.935   0.189  -0.898  1.00  0.00           C  
HETATM   10  C   UNL     1       7.943   1.342  -0.116  1.00  0.00           C  
HETATM   11  N   UNL     1       9.034   2.204  -0.164  1.00  0.00           N  
HETATM   12  C   UNL     1       9.045   3.417   0.657  1.00  0.00           C  
HETATM   13  C   UNL     1      10.171   1.900  -1.036  1.00  0.00           C  
HETATM   14  C   UNL     1       6.863   1.633   0.713  1.00  0.00           C  
HETATM   15  C   UNL     1       5.784   0.789   0.759  1.00  0.00           C  
HETATM   16  N   UNL     1       0.984  -1.186   0.362  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.153  -2.085   0.579  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.608  -2.672  -0.761  1.00  0.00           C  
HETATM   19  O   UNL     1       0.436  -3.475  -1.316  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.925  -1.514  -1.707  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.362  -2.042  -2.961  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.004  -0.619  -1.147  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.315  -1.304   1.187  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.914  -0.785   2.501  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.006  -0.025   3.123  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.462  -1.872   3.380  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.716  -0.133   0.286  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.039   0.281   0.723  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.987  -0.461  -0.059  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.838   0.444  -0.766  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.883   1.003   0.032  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.068   0.073   0.032  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.023  -0.962  -0.589  1.00  0.00           O  
HETATM   34  O   UNL     1      -8.174   0.396   0.720  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.297   2.358  -0.546  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.341   2.918   0.252  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.093   3.302  -0.546  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.448   4.527  -1.192  1.00  0.00           O  
HETATM   39  H   UNL     1       3.236   1.182   0.899  1.00  0.00           H  
HETATM   40  H   UNL     1       3.878   1.105  -0.759  1.00  0.00           H  
HETATM   41  H   UNL     1       2.138   0.866  -0.466  1.00  0.00           H  
HETATM   42  H   UNL     1       4.779  -2.354   0.021  1.00  0.00           H  
HETATM   43  H   UNL     1       6.857  -1.558  -1.459  1.00  0.00           H  
HETATM   44  H   UNL     1       8.775  -0.034  -1.539  1.00  0.00           H  
HETATM   45  H   UNL     1       9.493   3.197   1.625  1.00  0.00           H  
HETATM   46  H   UNL     1       9.626   4.191   0.155  1.00  0.00           H  
HETATM   47  H   UNL     1       8.022   3.767   0.802  1.00  0.00           H  
HETATM   48  H   UNL     1       9.832   1.846  -2.070  1.00  0.00           H  
HETATM   49  H   UNL     1      10.922   2.683  -0.940  1.00  0.00           H  
HETATM   50  H   UNL     1      10.605   0.943  -0.746  1.00  0.00           H  
HETATM   51  H   UNL     1       6.873   2.528   1.317  1.00  0.00           H  
HETATM   52  H   UNL     1       4.945   1.018   1.399  1.00  0.00           H  
HETATM   53  H   UNL     1       0.836  -0.233   0.260  1.00  0.00           H  
HETATM   54  H   UNL     1       0.141  -2.891   1.251  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.501  -3.280  -0.612  1.00  0.00           H  
HETATM   56  H   UNL     1       0.213  -3.877  -2.166  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.021  -0.925  -1.865  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.708  -2.603  -3.401  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.127   0.248  -1.795  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.169  -1.970   1.309  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.873  -0.674   3.253  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.683   0.347   4.095  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.274   0.815   2.483  1.00  0.00           H  
HETATM   64  H   UNL     1       0.393  -2.375   2.927  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.171  -1.461   4.347  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.273  -2.588   3.519  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.985   0.675   0.310  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.589  -1.090   0.596  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.527   1.138   1.054  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.909  -0.232   0.690  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.652   2.223  -1.568  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.095   3.065   1.175  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.792   3.507   0.481  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.265   2.836  -1.081  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.731   5.174  -1.228  1.00  0.00           H  
CONECT    1   22   29                                                 
CONECT    2    3    3                                                 
CONECT    3    2    2    4   16                                       
CONECT    4    5    3    6    6                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4    4    7   42                                       
CONECT    7    8    6   15   15                                       
CONECT    8    9    9    7   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10    9   11   14   14                                       
CONECT   11   12   10   13                                            
CONECT   12   11   45   46   47                                       
CONECT   13   11   48   49   50                                       
CONECT   14   10   10   15   51                                       
CONECT   15    7    7   14   52                                       
CONECT   16    3   17   53                                            
CONECT   17   16   18   23   54                                       
CONECT   18   19   17   20   55                                       
CONECT   19   18   56                                                 
CONECT   20   18   21   22   57                                       
CONECT   21   20   58                                                 
CONECT   22   20   27    1   59                                       
CONECT   23   17   24   27   60                                       
CONECT   24   23   25   26                                            
CONECT   25   24   61   62   63                                       
CONECT   26   24   64   65   66                                       
CONECT   27   23   22   28   67                                       
CONECT   28   27   29                                                 
CONECT   29    1   28   30   68                                       
CONECT   30   29   31                                                 
CONECT   31   32   30   35   69                                       
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   32   70                                                 
CONECT   35   31   36   37   71                                       
CONECT   36   35   72                                                 
CONECT   37   35   38   73   74                                       
CONECT   38   37   75                                                 
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
