COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.274  -3.687  -0.289  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.425  -3.162  -0.054  1.00  0.00           N  
HETATM    3  N   UNL     1      -3.404  -2.530   1.067  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.153   0.065   1.334  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.723   1.052   0.312  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.061  -0.776   0.667  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.114  -0.577  -1.479  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.248   0.272  -0.897  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.059  -0.392  -2.699  1.00  0.00           C  
HETATM   10  C   UNL     1       0.991   4.062  -0.428  1.00  0.00           C  
HETATM   11  C   UNL     1       1.034   3.754   1.072  1.00  0.00           C  
HETATM   12  C   UNL     1       1.392   2.808  -1.209  1.00  0.00           C  
HETATM   13  C   UNL     1       2.782   2.040   0.587  1.00  0.00           C  
HETATM   14  C   UNL     1       2.437   3.263   1.441  1.00  0.00           C  
HETATM   15  C   UNL     1       1.409   3.124  -2.706  1.00  0.00           C  
HETATM   16  C   UNL     1       5.152  -2.863  -0.129  1.00  0.00           C  
HETATM   17  C   UNL     1       6.184  -1.869  -0.671  1.00  0.00           C  
HETATM   18  C   UNL     1       3.755  -2.246  -0.236  1.00  0.00           C  
HETATM   19  C   UNL     1       4.636  -0.026  -0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       6.068  -0.554   0.107  1.00  0.00           C  
HETATM   21  C   UNL     1       2.725  -3.208   0.358  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.006  -3.803   0.857  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.449  -3.391   0.721  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.165  -2.648   1.597  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.529  -1.806   1.666  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.609  -1.451  -0.467  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.065   0.279  -1.937  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.716   1.188  -1.890  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.792   1.791   0.905  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.595   0.785   2.435  1.00  0.00           O  
HETATM   31  O   UNL     1       2.693   2.386  -0.796  1.00  0.00           O  
HETATM   32  O   UNL     1       2.469   2.904   2.824  1.00  0.00           O  
HETATM   33  O   UNL     1       0.733   4.939   1.812  1.00  0.00           O  
HETATM   34  O   UNL     1       1.902   5.122  -0.724  1.00  0.00           O  
HETATM   35  O   UNL     1       1.669   1.928  -3.443  1.00  0.00           O  
HETATM   36  O   UNL     1       3.725  -1.011   0.483  1.00  0.00           O  
HETATM   37  O   UNL     1       6.976   0.405  -0.438  1.00  0.00           O  
HETATM   38  O   UNL     1       7.498  -2.407  -0.507  1.00  0.00           O  
HETATM   39  O   UNL     1       5.202  -4.069  -0.894  1.00  0.00           O  
HETATM   40  S   UNL     1       4.470   1.493   0.967  1.00  0.00           S  
HETATM   41  S   UNL     1       1.057  -2.545   0.098  1.00  0.00           S  
HETATM   42  H   UNL     1      -6.949  -0.588   1.693  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.939   1.739  -0.008  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.247  -0.126   0.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.492  -1.166  -2.313  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.065  -0.377  -0.585  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.300   0.326  -3.010  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.598  -1.168  -2.089  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.513  -0.844  -3.581  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.019   4.360  -0.709  1.00  0.00           H  
HETATM   51  H   UNL     1       0.302   2.982   1.307  1.00  0.00           H  
HETATM   52  H   UNL     1       0.673   2.013  -1.014  1.00  0.00           H  
HETATM   53  H   UNL     1       2.081   1.234   0.806  1.00  0.00           H  
HETATM   54  H   UNL     1       3.162   4.055   1.253  1.00  0.00           H  
HETATM   55  H   UNL     1       0.442   3.531  -3.003  1.00  0.00           H  
HETATM   56  H   UNL     1       2.190   3.856  -2.914  1.00  0.00           H  
HETATM   57  H   UNL     1       5.373  -3.085   0.915  1.00  0.00           H  
HETATM   58  H   UNL     1       5.993  -1.685  -1.728  1.00  0.00           H  
HETATM   59  H   UNL     1       3.519  -2.062  -1.285  1.00  0.00           H  
HETATM   60  H   UNL     1       4.411   0.187  -1.055  1.00  0.00           H  
HETATM   61  H   UNL     1       6.307  -0.729   1.156  1.00  0.00           H  
HETATM   62  H   UNL     1       2.810  -4.179  -0.131  1.00  0.00           H  
HETATM   63  H   UNL     1       2.908  -3.322   1.426  1.00  0.00           H  
HETATM   64  H   UNL     1       0.246  -3.902   1.913  1.00  0.00           H  
HETATM   65  H   UNL     1       0.147  -4.759   0.356  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.817  -2.232   2.532  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.321  -2.510   1.919  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.193  -1.296   2.569  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.059   0.762  -2.687  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.201   2.437   0.312  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.231   1.344   2.902  1.00  0.00           H  
HETATM   72  H   UNL     1       3.328   2.578   3.126  1.00  0.00           H  
HETATM   73  H   UNL     1       0.743   4.817   2.772  1.00  0.00           H  
HETATM   74  H   UNL     1       1.710   5.948  -0.258  1.00  0.00           H  
HETATM   75  H   UNL     1       1.694   2.053  -4.401  1.00  0.00           H  
HETATM   76  H   UNL     1       6.956   1.263   0.007  1.00  0.00           H  
HETATM   77  H   UNL     1       8.203  -1.829  -0.829  1.00  0.00           H  
HETATM   78  H   UNL     1       6.060  -4.515  -0.871  1.00  0.00           H  
CONECT    1    2    2   23                                            
CONECT    2    1    1    3                                            
CONECT    3    2   24   25                                            
CONECT    4    6   30    5   42                                       
CONECT    5    4    8   29   43                                       
CONECT    6   25   26    4   44                                       
CONECT    7   26   27    8   45                                       
CONECT    8    7    5   28   46                                       
CONECT    9   27   47   48   49                                       
CONECT   10   12   34   11   50                                       
CONECT   11   10   14   33   51                                       
CONECT   12   15   31   10   52                                       
CONECT   13   31   40   14   53                                       
CONECT   14   13   11   32   54                                       
CONECT   15   35   12   55   56                                       
CONECT   16   39   17   18   57                                       
CONECT   17   38   16   20   58                                       
CONECT   18   16   36   21   59                                       
CONECT   19   20   36   40   60                                       
CONECT   20   17   37   19   61                                       
CONECT   21   18   41   62   63                                       
CONECT   22   23   41   64   65                                       
CONECT   23    1   22   24   24                                       
CONECT   24   23   23    3   66                                       
CONECT   25    3    6   67   68                                       
CONECT   26    6    7                                                 
CONECT   27    7    9                                                 
CONECT   28    8   69                                                 
CONECT   29    5   70                                                 
CONECT   30    4   71                                                 
CONECT   31   12   13                                                 
CONECT   32   14   72                                                 
CONECT   33   11   73                                                 
CONECT   34   10   74                                                 
CONECT   35   15   75                                                 
CONECT   36   18   19                                                 
CONECT   37   20   76                                                 
CONECT   38   17   77                                                 
CONECT   39   16   78                                                 
CONECT   40   19   13                                                 
CONECT   41   22   21                                                 
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
