COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.827  -0.295  -0.194  1.00  0.00           C  
HETATM    2  O   UNL     1       4.016  -0.547   0.977  1.00  0.00           O  
HETATM    3  C   UNL     1       4.997  -0.172  -1.136  1.00  0.00           C  
HETATM    4  C   UNL     1       6.298  -0.408  -0.367  1.00  0.00           C  
HETATM    5  C   UNL     1       7.486  -0.283  -1.324  1.00  0.00           C  
HETATM    6  N   UNL     1       8.732  -0.508  -0.587  1.00  0.00           N  
HETATM    7  C   UNL     1       9.939  -0.446  -1.242  1.00  0.00           C  
HETATM    8  N   UNL     1       9.974  -0.187  -2.519  1.00  0.00           N  
HETATM    9  N   UNL     1      11.108  -0.658  -0.551  1.00  0.00           N  
HETATM   10  N   UNL     1       2.571  -0.131  -0.654  1.00  0.00           N  
HETATM   11  C   UNL     1       1.433  -0.257   0.260  1.00  0.00           C  
HETATM   12  C   UNL     1       0.202  -0.642  -0.519  1.00  0.00           C  
HETATM   13  O   UNL     1       0.269  -0.797  -1.720  1.00  0.00           O  
HETATM   14  C   UNL     1       1.194   1.081   0.963  1.00  0.00           C  
HETATM   15  C   UNL     1       2.376   1.407   1.839  1.00  0.00           C  
HETATM   16  C   UNL     1       3.437   2.130   1.327  1.00  0.00           C  
HETATM   17  C   UNL     1       2.396   0.989   3.156  1.00  0.00           C  
HETATM   18  C   UNL     1       4.521   2.429   2.131  1.00  0.00           C  
HETATM   19  C   UNL     1       3.480   1.288   3.960  1.00  0.00           C  
HETATM   20  C   UNL     1       4.544   2.006   3.447  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.972  -0.815   0.119  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.169  -1.190  -0.639  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.207  -2.710  -0.812  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.107  -3.383   0.558  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.109  -3.124  -1.628  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.398  -0.739   0.108  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.345  -0.549   1.304  1.00  0.00           O  
HETATM   28  N   UNL     1      -4.556  -0.547  -0.554  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.776  -0.215   0.185  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.431  -1.484   0.668  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.740   0.538  -0.733  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.135   1.864  -1.118  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.347   1.962  -2.249  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.373   2.983  -0.342  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.792   3.177  -2.602  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.818   4.199  -0.695  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.025   4.296  -1.823  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.929  -2.555   0.420  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.145  -2.686   1.806  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.571  -1.424   1.374  1.00  0.00           O  
HETATM   41  H   UNL     1       4.904  -0.914  -1.929  1.00  0.00           H  
HETATM   42  H   UNL     1       5.008   0.827  -1.572  1.00  0.00           H  
HETATM   43  H   UNL     1       6.391   0.334   0.426  1.00  0.00           H  
HETATM   44  H   UNL     1       6.286  -1.406   0.069  1.00  0.00           H  
HETATM   45  H   UNL     1       7.393  -1.025  -2.117  1.00  0.00           H  
HETATM   46  H   UNL     1       7.497   0.716  -1.760  1.00  0.00           H  
HETATM   47  H   UNL     1       8.705  -0.702   0.363  1.00  0.00           H  
HETATM   48  H   UNL     1      10.826  -0.143  -2.982  1.00  0.00           H  
HETATM   49  H   UNL     1      11.082  -0.852   0.399  1.00  0.00           H  
HETATM   50  H   UNL     1      11.960  -0.614  -1.014  1.00  0.00           H  
HETATM   51  H   UNL     1       2.420   0.070  -1.591  1.00  0.00           H  
HETATM   52  H   UNL     1       1.648  -1.024   1.004  1.00  0.00           H  
HETATM   53  H   UNL     1       1.067   1.866   0.217  1.00  0.00           H  
HETATM   54  H   UNL     1       0.295   1.014   1.576  1.00  0.00           H  
HETATM   55  H   UNL     1       3.420   2.460   0.299  1.00  0.00           H  
HETATM   56  H   UNL     1       1.564   0.428   3.558  1.00  0.00           H  
HETATM   57  H   UNL     1       5.351   2.993   1.731  1.00  0.00           H  
HETATM   58  H   UNL     1       3.496   0.961   4.989  1.00  0.00           H  
HETATM   59  H   UNL     1       5.391   2.239   4.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.025  -0.692   1.079  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.143  -0.713  -1.618  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.143  -2.997  -1.291  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.945  -3.067   1.180  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.134  -4.465   0.434  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.171  -3.095   1.037  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.154  -2.806  -2.539  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.581  -0.627  -1.521  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.524   0.412   1.040  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.923  -0.052  -1.631  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.682   0.707  -0.211  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.164   1.088  -2.857  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.993   2.908   0.539  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.175   3.254  -3.485  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.004   5.074  -0.089  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.591   5.246  -2.099  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.372  -3.300   0.935  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.433  -3.210   2.444  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.062  -2.495   2.365  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   41   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7   47                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   48                                            
CONECT    9    7   49   50                                            
CONECT   10   11   51    1                                            
CONECT   11   10   12   14   52                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   53   54                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   55                                       
CONECT   17   15   19   19   56                                       
CONECT   18   16   20   20   57                                       
CONECT   19   17   17   20   58                                       
CONECT   20   18   18   19   59                                       
CONECT   21   22   60   12                                            
CONECT   22   21   23   26   61                                       
CONECT   23   22   24   25   62                                       
CONECT   24   23   63   64   65                                       
CONECT   25   23   66                                                 
CONECT   26   22   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   29   67   26                                            
CONECT   29   28   30   31   68                                       
CONECT   30   29   38   38   40                                       
CONECT   31   29   32   69   70                                       
CONECT   32   31   33   34   34                                       
CONECT   33   32   35   35   71                                       
CONECT   34   32   32   36   72                                       
CONECT   35   33   33   37   73                                       
CONECT   36   34   37   37   74                                       
CONECT   37   35   36   36   75                                       
CONECT   38   30   30                                                 
CONECT   39   76   40   77   78                                       
CONECT   40   30   39                                                 
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
