COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.151  -1.825   0.084  1.00  0.00           N  
HETATM    2  C   UNL     1       1.128   1.629  -0.347  1.00  0.00           C  
HETATM    3  C   UNL     1       0.121   0.850  -2.405  1.00  0.00           C  
HETATM    4  N   UNL     1       6.853  -2.074   0.083  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.691   0.169  -1.378  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.790   0.836   0.063  1.00  0.00           O  
HETATM    7  C   UNL     1       8.068  -2.579   0.130  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.889  -0.474  -0.946  1.00  0.00           O  
HETATM    9  C   UNL     1       4.169  -0.363  -0.065  1.00  0.00           C  
HETATM   10  C   UNL     1       2.002   0.382  -0.192  1.00  0.00           C  
HETATM   11  N   UNL     1       7.328   1.354  -0.166  1.00  0.00           N  
HETATM   12  C   UNL     1       6.026   1.342  -0.176  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.160   1.696   0.337  1.00  0.00           O  
HETATM   14  C   UNL     1       7.790   0.084  -0.068  1.00  0.00           C  
HETATM   15  O   UNL     1       0.031   3.234   0.384  1.00  0.00           O  
HETATM   16  C   UNL     1       6.668  -0.762  -0.015  1.00  0.00           C  
HETATM   17  N   UNL     1       5.572   0.060  -0.085  1.00  0.00           N  
HETATM   18  N   UNL     1      10.206   0.280  -0.062  1.00  0.00           N  
HETATM   19  C   UNL     1       9.066  -0.502  -0.014  1.00  0.00           C  
HETATM   20  O   UNL     1       3.334   0.636  -0.688  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.446  -0.569  -0.834  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.388  -1.628  -0.602  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.206  -3.614  -0.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.480  -4.981  -0.072  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.727  -4.472   0.068  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.287  -2.715  -0.284  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.488  -0.214  -0.616  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.744   1.736   0.643  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.230   2.248   1.987  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.135   4.069   0.844  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.942   4.950   0.573  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.346   3.670  -0.683  1.00  0.00           C  
HETATM   33  C   UNL     1       0.301   3.224  -1.969  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.051   0.952   0.847  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.869  -0.352   0.047  1.00  0.00           C  
HETATM   36  C   UNL     1       2.195   0.044   1.303  1.00  0.00           C  
HETATM   37  C   UNL     1       3.654  -0.458   1.388  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.747  -1.470  -0.502  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.018   3.065   1.759  1.00  0.00           N  
HETATM   40  N   UNL     1      -1.371   4.576  -0.745  1.00  0.00           N  
HETATM   41  N   UNL     1       0.921   1.907  -1.774  1.00  0.00           N  
HETATM   42  N   UNL     1      -2.078  -2.895  -0.458  1.00  0.00           N  
HETATM   43  N   UNL     1      -2.457  -5.913  -0.050  1.00  0.00           N  
HETATM   44  N   UNL     1      -4.745  -5.354   0.090  1.00  0.00           N  
HETATM   45  N   UNL     1      -5.517  -3.184  -0.109  1.00  0.00           N  
HETATM   46  O   UNL     1      -4.181   4.251   0.258  1.00  0.00           O  
HETATM   47  O   UNL     1       1.286  -0.982   1.706  1.00  0.00           O  
HETATM   48  O   UNL     1       3.693  -1.811   1.846  1.00  0.00           O  
HETATM   49  H   UNL     1       0.165   1.460   0.135  1.00  0.00           H  
HETATM   50  H   UNL     1       1.624   2.480   0.121  1.00  0.00           H  
HETATM   51  H   UNL     1       0.784   0.128  -2.882  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.536   1.290  -3.155  1.00  0.00           H  
HETATM   53  H   UNL     1       8.184  -3.649   0.210  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.781  -0.564  -0.584  1.00  0.00           H  
HETATM   55  H   UNL     1       4.056  -1.322  -0.571  1.00  0.00           H  
HETATM   56  H   UNL     1       1.555  -0.461  -0.718  1.00  0.00           H  
HETATM   57  H   UNL     1       5.399   2.218  -0.245  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.012   1.250   0.438  1.00  0.00           H  
HETATM   59  H   UNL     1      10.131   1.244  -0.134  1.00  0.00           H  
HETATM   60  H   UNL     1      11.082  -0.137  -0.024  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.741  -4.819   0.199  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.610   0.051  -1.667  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.916   2.572  -0.035  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.997   2.858   2.463  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.984   1.402   2.629  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.254   5.994   0.555  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.195   4.804   1.354  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.455   3.158  -2.752  1.00  0.00           H  
HETATM   69  H   UNL     1       1.064   3.946  -2.260  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.198   0.731   1.904  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.884  -1.213   0.716  1.00  0.00           H  
HETATM   72  H   UNL     1       2.061   0.934   1.917  1.00  0.00           H  
HETATM   73  H   UNL     1       4.241   0.183   2.046  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.189   2.896   2.233  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.697   4.944  -1.581  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.660  -6.852   0.086  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.538  -5.627  -0.169  1.00  0.00           H  
HETATM   78  H   UNL     1       1.364  -1.234   2.637  1.00  0.00           H  
HETATM   79  H   UNL     1       3.325  -1.938   2.731  1.00  0.00           H  
CONECT    1   19    7    7                                            
CONECT    2   10   41   49   50                                       
CONECT    3   41    5   51   52                                       
CONECT    4   16   16    7                                            
CONECT    5    3   21   21   21                                       
CONECT    6   28   27                                                 
CONECT    7    1    1    4   53                                       
CONECT    8   35   54                                                 
CONECT    9   37   17   20   55                                       
CONECT   10   36   20    2   56                                       
CONECT   11   14   12   12                                            
CONECT   12   11   11   17   57                                       
CONECT   13   34   58                                                 
CONECT   14   19   19   11   16                                       
CONECT   15   32   32                                                 
CONECT   16   14   17    4    4                                       
CONECT   17   12   16    9                                            
CONECT   18   19   59   60                                            
CONECT   19   18   14   14    1                                       
CONECT   20    9   10                                                 
CONECT   21    5    5    5   22                                       
CONECT   22   42   42   21   38                                       
CONECT   23   24   42   26   26                                       
CONECT   24   43   44   44   23                                       
CONECT   25   44   45   45   61                                       
CONECT   26   23   23   45   38                                       
CONECT   27    6   38   35   62                                       
CONECT   28   29    6   34   63                                       
CONECT   29   39   28   64   65                                       
CONECT   30   39   31   46   46                                       
CONECT   31   40   30   66   67                                       
CONECT   32   33   40   15   15                                       
CONECT   33   41   32   68   69                                       
CONECT   34   28   35   13   70                                       
CONECT   35   27   34    8   71                                       
CONECT   36   37   47   10   72                                       
CONECT   37   48   36    9   73                                       
CONECT   38   22   26   27                                            
CONECT   39   29   30   74                                            
CONECT   40   31   32   75                                            
CONECT   41    2   33    3                                            
CONECT   42   23   22   22                                            
CONECT   43   24   76   77                                            
CONECT   44   24   24   25                                            
CONECT   45   25   25   26                                            
CONECT   46   30   30                                                 
CONECT   47   36   78                                                 
CONECT   48   37   79                                                 
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   47                                                      
CONECT   79   48                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
