COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.694   5.043  -0.662  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.821   4.977   0.371  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.836   6.086   0.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.514   3.616   0.283  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.567   3.555   1.248  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.499   2.507   0.565  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.870   2.746   1.826  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.205   1.176   0.599  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.251   0.540   1.631  1.00  0.00           O  
HETATM   10  N   UNL     1      -5.786   0.692  -0.516  1.00  0.00           N  
HETATM   11  P   UNL     1      -6.555  -0.756  -0.479  1.00  0.00           P  
HETATM   12  O   UNL     1      -7.103  -1.058  -1.820  1.00  0.00           O  
HETATM   13  O   UNL     1      -7.756  -0.698   0.592  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.512  -1.906  -0.054  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.451  -2.347  -0.903  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.248  -1.590  -0.649  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.043  -3.802  -0.556  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.581  -3.858  -1.062  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.760  -4.582  -0.143  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.146  -2.381  -1.126  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.975  -2.169  -0.271  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.987  -1.736   1.021  1.00  0.00           C  
HETATM   23  N   UNL     1       0.230  -1.661   1.476  1.00  0.00           N  
HETATM   24  C   UNL     1       1.098  -2.040   0.507  1.00  0.00           C  
HETATM   25  C   UNL     1       0.335  -2.377  -0.624  1.00  0.00           C  
HETATM   26  N   UNL     1       0.957  -2.791  -1.723  1.00  0.00           N  
HETATM   27  C   UNL     1       2.269  -2.889  -1.754  1.00  0.00           C  
HETATM   28  N   UNL     1       3.028  -2.588  -0.716  1.00  0.00           N  
HETATM   29  C   UNL     1       2.496  -2.157   0.423  1.00  0.00           C  
HETATM   30  N   UNL     1       3.299  -1.845   1.506  1.00  0.00           N  
HETATM   31  P   UNL     1       4.929  -1.989   1.387  1.00  0.00           P  
HETATM   32  O   UNL     1       5.553  -1.598   2.670  1.00  0.00           O  
HETATM   33  O   UNL     1       5.310  -3.515   1.046  1.00  0.00           O  
HETATM   34  O   UNL     1       5.467  -1.027   0.213  1.00  0.00           O  
HETATM   35  C   UNL     1       5.569   0.392   0.355  1.00  0.00           C  
HETATM   36  C   UNL     1       7.025   0.822   0.156  1.00  0.00           C  
HETATM   37  O   UNL     1       7.478   0.392  -1.129  1.00  0.00           O  
HETATM   38  O   UNL     1       7.115   2.246   0.241  1.00  0.00           O  
HETATM   39  C   UNL     1       6.354   2.938  -0.752  1.00  0.00           C  
HETATM   40  C   UNL     1       6.548   4.447  -0.582  1.00  0.00           C  
HETATM   41  O   UNL     1       7.910   4.785  -0.847  1.00  0.00           O  
HETATM   42  C   UNL     1       4.871   2.593  -0.589  1.00  0.00           C  
HETATM   43  O   UNL     1       4.115   3.238  -1.616  1.00  0.00           O  
HETATM   44  C   UNL     1       4.694   1.075  -0.700  1.00  0.00           C  
HETATM   45  O   UNL     1       3.324   0.737  -0.477  1.00  0.00           O  
HETATM   46  H   UNL     1      -4.109   4.911  -1.661  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.200   6.012  -0.599  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.970   4.253  -0.461  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.406   5.109   1.370  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.251   5.954  -0.910  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.639   6.039   0.825  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.342   7.056   0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.929   3.484  -0.716  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.270   3.665   2.161  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.744   2.497  -0.221  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.484   2.767   2.573  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.750   1.201  -1.342  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.469  -0.504   1.495  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.741  -2.267  -1.951  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.089  -3.973   0.520  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.667  -4.519  -1.089  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.537  -4.314  -2.051  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.026  -5.503  -0.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.911  -2.108  -2.154  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.875  -1.491   1.584  1.00  0.00           H  
HETATM   66  H   UNL     1       2.743  -3.230  -2.663  1.00  0.00           H  
HETATM   67  H   UNL     1       2.898  -1.542   2.336  1.00  0.00           H  
HETATM   68  H   UNL     1       4.933  -3.839   0.217  1.00  0.00           H  
HETATM   69  H   UNL     1       5.235   0.683   1.350  1.00  0.00           H  
HETATM   70  H   UNL     1       7.646   0.372   0.930  1.00  0.00           H  
HETATM   71  H   UNL     1       8.394   0.631  -1.323  1.00  0.00           H  
HETATM   72  H   UNL     1       6.691   2.638  -1.743  1.00  0.00           H  
HETATM   73  H   UNL     1       5.899   4.977  -1.280  1.00  0.00           H  
HETATM   74  H   UNL     1       6.294   4.733   0.438  1.00  0.00           H  
HETATM   75  H   UNL     1       8.106   5.727  -0.758  1.00  0.00           H  
HETATM   76  H   UNL     1       4.523   2.931   0.387  1.00  0.00           H  
HETATM   77  H   UNL     1       4.185   4.203  -1.608  1.00  0.00           H  
HETATM   78  H   UNL     1       4.995   0.745  -1.694  1.00  0.00           H  
HETATM   79  H   UNL     1       2.711   1.136  -1.110  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    4    3    1   49                                       
CONECT    3    2   50   51   52                                       
CONECT    4    5    6    2   53                                       
CONECT    5    4   54                                                 
CONECT    6    8    4    7   55                                       
CONECT    7    6   56                                                 
CONECT    8    9    9   10    6                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   57                                            
CONECT   11   12   12   14   13                                       
CONECT   11   10                                                      
CONECT   12   11   11                                                 
CONECT   13   11   58                                                 
CONECT   14   15   11                                                 
CONECT   15   17   16   14   59                                       
CONECT   16   20   15                                                 
CONECT   17   18   15   60   61                                       
CONECT   18   19   17   20   62                                       
CONECT   19   18   63                                                 
CONECT   20   18   16   21   64                                       
CONECT   21   20   25   22                                            
CONECT   22   21   23   23   65                                       
CONECT   23   22   22   24                                            
CONECT   24   25   25   23   29                                       
CONECT   25   21   26   24   24                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   66                                       
CONECT   28   27   29   29                                            
CONECT   29   24   28   28   30                                       
CONECT   30   29   31   67                                            
CONECT   31   32   32   30   33                                       
CONECT   31   34                                                      
CONECT   32   31   31                                                 
CONECT   33   31   68                                                 
CONECT   34   31   35                                                 
CONECT   35   34   44   36   69                                       
CONECT   36   35   38   37   70                                       
CONECT   37   36   71                                                 
CONECT   38   36   39                                                 
CONECT   39   42   38   40   72                                       
CONECT   40   41   39   73   74                                       
CONECT   41   40   75                                                 
CONECT   42   44   43   39   76                                       
CONECT   43   42   77                                                 
CONECT   44   45   35   42   78                                       
CONECT   45   44   79                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   27                                                      
CONECT   67   30                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
