COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.826   0.678   0.843  1.00  0.00           O  
HETATM    2  C   UNL     1       6.938   1.031  -0.312  1.00  0.00           C  
HETATM    3  N   UNL     1       8.153   1.334  -0.809  1.00  0.00           N  
HETATM    4  C   UNL     1       9.338   1.243   0.048  1.00  0.00           C  
HETATM    5  C   UNL     1       8.289   1.755  -2.205  1.00  0.00           C  
HETATM    6  C   UNL     1       5.719   1.125  -1.192  1.00  0.00           C  
HETATM    7  C   UNL     1       4.497   0.729  -0.403  1.00  0.00           C  
HETATM    8  C   UNL     1       4.096  -0.592  -0.372  1.00  0.00           C  
HETATM    9  C   UNL     1       3.785   1.689   0.291  1.00  0.00           C  
HETATM   10  C   UNL     1       2.655   1.330   1.002  1.00  0.00           C  
HETATM   11  C   UNL     1       2.239   0.006   1.028  1.00  0.00           C  
HETATM   12  C   UNL     1       2.973  -0.967   0.357  1.00  0.00           C  
HETATM   13  N   UNL     1       2.639  -2.318   0.438  1.00  0.00           N  
HETATM   14  C   UNL     1       1.426  -2.845   0.420  1.00  0.00           C  
HETATM   15  O   UNL     1       1.347  -4.057   0.486  1.00  0.00           O  
HETATM   16  N   UNL     1       1.066  -0.330   1.717  1.00  0.00           N  
HETATM   17  C   UNL     1       0.002  -0.880   1.013  1.00  0.00           C  
HETATM   18  C   UNL     1       0.167  -2.098   0.326  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.887  -2.605  -0.444  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.088  -1.938  -0.495  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.218  -0.222   0.982  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.267  -0.754   0.223  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.573  -0.054   0.185  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.624  -0.576  -0.566  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.842   0.083  -0.597  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.870  -0.423  -1.329  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.623  -1.637  -2.041  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.756   1.126   0.906  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.973   1.775   0.869  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.014   1.260   0.119  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.317   1.962   0.084  1.00  0.00           N1+
HETATM   32  O   UNL     1      -7.469   2.994   0.711  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.236   1.507  -0.573  1.00  0.00           O1-
HETATM   34  H   UNL     1       9.042   0.917   1.044  1.00  0.00           H  
HETATM   35  H   UNL     1      10.039   0.524  -0.377  1.00  0.00           H  
HETATM   36  H   UNL     1       9.816   2.221   0.113  1.00  0.00           H  
HETATM   37  H   UNL     1       8.194   2.839  -2.269  1.00  0.00           H  
HETATM   38  H   UNL     1       9.266   1.454  -2.582  1.00  0.00           H  
HETATM   39  H   UNL     1       7.508   1.286  -2.804  1.00  0.00           H  
HETATM   40  H   UNL     1       5.605   2.149  -1.548  1.00  0.00           H  
HETATM   41  H   UNL     1       5.833   0.455  -2.045  1.00  0.00           H  
HETATM   42  H   UNL     1       4.657  -1.338  -0.917  1.00  0.00           H  
HETATM   43  H   UNL     1       4.111   2.718   0.279  1.00  0.00           H  
HETATM   44  H   UNL     1       2.095   2.081   1.539  1.00  0.00           H  
HETATM   45  H   UNL     1       3.378  -2.941   0.516  1.00  0.00           H  
HETATM   46  H   UNL     1       0.998  -0.180   2.673  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.756  -3.522  -0.999  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.897  -2.332  -1.093  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.352   0.693   1.539  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.489  -1.491  -1.123  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.807  -1.485  -2.748  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.351  -2.423  -1.336  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.523  -1.930  -2.582  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.945   1.531   1.493  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.113   2.689   1.428  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    6    1    1    3                                       
CONECT    3    2    4    5                                            
CONECT    4    3   34   35   36                                       
CONECT    5    3   37   38   39                                       
CONECT    6    2    7   40   41                                       
CONECT    7    6    9    8    8                                       
CONECT    8    7    7   12   42                                       
CONECT    9    7   10   10   43                                       
CONECT   10    9    9   44   11                                       
CONECT   11   10   16   12   12                                       
CONECT   12    8   11   11   13                                       
CONECT   13   12   14   45                                            
CONECT   14   13   18   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   11   46   17                                            
CONECT   17   16   21   21   18                                       
CONECT   18   14   17   19   19                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   22   22   48                                       
CONECT   21   17   17   49   22                                       
CONECT   22   20   20   21   23                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27                                                 
CONECT   27   26   51   52   53                                       
CONECT   28   23   29   29   54                                       
CONECT   29   28   28   30   55                                       
CONECT   30   25   25   29   31                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
