COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.800  -2.904  -2.270  1.00  0.00           C  
HETATM    2  O   UNL     1       4.646  -2.136  -1.923  1.00  0.00           O  
HETATM    3  C   UNL     1       4.793  -1.212  -0.937  1.00  0.00           C  
HETATM    4  C   UNL     1       6.023  -1.050  -0.317  1.00  0.00           C  
HETATM    5  C   UNL     1       6.174  -0.107   0.689  1.00  0.00           C  
HETATM    6  O   UNL     1       7.379   0.052   1.296  1.00  0.00           O  
HETATM    7  C   UNL     1       5.095   0.673   1.076  1.00  0.00           C  
HETATM    8  C   UNL     1       3.864   0.511   0.455  1.00  0.00           C  
HETATM    9  N   UNL     1       2.776   1.298   0.844  1.00  0.00           N  
HETATM   10  C   UNL     1       1.481   0.808   0.712  1.00  0.00           C  
HETATM   11  C   UNL     1       1.236  -0.556   0.863  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.032  -1.047   0.735  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.094  -0.182   0.452  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.461  -0.712   0.315  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.383   0.042   0.069  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.690  -2.032   0.462  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.967  -2.550   0.226  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.777  -1.988  -0.752  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.038  -2.502  -0.982  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.495  -3.576  -0.240  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.691  -4.137   0.736  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.427  -3.632   0.967  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.852   1.192   0.300  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.877   2.039   0.025  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.554   3.423  -0.116  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.827   4.215  -0.421  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.482   5.698  -0.573  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.704   6.458  -0.866  1.00  0.00           N1+
HETATM   29  C   UNL     1       0.435   1.681   0.437  1.00  0.00           C  
HETATM   30  C   UNL     1       3.715  -0.429  -0.555  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.114   6.119  -1.724  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.363   6.341  -0.110  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.477   7.436  -0.966  1.00  0.00           H  
HETATM   34  H   UNL     1       6.593  -2.237  -2.609  1.00  0.00           H  
HETATM   35  H   UNL     1       6.143  -3.460  -1.397  1.00  0.00           H  
HETATM   36  H   UNL     1       5.547  -3.602  -3.068  1.00  0.00           H  
HETATM   37  H   UNL     1       6.863  -1.658  -0.618  1.00  0.00           H  
HETATM   38  H   UNL     1       7.951   0.704   0.870  1.00  0.00           H  
HETATM   39  H   UNL     1       5.213   1.407   1.859  1.00  0.00           H  
HETATM   40  H   UNL     1       2.924   2.185   1.206  1.00  0.00           H  
HETATM   41  H   UNL     1       2.053  -1.228   1.081  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.214  -2.105   0.853  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.969  -2.622   0.732  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.421  -1.149  -1.332  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.668  -2.065  -1.743  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.481  -3.976  -0.422  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.051  -4.975   1.314  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.798  -4.074   1.725  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.112   3.790   0.811  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.843   3.549  -0.933  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.270   3.849  -1.348  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.538   4.089   0.395  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.040   6.064   0.354  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.771   5.824  -1.389  1.00  0.00           H  
HETATM   55  H   UNL     1       0.627   2.737   0.326  1.00  0.00           H  
HETATM   56  H   UNL     1       2.758  -0.553  -1.041  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   38                                                 
CONECT    7    5    5    8   39                                       
CONECT    8    7    9   30   30                                       
CONECT    9    8   10   40                                            
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   23                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   43                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   20   22   22   47                                       
CONECT   22   17   21   21   48                                       
CONECT   23   13   24   29   29                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   26   28   53   54                                       
CONECT   28   27   31   32   33                                       
CONECT   29   10   23   23   55                                       
CONECT   30    3    8    8   56                                       
CONECT   31   28                                                      
CONECT   32   28                                                      
CONECT   33   28                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
