COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.726  -4.923   1.229  1.00  0.00           O1-
HETATM    2  N   UNL     1       3.550  -4.466   0.457  1.00  0.00           N1+
HETATM    3  O   UNL     1       4.352  -5.204  -0.085  1.00  0.00           O  
HETATM    4  C   UNL     1       3.573  -3.013   0.174  1.00  0.00           C  
HETATM    5  C   UNL     1       2.658  -2.176   0.786  1.00  0.00           C  
HETATM    6  C   UNL     1       4.513  -2.494  -0.697  1.00  0.00           C  
HETATM    7  C   UNL     1       4.536  -1.139  -0.962  1.00  0.00           C  
HETATM    8  C   UNL     1       3.616  -0.298  -0.354  1.00  0.00           C  
HETATM    9  C   UNL     1       2.677  -0.820   0.524  1.00  0.00           C  
HETATM   10  O   UNL     1       3.638   1.036  -0.613  1.00  0.00           O  
HETATM   11  C   UNL     1       2.661   1.842   0.049  1.00  0.00           C  
HETATM   12  C   UNL     1       2.917   3.318  -0.265  1.00  0.00           C  
HETATM   13  O   UNL     1       4.199   3.698   0.241  1.00  0.00           O  
HETATM   14  C   UNL     1       1.831   4.169   0.399  1.00  0.00           C  
HETATM   15  O   UNL     1       2.021   5.542   0.050  1.00  0.00           O  
HETATM   16  C   UNL     1       0.458   3.701  -0.093  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.566   4.440   0.574  1.00  0.00           O  
HETATM   18  C   UNL     1       0.296   2.210   0.215  1.00  0.00           C  
HETATM   19  O   UNL     1       1.356   1.479  -0.407  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.048   1.720  -0.327  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.251   0.360   0.061  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.484  -0.198  -0.397  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.539  -1.684  -0.033  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.484  -2.378  -0.701  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.889  -2.259  -0.473  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.978  -3.628  -0.073  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.014  -1.457   0.188  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.278  -1.939  -0.272  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.863   0.020  -0.184  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.575   0.484   0.226  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.948   0.837   0.521  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.881   2.196   0.084  1.00  0.00           O  
HETATM   33  H   UNL     1       1.928  -2.583   1.470  1.00  0.00           H  
HETATM   34  H   UNL     1       5.229  -3.149  -1.171  1.00  0.00           H  
HETATM   35  H   UNL     1       5.271  -0.734  -1.643  1.00  0.00           H  
HETATM   36  H   UNL     1       1.962  -0.167   1.002  1.00  0.00           H  
HETATM   37  H   UNL     1       2.727   1.682   1.126  1.00  0.00           H  
HETATM   38  H   UNL     1       2.892   3.470  -1.344  1.00  0.00           H  
HETATM   39  H   UNL     1       4.935   3.195  -0.133  1.00  0.00           H  
HETATM   40  H   UNL     1       1.890   4.057   1.481  1.00  0.00           H  
HETATM   41  H   UNL     1       2.874   5.904   0.326  1.00  0.00           H  
HETATM   42  H   UNL     1       0.382   3.862  -1.168  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.522   5.395   0.427  1.00  0.00           H  
HETATM   44  H   UNL     1       0.332   2.055   1.293  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.850   2.337   0.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.049   1.791  -1.415  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.555  -0.085  -1.479  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.428  -1.799   1.045  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.599  -2.061  -0.473  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.979  -2.190  -1.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.291  -4.194  -0.450  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.953  -1.569   1.270  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.439  -2.872  -0.074  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.965   0.136  -1.263  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.928   0.426   0.279  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.792   0.794   1.599  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.541   2.773   0.491  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4    9   33                                       
CONECT    6    4    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    9    9    7   10                                       
CONECT    9    5    8    8   36                                       
CONECT   10    8   11                                                 
CONECT   11   10   19   12   37                                       
CONECT   12   11   13   14   38                                       
CONECT   13   12   39                                                 
CONECT   14   12   16   15   40                                       
CONECT   15   14   41                                                 
CONECT   16   18   14   17   42                                       
CONECT   17   16   43                                                 
CONECT   18   19   20   16   44                                       
CONECT   19   11   18                                                 
CONECT   20   21   18   45   46                                       
CONECT   21   22   20                                                 
CONECT   22   21   23   30   47                                       
CONECT   23   24   22   25   48                                       
CONECT   24   23   49                                                 
CONECT   25   23   26   27   50                                       
CONECT   26   25   51                                                 
CONECT   27   25   29   28   52                                       
CONECT   28   27   53                                                 
CONECT   29   30   27   31   54                                       
CONECT   30   22   29                                                 
CONECT   31   29   32   55   56                                       
CONECT   32   31   57                                                 
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
