COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.543  -3.713   0.527  1.00  0.00           C  
HETATM    2  C   UNL     1       5.498  -1.493  -0.070  1.00  0.00           C  
HETATM    3  C   UNL     1       5.430  -0.105  -0.067  1.00  0.00           C  
HETATM    4  C   UNL     1       6.506   0.694  -0.705  1.00  0.00           C  
HETATM    5  C   UNL     1       7.593   0.061  -1.313  1.00  0.00           C  
HETATM    6  C   UNL     1       8.570   0.850  -1.895  1.00  0.00           C  
HETATM    7  C   UNL     1       8.440   2.227  -1.856  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.693   2.692   1.368  1.00  0.00           C  
HETATM    9  C   UNL     1       6.445   2.085  -0.712  1.00  0.00           C  
HETATM   10  C   UNL     1       4.348   0.537   0.537  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.632   1.021  -0.134  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.725  -0.274  -0.726  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.532   0.016  -2.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.472  -1.929  -0.876  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.631   1.865   0.610  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.252  -1.511  -0.317  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.386  -1.219   0.749  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.040   2.125   0.867  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.429   1.584   1.515  1.00  0.00           C  
HETATM   20  C   UNL     1       2.180   0.498   1.782  1.00  0.00           C  
HETATM   21  C   UNL     1       3.345  -0.203   1.132  1.00  0.00           C  
HETATM   22  C   UNL     1       3.405  -1.582   1.133  1.00  0.00           C  
HETATM   23  C   UNL     1       4.483  -2.237   0.531  1.00  0.00           C  
HETATM   24  N   UNL     1       7.402   2.795  -1.274  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.547  -0.119  -0.040  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.393   0.449  -1.619  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.067  -1.138  -1.763  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.039  -3.138  -0.512  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.387  -2.035   0.584  1.00  0.00           N  
HETATM   30  O   UNL     1      -2.578   4.077   1.036  1.00  0.00           O  
HETATM   31  O   UNL     1       5.583  -4.343  -0.054  1.00  0.00           O  
HETATM   32  O   UNL     1       3.658  -4.359   1.051  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.301   0.632   0.267  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.798   3.142   0.210  1.00  0.00           O  
HETATM   35  S   UNL     1       0.862   0.741   0.560  1.00  0.00           S  
HETATM   36  H   UNL     1       6.331  -1.994  -0.540  1.00  0.00           H  
HETATM   37  H   UNL     1       7.670  -1.016  -1.329  1.00  0.00           H  
HETATM   38  H   UNL     1       9.425   0.396  -2.374  1.00  0.00           H  
HETATM   39  H   UNL     1       9.201   2.846  -2.309  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.594   2.547   2.444  1.00  0.00           H  
HETATM   41  H   UNL     1       5.608   2.587  -0.250  1.00  0.00           H  
HETATM   42  H   UNL     1       4.296   1.616   0.540  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.622   1.416  -1.150  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.049   0.628  -2.841  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.313   2.389  -0.290  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.552  -1.388   1.414  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.606   1.699   1.695  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.039   2.525   1.903  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.740   0.950   2.345  1.00  0.00           H  
HETATM   50  H   UNL     1       1.805  -0.109   2.605  1.00  0.00           H  
HETATM   51  H   UNL     1       2.506   1.466   2.163  1.00  0.00           H  
HETATM   52  H   UNL     1       2.618  -2.156   1.599  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.595  -3.707   0.135  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.882  -3.416  -0.904  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.259   4.636   1.437  1.00  0.00           H  
HETATM   56  H   UNL     1       5.581  -5.309  -0.028  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.029   3.889   0.778  1.00  0.00           H  
CONECT    1   23   31   32   32                                       
CONECT    2   23    3    3   36                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    9    9    5                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    7   38                                       
CONECT    7    6   24   24   39                                       
CONECT    8   30   18   15   40                                       
CONECT    9    4    4   24   41                                       
CONECT   10   21   21    3   42                                       
CONECT   11   33   25   18   43                                       
CONECT   12   25   26   16   16                                       
CONECT   13   26   26   27   44                                       
CONECT   14   27   27   16   28                                       
CONECT   15    8   19   33   45                                       
CONECT   16   12   12   14   29                                       
CONECT   17   25   29   29   46                                       
CONECT   18    8   11   34   47                                       
CONECT   19   15   35   48   49                                       
CONECT   20   35   21   50   51                                       
CONECT   21   20   10   10   22                                       
CONECT   22   21   23   23   52                                       
CONECT   23   22   22    1    2                                       
CONECT   24    7    7    9                                            
CONECT   25   11   17   12                                            
CONECT   26   12   13   13                                            
CONECT   27   13   14   14                                            
CONECT   28   14   53   54                                            
CONECT   29   16   17   17                                            
CONECT   30    8   55                                                 
CONECT   31    1   56                                                 
CONECT   32    1    1                                                 
CONECT   33   15   11                                                 
CONECT   34   18   57                                                 
CONECT   35   19   20                                                 
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
