COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.646   1.669   0.423  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.076  -0.533   0.254  1.00  0.00           N  
HETATM    3  C   UNL     1       3.211  -0.226   0.249  1.00  0.00           C  
HETATM    4  C   UNL     1       2.401  -1.301  -0.128  1.00  0.00           C  
HETATM    5  C   UNL     1       1.045  -1.255   0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       0.481  -0.140   0.719  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.746  -0.660   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.439  -0.960  -0.207  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.211  -3.159   0.957  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.272   2.181   0.778  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.545   1.211  -1.276  1.00  0.00           C  
HETATM   12  N   UNL     1       5.442   0.769   0.356  1.00  0.00           N  
HETATM   13  C   UNL     1       4.663  -0.269  -0.008  1.00  0.00           C  
HETATM   14  O   UNL     1       5.156  -1.241  -0.547  1.00  0.00           O  
HETATM   15  C   UNL     1       6.810   0.728   0.115  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.412  -1.529  -1.241  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.621  -1.694   1.123  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.054   0.684   0.540  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.777   2.704  -1.020  1.00  0.00           C  
HETATM   20  C   UNL     1       1.284   0.933   1.094  1.00  0.00           C  
HETATM   21  C   UNL     1       2.641   0.893   0.863  1.00  0.00           C  
HETATM   22  C   UNL     1       8.915   1.464   0.120  1.00  0.00           C  
HETATM   23  C   UNL     1       9.161   0.294  -0.472  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.003  -1.146  -0.700  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.892  -0.096   0.956  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.710   0.472  -0.016  1.00  0.00           N  
HETATM   27  O   UNL     1      -7.076   2.888  -0.450  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.316  -1.285  -0.872  1.00  0.00           O  
HETATM   29  S   UNL     1       7.634  -0.570  -0.632  1.00  0.00           S  
HETATM   30  H   UNL     1      -3.419  -0.034   1.012  1.00  0.00           H  
HETATM   31  H   UNL     1       2.838  -2.167  -0.603  1.00  0.00           H  
HETATM   32  H   UNL     1       0.419  -2.085  -0.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.151  -3.213   0.710  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.395  -3.696   1.887  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.795  -3.611   0.155  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.287   2.349   1.137  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.559   2.539   1.521  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.268   0.850  -2.007  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.535   1.061  -1.657  1.00  0.00           H  
HETATM   40  H   UNL     1       5.049   1.544   0.786  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.435  -1.397  -0.890  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.283  -1.006  -2.188  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.211  -2.591  -1.382  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.997  -1.227   1.885  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.667  -1.642   1.427  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.146   0.149   1.485  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.802   0.315  -0.162  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.020   3.076  -0.329  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.712   3.249  -1.961  1.00  0.00           H  
HETATM   50  H   UNL     1       0.843   1.797   1.568  1.00  0.00           H  
HETATM   51  H   UNL     1       3.263   1.725   1.155  1.00  0.00           H  
HETATM   52  H   UNL     1       9.690   2.184   0.335  1.00  0.00           H  
HETATM   53  H   UNL     1      10.128  -0.061  -0.797  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.889  -0.670  -1.674  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.784  -2.210  -0.787  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.234   0.340   1.752  1.00  0.00           H  
CONECT    1   22   15   15                                            
CONECT    2    7   24   30                                            
CONECT    3   13    4    4   21                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5   20   25                                       
CONECT    7   28   28   25    2                                       
CONECT    8   24   16   17   26                                       
CONECT    9   17   33   34   35                                       
CONECT   10   18   27   36   37                                       
CONECT   11   26   19   38   39                                       
CONECT   12   15   13   40                                            
CONECT   13   12   14   14    3                                       
CONECT   14   13   13                                                 
CONECT   15    1    1   29   12                                       
CONECT   16    8   41   42   43                                       
CONECT   17    9    8   44   45                                       
CONECT   18   26   10   46   47                                       
CONECT   19   11   27   48   49                                       
CONECT   20   21   21    6   50                                       
CONECT   21    3   20   20   51                                       
CONECT   22   23   23    1   52                                       
CONECT   23   22   22   29   53                                       
CONECT   24    2    8   54   55                                       
CONECT   25    6    7   56                                            
CONECT   26    8   11   18                                            
CONECT   27   19   10                                                 
CONECT   28    7    7                                                 
CONECT   29   23   15                                                 
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
