COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.841  -3.527   0.514  1.00  0.00           C  
HETATM    2  C   UNL     1       5.729  -1.304  -0.173  1.00  0.00           C  
HETATM    3  C   UNL     1       5.628   0.076  -0.214  1.00  0.00           C  
HETATM    4  C   UNL     1       7.730   0.347  -1.495  1.00  0.00           C  
HETATM    5  C   UNL     1       8.399   1.411  -1.978  1.00  0.00           C  
HETATM    6  C   UNL     1       6.649   2.186  -0.979  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.526   2.741   1.268  1.00  0.00           C  
HETATM    8  C   UNL     1       4.547   0.712   0.385  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.454   0.999  -0.159  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.527  -0.361  -0.669  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.364  -0.159  -2.035  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.239  -2.058  -0.730  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.459   1.911   0.520  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.019  -1.594  -0.208  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.143  -1.225   0.814  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.868   2.127   0.811  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.236   1.688   1.412  1.00  0.00           C  
HETATM   18  C   UNL     1       2.401   0.669   1.670  1.00  0.00           C  
HETATM   19  C   UNL     1       3.570  -0.029   1.023  1.00  0.00           C  
HETATM   20  C   UNL     1       3.661  -1.405   1.070  1.00  0.00           C  
HETATM   21  C   UNL     1       4.743  -2.053   0.471  1.00  0.00           C  
HETATM   22  N   UNL     1       6.616   0.833  -0.860  1.00  0.00           N  
HETATM   23  N   UNL     1       7.721   2.519  -1.644  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.341  -0.157  -0.009  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.226   0.316  -1.574  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.866  -1.312  -1.633  1.00  0.00           N  
HETATM   27  N   UNL     1      -7.773  -3.265  -0.315  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.127  -2.068   0.695  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.449   4.116   0.887  1.00  0.00           O  
HETATM   30  O   UNL     1       5.886  -4.150  -0.064  1.00  0.00           O  
HETATM   31  O   UNL     1       3.981  -4.176   1.075  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.107   0.653   0.231  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.661   3.104   0.133  1.00  0.00           O  
HETATM   34  S   UNL     1       1.057   0.841   0.464  1.00  0.00           S  
HETATM   35  H   UNL     1       6.567  -1.800  -0.641  1.00  0.00           H  
HETATM   36  H   UNL     1       8.013  -0.691  -1.594  1.00  0.00           H  
HETATM   37  H   UNL     1       9.323   1.378  -2.537  1.00  0.00           H  
HETATM   38  H   UNL     1       5.910   2.871  -0.589  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.405   2.636   2.346  1.00  0.00           H  
HETATM   40  H   UNL     1       4.471   1.789   0.352  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.470   1.358  -1.188  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.907   0.417  -2.771  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.169   2.411  -0.403  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.293  -1.353   1.469  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.411   1.718   1.663  1.00  0.00           H  
HETATM   46  H   UNL     1       0.140   2.650   1.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.518   1.076   2.269  1.00  0.00           H  
HETATM   48  H   UNL     1       2.053   0.083   2.520  1.00  0.00           H  
HETATM   49  H   UNL     1       2.711   1.656   2.011  1.00  0.00           H  
HETATM   50  H   UNL     1       2.895  -1.980   1.569  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.304  -3.802   0.344  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.615  -3.575  -0.682  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.134   4.673   1.281  1.00  0.00           H  
HETATM   54  H   UNL     1       5.909  -5.115  -0.006  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.899   3.866   0.680  1.00  0.00           H  
CONECT    1   21   30   31   31                                       
CONECT    2   21    3    3   35                                       
CONECT    3    2    2   22    8                                       
CONECT    4   22    5    5   36                                       
CONECT    5    4    4   23   37                                       
CONECT    6   22   23   23   38                                       
CONECT    7   29   16   13   39                                       
CONECT    8   19   19    3   40                                       
CONECT    9   32   24   16   41                                       
CONECT   10   24   25   14   14                                       
CONECT   11   25   25   26   42                                       
CONECT   12   26   26   14   27                                       
CONECT   13    7   17   32   43                                       
CONECT   14   10   10   12   28                                       
CONECT   15   24   28   28   44                                       
CONECT   16    7    9   33   45                                       
CONECT   17   13   34   46   47                                       
CONECT   18   34   19   48   49                                       
CONECT   19   18    8    8   20                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20    1    2                                       
CONECT   22    3    6    4                                            
CONECT   23    5    6    6                                            
CONECT   24    9   15   10                                            
CONECT   25   10   11   11                                            
CONECT   26   11   12   12                                            
CONECT   27   12   51   52                                            
CONECT   28   14   15   15                                            
CONECT   29    7   53                                                 
CONECT   30    1   54                                                 
CONECT   31    1    1                                                 
CONECT   32   13    9                                                 
CONECT   33   16   55                                                 
CONECT   34   17   18                                                 
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
