COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.104   1.119  -0.055  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.727   1.402  -0.328  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.027   2.182   0.109  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.198   1.941   0.342  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.609   3.461   0.009  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.593   4.482   0.185  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.539  -0.205   0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.267  -2.516   0.137  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.775  -2.494   0.257  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.356  -1.160  -0.095  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.755  -1.293  -1.343  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.392  -1.150  -1.471  1.00  0.00           C  
HETATM   13  C   UNL     1       0.388  -0.870  -0.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.219  -0.736   0.906  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.584  -0.876   1.026  1.00  0.00           C  
HETATM   16  C   UNL     1       1.850  -0.716  -0.479  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.635   1.626  -0.545  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.740  -1.306   0.031  1.00  0.00           N  
HETATM   19  S   UNL     1      -6.173  -0.716   0.210  1.00  0.00           S  
HETATM   20  O   UNL     1      -3.611  -3.535   0.132  1.00  0.00           O  
HETATM   21  O   UNL     1       2.377  -0.832  -1.568  1.00  0.00           O  
HETATM   22  N   UNL     1       2.601  -0.446   0.608  1.00  0.00           N  
HETATM   23  C   UNL     1       3.971  -0.202   0.468  1.00  0.00           C  
HETATM   24  C   UNL     1       4.855  -0.609   1.458  1.00  0.00           C  
HETATM   25  C   UNL     1       6.207  -0.366   1.317  1.00  0.00           C  
HETATM   26  C   UNL     1       6.681   0.281   0.191  1.00  0.00           C  
HETATM   27  C   UNL     1       5.803   0.688  -0.798  1.00  0.00           C  
HETATM   28  C   UNL     1       4.450   0.444  -0.665  1.00  0.00           C  
HETATM   29  C   UNL     1       8.157   0.545   0.040  1.00  0.00           C  
HETATM   30  C   UNL     1       8.640   1.418   1.200  1.00  0.00           C  
HETATM   31  C   UNL     1       8.916  -0.784   0.051  1.00  0.00           C  
HETATM   32  C   UNL     1       8.414   1.268  -1.284  1.00  0.00           C  
HETATM   33  H   UNL     1      -6.373   4.369  -0.567  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.032   4.395   1.179  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.124   5.460   0.079  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.235  -3.020  -0.579  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.091  -2.927   1.207  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.359  -1.510  -2.212  1.00  0.00           H  
HETATM   39  H   UNL     1       0.074  -1.254  -2.439  1.00  0.00           H  
HETATM   40  H   UNL     1       0.380  -0.516   1.777  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.054  -0.772   1.992  1.00  0.00           H  
HETATM   42  H   UNL     1       2.191  -0.421   1.486  1.00  0.00           H  
HETATM   43  H   UNL     1       4.485  -1.114   2.338  1.00  0.00           H  
HETATM   44  H   UNL     1       6.895  -0.682   2.087  1.00  0.00           H  
HETATM   45  H   UNL     1       6.176   1.194  -1.676  1.00  0.00           H  
HETATM   46  H   UNL     1       3.766   0.757  -1.439  1.00  0.00           H  
HETATM   47  H   UNL     1       8.458   0.902   2.143  1.00  0.00           H  
HETATM   48  H   UNL     1       9.708   1.608   1.091  1.00  0.00           H  
HETATM   49  H   UNL     1       8.100   2.364   1.193  1.00  0.00           H  
HETATM   50  H   UNL     1       8.572  -1.405  -0.776  1.00  0.00           H  
HETATM   51  H   UNL     1       9.984  -0.593  -0.058  1.00  0.00           H  
HETATM   52  H   UNL     1       8.733  -1.299   0.993  1.00  0.00           H  
HETATM   53  H   UNL     1       7.873   2.215  -1.291  1.00  0.00           H  
HETATM   54  H   UNL     1       9.481   1.459  -1.393  1.00  0.00           H  
HETATM   55  H   UNL     1       8.069   0.647  -2.110  1.00  0.00           H  
CONECT    1    7    7    2    3                                       
CONECT    2   17   17   17    1                                       
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6                                                 
CONECT    6    5   33   34   35                                       
CONECT    7   18   19    1    1                                       
CONECT    8   20   20   18    9                                       
CONECT    9    8   19   36   37                                       
CONECT   10   15   18   11   11                                       
CONECT   11   10   10   12   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   14   16   12   12                                       
CONECT   14   15   15   13   40                                       
CONECT   15   14   14   10   41                                       
CONECT   16   21   21   13   22                                       
CONECT   17    2    2    2                                            
CONECT   18    8   10    7                                            
CONECT   19    9    7                                                 
CONECT   20    8    8                                                 
CONECT   21   16   16                                                 
CONECT   22   16   23   42                                            
CONECT   23   24   22   28   28                                       
CONECT   24   25   25   23   43                                       
CONECT   25   24   24   26   44                                       
CONECT   26   25   29   27   27                                       
CONECT   27   26   26   28   45                                       
CONECT   28   23   23   27   46                                       
CONECT   29   30   32   26   31                                       
CONECT   30   29   47   48   49                                       
CONECT   31   29   50   51   52                                       
CONECT   32   29   53   54   55                                       
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
