COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.823  -0.766  -1.015  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.901  -0.256  -0.410  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.050   0.964   0.144  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.340   1.610  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.623  -0.973  -0.276  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.571  -0.475   0.379  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.525  -1.222   0.408  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.807  -2.682  -0.432  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.405  -2.201  -0.800  1.00  0.00           C  
HETATM   10  C   UNL     1       0.771  -0.861   1.088  1.00  0.00           C  
HETATM   11  N   UNL     1       1.258  -2.013   1.858  1.00  0.00           N  
HETATM   12  C   UNL     1       1.810  -0.475   0.034  1.00  0.00           C  
HETATM   13  C   UNL     1       3.084   0.012   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1       4.123   0.397  -0.327  1.00  0.00           C  
HETATM   15  N   UNL     1       5.343   0.863   0.337  1.00  0.00           N  
HETATM   16  C   UNL     1       6.423   1.266  -0.413  1.00  0.00           C  
HETATM   17  N   UNL     1       6.361   1.234  -1.714  1.00  0.00           N  
HETATM   18  N   UNL     1       7.568   1.703   0.211  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.319   2.955   0.658  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.812   4.004   0.048  1.00  0.00           C  
HETATM   21  H   UNL     1      -5.545   1.743  -1.085  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.117   0.989   0.423  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.123  -2.781  -1.361  1.00  0.00           H  
HETATM   24  H   UNL     1       0.605  -0.019   1.760  1.00  0.00           H  
HETATM   25  H   UNL     1       1.419  -2.807   1.257  1.00  0.00           H  
HETATM   26  H   UNL     1       2.092  -1.776   2.375  1.00  0.00           H  
HETATM   27  H   UNL     1       2.041  -1.343  -0.583  1.00  0.00           H  
HETATM   28  H   UNL     1       1.412   0.322  -0.595  1.00  0.00           H  
HETATM   29  H   UNL     1       2.853   0.880   1.344  1.00  0.00           H  
HETATM   30  H   UNL     1       3.482  -0.785   1.356  1.00  0.00           H  
HETATM   31  H   UNL     1       4.354  -0.471  -0.944  1.00  0.00           H  
HETATM   32  H   UNL     1       3.725   1.194  -0.956  1.00  0.00           H  
HETATM   33  H   UNL     1       5.389   0.887   1.306  1.00  0.00           H  
HETATM   34  H   UNL     1       7.123   1.518  -2.243  1.00  0.00           H  
HETATM   35  H   UNL     1       7.614   1.727   1.179  1.00  0.00           H  
HETATM   36  H   UNL     1       8.330   1.988  -0.318  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.899   3.053   1.647  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.798   4.968   0.536  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.233   3.906  -0.941  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4                                                 
CONECT    4    3   19   21   22                                       
CONECT    5    2    6    9    9                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6   10    8                                       
CONECT    8    7    9                                                 
CONECT    9    5    5    8   23                                       
CONECT   10   11    7   12   24                                       
CONECT   11   10   25   26                                            
CONECT   12   13   10   27   28                                       
CONECT   13   14   12   29   30                                       
CONECT   14   15   13   31   32                                       
CONECT   15   14   16   33                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   34                                            
CONECT   18   16   35   36                                            
CONECT   19    4   20   20   37                                       
CONECT   20   19   19   38   39                                       
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
