COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.033   0.651   0.431  1.00  0.00           C  
HETATM    2  C   UNL     1       5.925  -0.415  -1.392  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.488   0.019  -1.364  1.00  0.00           N  
HETATM    4  O   UNL     1       1.579   0.735   0.421  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.783   1.861   0.119  1.00  0.00           O  
HETATM    6  O   UNL     1      -5.435  -0.355   1.074  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.825   0.382  -0.489  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.453  -1.753   0.419  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.146   0.784  -0.447  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.770  -1.341   0.468  1.00  0.00           C  
HETATM   11  C   UNL     1       6.575   1.112   0.476  1.00  0.00           C  
HETATM   12  C   UNL     1       3.289  -0.820  -0.054  1.00  0.00           C  
HETATM   13  C   UNL     1       4.200   0.375   0.233  1.00  0.00           C  
HETATM   14  N   UNL     1       0.863  -1.301  -0.096  1.00  0.00           N  
HETATM   15  C   UNL     1       1.849  -0.405   0.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.474  -0.890  -0.055  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.117  -0.076   0.031  1.00  0.00           C  
HETATM   18  C   UNL     1       5.662  -0.047   0.069  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.801   0.441   0.082  1.00  0.00           S  
HETATM   20  H   UNL     1       8.172  -0.181   1.122  1.00  0.00           H  
HETATM   21  H   UNL     1       8.282   0.329  -0.580  1.00  0.00           H  
HETATM   22  H   UNL     1       5.275  -1.240  -1.682  1.00  0.00           H  
HETATM   23  H   UNL     1       5.723   0.447  -2.027  1.00  0.00           H  
HETATM   24  H   UNL     1       6.967  -0.716  -1.509  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.421   0.220  -1.535  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.956  -0.428  -2.041  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.067   1.054  -0.862  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.183  -2.742   0.761  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.420   1.771  -0.789  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.530  -2.007   0.849  1.00  0.00           H  
HETATM   31  H   UNL     1       6.326   1.433   1.487  1.00  0.00           H  
HETATM   32  H   UNL     1       3.455  -1.168  -1.074  1.00  0.00           H  
HETATM   33  H   UNL     1       3.516  -1.625   0.645  1.00  0.00           H  
HETATM   34  H   UNL     1       3.974   1.180  -0.466  1.00  0.00           H  
HETATM   35  H   UNL     1       4.034   0.722   1.253  1.00  0.00           H  
HETATM   36  H   UNL     1       1.080  -2.230  -0.272  1.00  0.00           H  
HETATM   37  H   UNL     1       5.864  -0.909   0.704  1.00  0.00           H  
HETATM   38  H   UNL     1       8.684   1.476   0.721  1.00  0.00           H  
HETATM   39  H   UNL     1       6.436   1.944  -0.215  1.00  0.00           H  
CONECT    1   11   20   21   38                                       
CONECT    2   18   22   23   24                                       
CONECT    3   19   25   26                                            
CONECT    4   15   15                                                 
CONECT    5   19   19                                                 
CONECT    6   19   19                                                 
CONECT    7    9   27   16   16                                       
CONECT    8   10   10   28   16                                       
CONECT    9    7   17   17   29                                       
CONECT   10    8    8   17   30                                       
CONECT   11    1   31   18   39                                       
CONECT   12   15   13   32   33                                       
CONECT   13   12   18   34   35                                       
CONECT   14   16   36   15                                            
CONECT   15   12    4    4   14                                       
CONECT   16   14    7    7    8                                       
CONECT   17    9    9   10   19                                       
CONECT   18    2   13   11   37                                       
CONECT   19    3    6    6   17                                       
CONECT   19    5    5                                                 
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38    1                                                      
CONECT   39   11                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
