COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.919   0.712   0.322  1.00  0.00           C  
HETATM    2  O   UNL     1       4.488   1.467   1.393  1.00  0.00           O  
HETATM    3  C   UNL     1       3.861  -0.784   0.692  1.00  0.00           C  
HETATM    4  O   UNL     1       4.584  -1.563  -0.263  1.00  0.00           O  
HETATM    5  C   UNL     1       2.361  -1.148   0.656  1.00  0.00           C  
HETATM    6  N   UNL     1       1.753  -0.141  -0.250  1.00  0.00           N  
HETATM    7  C   UNL     1       2.449   1.126   0.093  1.00  0.00           C  
HETATM    8  C   UNL     1       2.350   2.123  -1.064  1.00  0.00           C  
HETATM    9  O   UNL     1       2.990   1.577  -2.219  1.00  0.00           O  
HETATM   10  C   UNL     1       0.355   0.018   0.173  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.411  -1.278  -0.100  1.00  0.00           C  
HETATM   12  O   UNL     1       0.092  -2.315   0.745  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.898  -1.061   0.188  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.664  -2.357  -0.085  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.399  -2.795  -1.419  1.00  0.00           O  
HETATM   16  O   UNL     1      -2.400  -0.024  -0.657  1.00  0.00           O  
HETATM   17  S   UNL     1      -3.537   0.805   0.224  1.00  0.00           S  
HETATM   18  O   UNL     1      -4.673   1.634   1.106  1.00  0.00           O1-
HETATM   19  O   UNL     1      -2.381   1.189   1.353  1.00  0.00           O1-
HETATM   20  O   UNL     1      -3.803   1.813  -1.067  1.00  0.00           O1-
HETATM   21  H   UNL     1       4.499   0.854  -0.590  1.00  0.00           H  
HETATM   22  H   UNL     1       5.388   1.136   1.521  1.00  0.00           H  
HETATM   23  H   UNL     1       4.265  -0.942   1.692  1.00  0.00           H  
HETATM   24  H   UNL     1       4.476  -2.489  -0.008  1.00  0.00           H  
HETATM   25  H   UNL     1       1.928  -1.074   1.653  1.00  0.00           H  
HETATM   26  H   UNL     1       2.224  -2.153   0.255  1.00  0.00           H  
HETATM   27  H   UNL     1       2.030   1.557   1.002  1.00  0.00           H  
HETATM   28  H   UNL     1       1.301   2.316  -1.287  1.00  0.00           H  
HETATM   29  H   UNL     1       2.840   3.055  -0.783  1.00  0.00           H  
HETATM   30  H   UNL     1       2.904   2.235  -2.923  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.103   0.835  -0.385  1.00  0.00           H  
HETATM   32  H   UNL     1       0.322   0.243   1.239  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.280  -1.564  -1.143  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.043  -2.022   1.657  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.028  -0.775   1.231  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.733  -2.179   0.034  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.343  -3.124   0.620  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.900  -3.612  -1.550  1.00  0.00           H  
CONECT    1    2    3    7   21                                       
CONECT    2    1   22                                                 
CONECT    3    1    4    5   23                                       
CONECT    4    3   24                                                 
CONECT    5    3    6   25   26                                       
CONECT    6    5    7   10                                            
CONECT    7    1    6    8   27                                       
CONECT    8    7    9   28   29                                       
CONECT    9    8   30                                                 
CONECT   10    6   11   31   32                                       
CONECT   11   10   12   13   33                                       
CONECT   12   11   34                                                 
CONECT   13   11   14   16   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   38                                                 
CONECT   16   13   17                                                 
CONECT   17   16   18   19   20                                       
CONECT   18   17                                                      
CONECT   19   17                                                      
CONECT   20   17                                                      
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
