COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.512  -1.485  -0.798  1.00  0.00           C  
HETATM    2  C   UNL     1       2.600  -2.179   0.013  1.00  0.00           C  
HETATM    3  C   UNL     1       1.344  -1.650   0.300  1.00  0.00           C  
HETATM    4  C   UNL     1       0.979  -0.415  -0.221  1.00  0.00           C  
HETATM    5  C   UNL     1       1.869   0.293  -1.030  1.00  0.00           C  
HETATM    6  C   UNL     1       3.151  -0.218  -1.339  1.00  0.00           C  
HETATM    7  C   UNL     1       4.105   0.433  -2.146  1.00  0.00           C  
HETATM    8  C   UNL     1       3.974   1.755  -2.825  1.00  0.00           C  
HETATM    9  N   UNL     1       5.193   2.013  -3.538  1.00  0.00           N  
HETATM   10  C   UNL     1       5.402   3.238  -4.324  1.00  0.00           C  
HETATM   11  C   UNL     1       5.992   4.286  -3.430  1.00  0.00           C  
HETATM   12  O   UNL     1       6.277   4.156  -2.249  1.00  0.00           O  
HETATM   13  O   UNL     1       6.177   5.438  -4.126  1.00  0.00           O  
HETATM   14  S   UNL     1       6.383   0.792  -3.408  1.00  0.00           S  
HETATM   15  O   UNL     1       7.497   1.263  -2.614  1.00  0.00           O  
HETATM   16  O   UNL     1       6.539   0.109  -4.674  1.00  0.00           O  
HETATM   17  C   UNL     1       5.346  -0.168  -2.388  1.00  0.00           C  
HETATM   18  C   UNL     1       5.709  -1.393  -1.872  1.00  0.00           C  
HETATM   19  C   UNL     1       7.001  -2.010  -2.128  1.00  0.00           C  
HETATM   20  O   UNL     1       6.918  -3.376  -2.111  1.00  0.00           O  
HETATM   21  C   UNL     1       8.129  -4.100  -2.350  1.00  0.00           C  
HETATM   22  C   UNL     1       7.857  -5.578  -2.296  1.00  0.00           C  
HETATM   23  O   UNL     1       6.778  -6.098  -2.059  1.00  0.00           O  
HETATM   24  O   UNL     1       8.994  -6.273  -2.551  1.00  0.00           O  
HETATM   25  O   UNL     1       8.048  -1.383  -2.335  1.00  0.00           O  
HETATM   26  C   UNL     1       4.778  -2.048  -1.072  1.00  0.00           C  
HETATM   27  O   UNL     1       3.010   2.497  -2.789  1.00  0.00           O  
HETATM   28  H   UNL     1       8.845  -7.243  -2.523  1.00  0.00           H  
HETATM   29  H   UNL     1       8.496  -3.836  -3.345  1.00  0.00           H  
HETATM   30  H   UNL     1       8.865  -3.825  -1.589  1.00  0.00           H  
HETATM   31  H   UNL     1       5.036  -3.020  -0.649  1.00  0.00           H  
HETATM   32  H   UNL     1       2.862  -3.149   0.434  1.00  0.00           H  
HETATM   33  H   UNL     1       0.652  -2.201   0.929  1.00  0.00           H  
HETATM   34  H   UNL     1       0.000   0.000   0.001  1.00  0.00           H  
HETATM   35  H   UNL     1       1.536   1.253  -1.412  1.00  0.00           H  
HETATM   36  H   UNL     1       4.439   3.583  -4.708  1.00  0.00           H  
HETATM   37  H   UNL     1       6.089   3.022  -5.147  1.00  0.00           H  
HETATM   38  H   UNL     1       6.563   6.145  -3.566  1.00  0.00           H  
CONECT    1   26   26    2    6                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   35                                       
CONECT    6    1    5    7    7                                       
CONECT    7    6    6    8   17                                       
CONECT    8    7   27   27    9                                       
CONECT    9    8   10   14                                            
CONECT   10    9   11   36   37                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   38                                                 
CONECT   14    9   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17    7   14   18   18                                       
CONECT   18   17   17   19   26                                       
CONECT   19   18   20   25   25                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   29   30                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   28                                                 
CONECT   25   19   19                                                 
CONECT   26    1    1   18   31                                       
CONECT   27    8    8                                                 
CONECT   28   24                                                      
CONECT   29   21                                                      
CONECT   30   21                                                      
CONECT   31   26                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
