COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.376   0.397  -0.001  1.00  0.00           C  
HETATM    2  O   UNL     1       1.487  -2.469   0.001  1.00  0.00           O  
HETATM    3  C   UNL     1       1.229  -1.281   0.001  1.00  0.00           C  
HETATM    4  N   UNL     1       2.227  -0.375   0.001  1.00  0.00           N  
HETATM    5  C   UNL     1       3.622  -0.821   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       4.548   0.397   0.000  1.00  0.00           C  
HETATM    7  N   UNL     1       5.943  -0.050   0.000  1.00  0.00           N  
HETATM    8  C   UNL     1       6.941   0.856   0.000  1.00  0.00           C  
HETATM    9  O   UNL     1       6.683   2.042   0.000  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.179  -0.830   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.476   0.535  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.213  -1.768   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.525  -1.347   0.002  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.821   0.016   0.002  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.788   0.954  -0.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.232   0.468   0.003  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.612   1.693   0.003  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.023   2.009   0.002  1.00  0.00           C  
HETATM   19  S   UNL     1      -5.639  -0.602  -0.005  1.00  0.00           S  
HETATM   20  C   UNL     1      -6.879   0.733   0.002  1.00  0.00           C  
HETATM   21  H   UNL     1       8.408  -0.693  -0.001  1.00  0.00           H  
HETATM   22  H   UNL     1       8.878   0.776  -0.891  1.00  0.00           H  
HETATM   23  H   UNL     1       8.879   0.775   0.889  1.00  0.00           H  
HETATM   24  H   UNL     1       2.021   0.573   0.001  1.00  0.00           H  
HETATM   25  H   UNL     1       3.812  -1.422   0.890  1.00  0.00           H  
HETATM   26  H   UNL     1       3.811  -1.421  -0.890  1.00  0.00           H  
HETATM   27  H   UNL     1       4.358   0.997  -0.889  1.00  0.00           H  
HETATM   28  H   UNL     1       4.359   0.997   0.891  1.00  0.00           H  
HETATM   29  H   UNL     1       6.149  -0.998  -0.001  1.00  0.00           H  
HETATM   30  H   UNL     1       0.323   1.261  -0.008  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.984  -2.824   0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.325  -2.073   0.002  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.018   2.009  -0.007  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.258   2.596   0.890  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.498   0.679   0.897  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.258   2.595  -0.886  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.496   0.689  -0.896  1.00  0.00           H  
CONECT    1    8   21   22   23                                       
CONECT    2    3    3                                                 
CONECT    3    2    2   10    4                                       
CONECT    4    5    3   24                                            
CONECT    5    6    4   25   26                                       
CONECT    6    7    5   27   28                                       
CONECT    7    8    6   29                                            
CONECT    8    9    9    1    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    3   12   12                                       
CONECT   11   15   15   10   30                                       
CONECT   12   10   10   13   31                                       
CONECT   13   14   14   12   32                                       
CONECT   14   15   16   13   13                                       
CONECT   15   11   11   14   33                                       
CONECT   16   19   14   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   20   17   34   36                                       
CONECT   19   20   16                                                 
CONECT   20   19   18   35   37                                       
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
