COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.295   0.005   0.101  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.306   0.910  -0.238  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.976   0.548  -0.150  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.633  -0.726   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.626  -1.633   0.619  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.955  -1.263   0.535  1.00  0.00           C  
HETATM    7  S   UNL     1      -4.990   0.470  -0.013  1.00  0.00           S  
HETATM    8  O   UNL     1      -5.701  -0.381   0.876  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.024   1.888   0.076  1.00  0.00           O  
HETATM   10  N   UNL     1      -5.503   0.085  -1.539  1.00  0.00           N  
HETATM   11  O   UNL     1       0.675  -1.087   0.361  1.00  0.00           O  
HETATM   12  C   UNL     1       1.644  -0.102  -0.004  1.00  0.00           C  
HETATM   13  C   UNL     1       3.049  -0.687   0.151  1.00  0.00           C  
HETATM   14  C   UNL     1       4.088   0.403  -0.119  1.00  0.00           C  
HETATM   15  N   UNL     1       5.437  -0.159   0.030  1.00  0.00           N  
HETATM   16  O   UNL     1       3.226  -1.755  -0.781  1.00  0.00           O  
HETATM   17  C   UNL     1       6.463   0.862  -0.223  1.00  0.00           C  
HETATM   18  C   UNL     1       6.722   1.653   1.060  1.00  0.00           C  
HETATM   19  C   UNL     1       7.758   0.183  -0.674  1.00  0.00           C  
HETATM   20  H   UNL     1      -2.575   1.901  -0.572  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.205   1.255  -0.415  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.361  -2.625   0.953  1.00  0.00           H  
HETATM   23  H   UNL     1      -3.729  -1.969   0.799  1.00  0.00           H  
HETATM   24  H   UNL     1      -6.430  -0.156  -1.693  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.877   0.100  -2.280  1.00  0.00           H  
HETATM   26  H   UNL     1       1.487   0.195  -1.041  1.00  0.00           H  
HETATM   27  H   UNL     1       1.539   0.768   0.644  1.00  0.00           H  
HETATM   28  H   UNL     1       3.175  -1.066   1.166  1.00  0.00           H  
HETATM   29  H   UNL     1       3.962   0.781  -1.134  1.00  0.00           H  
HETATM   30  H   UNL     1       3.953   1.218   0.592  1.00  0.00           H  
HETATM   31  H   UNL     1       5.557  -0.574   0.941  1.00  0.00           H  
HETATM   32  H   UNL     1       3.128  -1.491  -1.706  1.00  0.00           H  
HETATM   33  H   UNL     1       6.117   1.539  -1.004  1.00  0.00           H  
HETATM   34  H   UNL     1       7.484   2.411   0.872  1.00  0.00           H  
HETATM   35  H   UNL     1       5.800   2.137   1.381  1.00  0.00           H  
HETATM   36  H   UNL     1       7.068   0.976   1.841  1.00  0.00           H  
HETATM   37  H   UNL     1       7.573  -0.381  -1.588  1.00  0.00           H  
HETATM   38  H   UNL     1       8.519   0.940  -0.862  1.00  0.00           H  
HETATM   39  H   UNL     1       8.104  -0.495   0.107  1.00  0.00           H  
CONECT    1    6    6    2    7                                       
CONECT    2    3    3    1   20                                       
CONECT    3    4    2    2   21                                       
CONECT    4   11    5    5    3                                       
CONECT    5    4    4    6   22                                       
CONECT    6    5    1    1   23                                       
CONECT    7    1   10    9    9                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   24   25                                            
CONECT   11   12    4                                                 
CONECT   12   13   11   26   27                                       
CONECT   13   16   12   14   28                                       
CONECT   14   13   15   29   30                                       
CONECT   15   14   17   31                                            
CONECT   16   13   32                                                 
CONECT   17   15   18   19   33                                       
CONECT   18   17   34   35   36                                       
CONECT   19   17   37   38   39                                       
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   12                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
