COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.614   0.680  -0.135  1.00  0.00           O  
HETATM    2  C   UNL     1       4.359   1.106  -0.349  1.00  0.00           C  
HETATM    3  O   UNL     1       4.162   2.227  -0.754  1.00  0.00           O  
HETATM    4  C   UNL     1       3.195   0.186  -0.083  1.00  0.00           C  
HETATM    5  C   UNL     1       3.319  -1.058  -0.963  1.00  0.00           C  
HETATM    6  C   UNL     1       2.624  -2.264  -0.392  1.00  0.00           C  
HETATM    7  C   UNL     1       1.337  -2.150   0.311  1.00  0.00           C  
HETATM    8  O   UNL     1       1.007  -2.993   1.118  1.00  0.00           O  
HETATM    9  N   UNL     1       0.522  -1.099   0.052  1.00  0.00           N  
HETATM   10  C   UNL     1       0.996  -0.137  -0.870  1.00  0.00           C  
HETATM   11  N   UNL     1       1.901   0.904  -0.402  1.00  0.00           N  
HETATM   12  C   UNL     1       1.531   1.430   0.958  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.234   1.625   1.145  1.00  0.00           S  
HETATM   14  C   UNL     1      -0.752  -0.006   1.740  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.828  -1.013   0.670  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.839  -0.588  -0.363  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.521  -0.518  -1.531  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.099  -0.287   0.011  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.082   0.125  -0.993  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.402   0.403  -0.320  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.457   0.798  -1.049  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.509   0.270   0.876  1.00  0.00           O  
HETATM   23  H   UNL     1       6.327   1.306  -0.319  1.00  0.00           H  
HETATM   24  H   UNL     1       3.198  -0.110   0.966  1.00  0.00           H  
HETATM   25  H   UNL     1       2.890  -0.838  -1.941  1.00  0.00           H  
HETATM   26  H   UNL     1       4.375  -1.292  -1.092  1.00  0.00           H  
HETATM   27  H   UNL     1       2.477  -2.966  -1.213  1.00  0.00           H  
HETATM   28  H   UNL     1       3.323  -2.737   0.297  1.00  0.00           H  
HETATM   29  H   UNL     1       1.501  -0.674  -1.673  1.00  0.00           H  
HETATM   30  H   UNL     1       0.128   0.355  -1.307  1.00  0.00           H  
HETATM   31  H   UNL     1       1.893   0.736   1.717  1.00  0.00           H  
HETATM   32  H   UNL     1       2.011   2.397   1.107  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.040  -0.347   2.492  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.733   0.086   2.205  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.107  -1.979   1.089  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.354  -0.343   0.945  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.733   1.028  -1.494  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.209  -0.671  -1.726  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.282   0.964  -0.573  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   11   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7   27   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   15   10                                            
CONECT   10    9   11   29   30                                       
CONECT   11    4   10   12                                            
CONECT   12   11   13   31   32                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   33   34                                       
CONECT   15    9   14   16   35                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   36                                            
CONECT   19   18   20   37   38                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   39                                                 
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
