COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.892  -2.345   0.209  1.00  0.00           O  
HETATM    2  C   UNL     1       3.890  -1.808  -0.210  1.00  0.00           C  
HETATM    3  O   UNL     1       4.918  -2.550  -0.652  1.00  0.00           O  
HETATM    4  C   UNL     1       3.978  -0.303  -0.243  1.00  0.00           C  
HETATM    5  C   UNL     1       2.681   0.296   0.305  1.00  0.00           C  
HETATM    6  C   UNL     1       2.816   1.794   0.387  1.00  0.00           C  
HETATM    7  O   UNL     1       3.320   2.363   1.493  1.00  0.00           O  
HETATM    8  O   UNL     1       2.469   2.484  -0.543  1.00  0.00           O  
HETATM    9  N   UNL     1       1.570  -0.047  -0.586  1.00  0.00           N  
HETATM   10  S   UNL     1       0.235  -0.822   0.015  1.00  0.00           S  
HETATM   11  O   UNL     1      -0.390  -1.460  -1.090  1.00  0.00           O  
HETATM   12  O   UNL     1       0.665  -1.521   1.175  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.816   0.347   0.536  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.763   0.952  -0.404  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.625   2.452  -0.359  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.310   3.000   0.671  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.851   3.181  -1.464  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.189   0.559  -0.015  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.365  -0.951  -0.181  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.771  -1.338   0.201  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.551  -0.493   0.569  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.155  -2.623   0.134  1.00  0.00           O  
HETATM   23  H   UNL     1       4.813  -3.510  -0.614  1.00  0.00           H  
HETATM   24  H   UNL     1       4.818   0.025   0.370  1.00  0.00           H  
HETATM   25  H   UNL     1       4.126   0.029  -1.271  1.00  0.00           H  
HETATM   26  H   UNL     1       2.487  -0.107   1.299  1.00  0.00           H  
HETATM   27  H   UNL     1       3.387   3.328   1.499  1.00  0.00           H  
HETATM   28  H   UNL     1       1.616   0.179  -1.528  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.805   0.630   1.464  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.550   0.598  -1.413  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.750   4.139  -1.386  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.372   0.835   1.023  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.898   1.081  -0.660  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.182  -1.227  -1.220  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.657  -1.472   0.463  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.066  -2.822   0.390  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   23                                                 
CONECT    4    5    2   24   25                                       
CONECT    5    9    4    6   26                                       
CONECT    6    5    8    8    7                                       
CONECT    7    6   27                                                 
CONECT    8    6    6                                                 
CONECT    9   10    5   28                                            
CONECT   10   11   11   13   12                                       
CONECT   10   12    9                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   14   10   29                                            
CONECT   14   15   18   13   30                                       
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   15   31                                                 
CONECT   18   19   14   32   33                                       
CONECT   19   20   18   34   35                                       
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   20   36                                                 
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   17                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
