COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.451   2.176  -0.013  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.593   1.077  -0.013  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.198   1.332   0.011  1.00  0.00           C  
HETATM    4  N   UNL     1       0.225   2.588   0.032  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.928   3.410   0.008  1.00  0.00           N  
HETATM    6  O   UNL     1       4.961   1.933   0.095  1.00  0.00           O  
HETATM    7  C   UNL     1       4.979   0.725   0.082  1.00  0.00           C  
HETATM    8  O   UNL     1       6.152   0.072   0.092  1.00  0.00           O  
HETATM    9  C   UNL     1       3.686  -0.048   0.054  1.00  0.00           C  
HETATM   10  C   UNL     1       2.508   0.928   0.047  1.00  0.00           C  
HETATM   11  S   UNL     1       0.955  -0.001   0.013  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.629   3.595   0.030  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.121   1.630  -0.036  1.00  0.00           S  
HETATM   14  C   UNL     1      -3.646  -0.057  -0.045  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.320  -0.186  -0.038  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.642  -1.504  -0.043  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.024  -2.491   0.865  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.388  -3.716   0.856  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.374  -3.965  -0.052  1.00  0.00           C  
HETATM   20  C   UNL     1       0.316  -5.305  -0.056  1.00  0.00           C  
HETATM   21  C   UNL     1       0.009  -2.990  -0.955  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.623  -1.763  -0.958  1.00  0.00           C  
HETATM   23  H   UNL     1       6.955   0.611   0.110  1.00  0.00           H  
HETATM   24  H   UNL     1       3.652  -0.666  -0.844  1.00  0.00           H  
HETATM   25  H   UNL     1       3.625  -0.686   0.936  1.00  0.00           H  
HETATM   26  H   UNL     1       2.543   1.546   0.944  1.00  0.00           H  
HETATM   27  H   UNL     1       2.570   1.565  -0.835  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.246   4.605   0.048  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.339  -0.885  -0.060  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.815  -2.297   1.574  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.683  -4.481   1.558  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.208  -5.981  -0.732  1.00  0.00           H  
HETATM   33  H   UNL     1       1.346  -5.182  -0.392  1.00  0.00           H  
HETATM   34  H   UNL     1       0.309  -5.721   0.951  1.00  0.00           H  
HETATM   35  H   UNL     1       0.801  -3.190  -1.661  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.326  -1.003  -1.666  1.00  0.00           H  
CONECT    1    2    2    5   13                                       
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3   12                                            
CONECT    5    1   12   12                                            
CONECT    6    7    7                                                 
CONECT    7    6    6    8    9                                       
CONECT    8    7   23                                                 
CONECT    9    7   10   24   25                                       
CONECT   10    9   11   26   27                                       
CONECT   11    3   10                                                 
CONECT   12    4    5    5   28                                       
CONECT   13    1   14                                                 
CONECT   14   13   15   15   29                                       
CONECT   15    2   14   14   16                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   30                                       
CONECT   18   17   19   19   31                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19   32   33   34                                       
CONECT   21   19   22   22   35                                       
CONECT   22   16   21   21   36                                       
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   14                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
