COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.830   1.031  -1.210  1.00  0.00           O  
HETATM    2  O   UNL     1       4.687  -1.435  -1.067  1.00  0.00           O  
HETATM    3  C   UNL     1       1.864  -1.122   0.856  1.00  0.00           C  
HETATM    4  C   UNL     1       0.502  -1.062   0.644  1.00  0.00           C  
HETATM    5  C   UNL     1       2.003   1.270   0.718  1.00  0.00           C  
HETATM    6  C   UNL     1       0.642   1.344   0.505  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.120   0.175   0.467  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.579   0.246   0.238  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.592  -0.880  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.317  -2.075  -0.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.667  -2.044  -0.247  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.335  -0.840  -0.424  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.648   0.354  -0.394  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.271   0.346  -0.182  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.484   1.588  -0.142  1.00  0.00           C  
HETATM   16  N   UNL     1       6.561  -0.245  -0.071  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.152   1.477   0.069  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.012   2.675  -0.292  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.260  -0.870   0.203  1.00  0.00           N  
HETATM   20  C   UNL     1       4.100  -0.033   1.125  1.00  0.00           C  
HETATM   21  S   UNL     1       4.955  -0.175  -0.468  1.00  0.00           S  
HETATM   22  C   UNL     1       2.613   0.040   0.893  1.00  0.00           C  
HETATM   23  H   UNL     1       2.345  -2.078   0.998  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.082  -1.971   0.615  1.00  0.00           H  
HETATM   25  H   UNL     1       2.593   2.174   0.747  1.00  0.00           H  
HETATM   26  H   UNL     1       0.167   2.304   0.369  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.601   2.274   0.101  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.811  -3.020   0.098  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.222  -2.970  -0.275  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.403  -0.839  -0.588  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.173   1.288  -0.533  1.00  0.00           H  
HETATM   32  H   UNL     1       7.173   0.430  -0.403  1.00  0.00           H  
HETATM   33  H   UNL     1       6.890  -0.961   0.495  1.00  0.00           H  
HETATM   34  H   UNL     1       4.330  -0.903   1.740  1.00  0.00           H  
HETATM   35  H   UNL     1       4.433   0.871   1.637  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2   21   21                                                 
CONECT    3    4   22   22   23                                       
CONECT    4    3    7    7   24                                       
CONECT    5    6    6   22   25                                       
CONECT    6    5    5    7   26                                       
CONECT    7    4    4    6    8                                       
CONECT    8    7   17   19   19                                       
CONECT    9   10   14   14   19                                       
CONECT   10    9   11   11   28                                       
CONECT   11   10   10   12   29                                       
CONECT   12   11   13   13   30                                       
CONECT   13   12   12   14   31                                       
CONECT   14    9    9   13   15                                       
CONECT   15   14   17   18   18                                       
CONECT   16   21   32   33                                            
CONECT   17    8   15   27                                            
CONECT   18   15   15                                                 
CONECT   19    8    8    9                                            
CONECT   20   21   22   34   35                                       
CONECT   21    2    2    1    1                                       
CONECT   21   16   20                                                 
CONECT   22    3    3    5   20                                       
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27   17                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
