COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.636  -0.705  -0.020  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.220  -1.824   0.217  1.00  0.00           O  
HETATM    3  N   UNL     1       0.226   0.280  -0.340  1.00  0.00           N  
HETATM    4  C   UNL     1       1.604   0.044  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1       2.102  -1.212  -0.668  1.00  0.00           C  
HETATM    6  C   UNL     1       3.436  -1.469  -0.639  1.00  0.00           C  
HETATM    7  C   UNL     1       4.335  -0.466  -0.237  1.00  0.00           C  
HETATM    8  C   UNL     1       3.839   0.809   0.136  1.00  0.00           C  
HETATM    9  C   UNL     1       2.457   1.051   0.093  1.00  0.00           C  
HETATM   10  C   UNL     1       4.742   1.809   0.538  1.00  0.00           C  
HETATM   11  C   UNL     1       6.076   1.541   0.563  1.00  0.00           C  
HETATM   12  C   UNL     1       6.563   0.288   0.196  1.00  0.00           C  
HETATM   13  C   UNL     1       5.719  -0.704  -0.198  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.074  -0.431   0.036  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.849   1.119  -0.283  1.00  0.00           S  
HETATM   16  C   UNL     1      -4.382   0.427   0.023  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.259  -0.827   0.325  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.048  -1.326   0.338  1.00  0.00           C  
HETATM   19 CL   UNL     1      -5.890   1.283  -0.060  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -2.760  -2.767   0.671  1.00  0.00           C  
HETATM   21  H   UNL     1      -0.109   1.153  -0.598  1.00  0.00           H  
HETATM   22  H   UNL     1       1.417  -1.987  -0.978  1.00  0.00           H  
HETATM   23  H   UNL     1       3.805  -2.444  -0.925  1.00  0.00           H  
HETATM   24  H   UNL     1       2.065   2.019   0.370  1.00  0.00           H  
HETATM   25  H   UNL     1       4.378   2.784   0.824  1.00  0.00           H  
HETATM   26  H   UNL     1       6.767   2.311   0.873  1.00  0.00           H  
HETATM   27  H   UNL     1       7.627   0.102   0.225  1.00  0.00           H  
HETATM   28  H   UNL     1       6.112  -1.670  -0.479  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.782  -3.362  -0.242  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.775  -2.844   1.131  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.515  -3.138   1.364  1.00  0.00           H  
CONECT    1    2    2   14    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   21                                            
CONECT    4    5    3    9    9                                       
CONECT    5    6    6    4   22                                       
CONECT    6    5    5    7   23                                       
CONECT    7    6   13   13    8                                       
CONECT    8    7    9   10   10                                       
CONECT    9    4    4    8   24                                       
CONECT   10    8    8   11   25                                       
CONECT   11   12   12   10   26                                       
CONECT   12   13   11   11   27                                       
CONECT   13    7    7   12   28                                       
CONECT   14   18   18    1   15                                       
CONECT   15   14   16                                                 
CONECT   16   17   17   15   19                                       
CONECT   17   18   16   16                                            
CONECT   18   20   17   14   14                                       
CONECT   19   16                                                      
CONECT   20   18   29   30   31                                       
CONECT   21    3                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   12                                                      
CONECT   28   13                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   20                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
