COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.061   1.337  -0.578  1.00  0.00           C  
HETATM    2  C   UNL     1       5.592  -1.458  -0.767  1.00  0.00           C  
HETATM    3  C   UNL     1       2.291   0.939   0.499  1.00  0.00           C  
HETATM    4  C   UNL     1       1.126   1.785   0.945  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.426  -1.995  -0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.138   1.342   0.206  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.355   0.550  -0.150  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.009  -0.399  -1.094  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.544  -1.671  -1.022  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.772  -1.044   0.938  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.236   0.228   0.865  1.00  0.00           C  
HETATM   12  C   UNL     1       4.130   0.561  -0.987  1.00  0.00           C  
HETATM   13  O   UNL     1       8.006  -1.640  -0.279  1.00  0.00           O  
HETATM   14  C   UNL     1       6.838  -1.023  -0.039  1.00  0.00           C  
HETATM   15  O   UNL     1       6.786  -0.119   0.760  1.00  0.00           O  
HETATM   16  C   UNL     1       4.428  -0.612  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1       3.658  -1.009   0.758  1.00  0.00           C  
HETATM   18  C   UNL     1       2.590  -0.234   1.167  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.270   2.164   0.639  1.00  0.00           N  
HETATM   20  S   UNL     1      -2.673   2.172  -0.241  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.295   2.373  -1.596  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.575   3.027   0.449  1.00  0.00           O  
HETATM   23 CL   UNL     1      -5.103  -3.591   0.080  1.00  0.00          Cl  
HETATM   24  H   UNL     1       2.825   2.251  -1.102  1.00  0.00           H  
HETATM   25  H   UNL     1       5.738  -1.338  -1.840  1.00  0.00           H  
HETATM   26  H   UNL     1       5.388  -2.505  -0.543  1.00  0.00           H  
HETATM   27  H   UNL     1       0.980   1.665   2.019  1.00  0.00           H  
HETATM   28  H   UNL     1       1.331   2.832   0.721  1.00  0.00           H  
HETATM   29  H   UNL     1       0.008   1.462  -0.868  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.342   0.295   0.430  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.321  -0.146  -1.887  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.273  -2.413  -1.759  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.460  -1.296   1.731  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.506   0.970   1.602  1.00  0.00           H  
HETATM   35  H   UNL     1       4.731   0.871  -1.829  1.00  0.00           H  
HETATM   36  H   UNL     1       8.777  -1.326   0.212  1.00  0.00           H  
HETATM   37  H   UNL     1       3.892  -1.926   1.279  1.00  0.00           H  
HETATM   38  H   UNL     1       1.988  -0.544   2.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.199   2.704   1.442  1.00  0.00           H  
CONECT    1    3    3   12   24                                       
CONECT    2   16   14   25   26                                       
CONECT    3    4    1    1   18                                       
CONECT    4    6    3   27   28                                       
CONECT    5    9   23   10   10                                       
CONECT    6   19    4   29   30                                       
CONECT    7    8   20   11   11                                       
CONECT    8    9    9    7   31                                       
CONECT    9    8    8    5   32                                       
CONECT   10    5    5   11   33                                       
CONECT   11    7    7   10   34                                       
CONECT   12    1   16   16   35                                       
CONECT   13   14   36                                                 
CONECT   14    2   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   12   12   17    2                                       
CONECT   17   18   18   16   37                                       
CONECT   18    3   17   17   38                                       
CONECT   19   20    6   39                                            
CONECT   20   21   21    7   19                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    5                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
