COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.238  -1.207   0.892  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.507  -1.751   0.860  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.562  -1.020   0.345  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.351   0.259  -0.140  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.082   0.809  -0.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.021   0.076   0.407  1.00  0.00           C  
HETATM    7  C   UNL     1       1.918  -2.276   0.013  1.00  0.00           C  
HETATM    8  C   UNL     1       0.612  -1.831   0.081  1.00  0.00           C  
HETATM    9  C   UNL     1       0.635  -0.443   0.271  1.00  0.00           C  
HETATM   10  N   UNL     1       1.954  -0.047   0.318  1.00  0.00           N  
HETATM   11  N   UNL     1       2.751  -1.188   0.157  1.00  0.00           N  
HETATM   12  C   UNL     1       2.414   1.261   0.494  1.00  0.00           C  
HETATM   13  C   UNL     1       3.778   1.521   0.522  1.00  0.00           C  
HETATM   14  C   UNL     1       4.230   2.815   0.697  1.00  0.00           C  
HETATM   15  C   UNL     1       3.325   3.850   0.843  1.00  0.00           C  
HETATM   16  C   UNL     1       1.966   3.595   0.816  1.00  0.00           C  
HETATM   17  C   UNL     1       1.508   2.305   0.636  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.429   0.352   0.386  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.655  -0.176   0.435  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.797  -1.386   0.477  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.736   0.630   0.438  1.00  0.00           N  
HETATM   22  C   UNL     1       3.513  -5.836  -0.470  1.00  0.00           C  
HETATM   23  S   UNL     1       4.011  -4.218  -0.259  1.00  0.00           S  
HETATM   24  C   UNL     1       2.344  -3.664  -0.175  1.00  0.00           C  
HETATM   25  C   UNL     1       1.509  -4.739  -0.312  1.00  0.00           C  
HETATM   26  C   UNL     1       2.178  -5.930  -0.474  1.00  0.00           C  
HETATM   27  C   UNL     1       5.710   3.098   0.728  1.00  0.00           C  
HETATM   28  C   UNL     1       6.196   3.384  -0.670  1.00  0.00           C  
HETATM   29  O   UNL     1       5.417   3.360  -1.599  1.00  0.00           O  
HETATM   30  N   UNL     1       7.496   3.666  -0.886  1.00  0.00           N  
HETATM   31 CL   UNL     1      -4.815   2.413  -0.720  1.00  0.00          Cl  
HETATM   32 CL   UNL     1      -7.678   1.173  -0.786  1.00  0.00          Cl  
HETATM   33  H   UNL     1      -3.416  -1.777   1.298  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.676  -2.748   1.237  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.553  -1.448   0.321  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.273  -2.446   0.001  1.00  0.00           H  
HETATM   37  H   UNL     1       3.721  -1.208   0.149  1.00  0.00           H  
HETATM   38  H   UNL     1       4.485   0.712   0.409  1.00  0.00           H  
HETATM   39  H   UNL     1       3.681   4.861   0.979  1.00  0.00           H  
HETATM   40  H   UNL     1       1.263   4.406   0.930  1.00  0.00           H  
HETATM   41  H   UNL     1       0.447   2.107   0.610  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.623   1.593   0.463  1.00  0.00           H  
HETATM   43  H   UNL     1       4.185  -6.673  -0.589  1.00  0.00           H  
HETATM   44  H   UNL     1       0.432  -4.660  -0.294  1.00  0.00           H  
HETATM   45  H   UNL     1       1.664  -6.871  -0.595  1.00  0.00           H  
HETATM   46  H   UNL     1       5.901   3.962   1.363  1.00  0.00           H  
HETATM   47  H   UNL     1       6.237   2.230   1.125  1.00  0.00           H  
HETATM   48  H   UNL     1       8.118   3.684  -0.143  1.00  0.00           H  
HETATM   49  H   UNL     1       7.809   3.850  -1.786  1.00  0.00           H  
CONECT    1    2    2    6   33                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   31                                       
CONECT    6    1    5    5   21                                       
CONECT    7    8    8   11   24                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   18   18                                       
CONECT   10    9   11   12                                            
CONECT   11    7   10   37                                            
CONECT   12   10   13   13   17                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   15   27                                       
CONECT   15   14   14   16   39                                       
CONECT   16   15   17   17   40                                       
CONECT   17   12   16   16   41                                       
CONECT   18    9    9   19                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21    6   19   42                                            
CONECT   22   23   26   26   43                                       
CONECT   23   22   24                                                 
CONECT   24    7   23   25   25                                       
CONECT   25   24   24   26   44                                       
CONECT   26   22   22   25   45                                       
CONECT   27   14   28   46   47                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   48   49                                            
CONECT   31    5                                                      
CONECT   32    4                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
