COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      22.484   3.070  16.579  1.00  0.00           O  
HETATM    2  N   UNL     1      22.280   4.067  15.923  1.00  0.00           N  
HETATM    3  O   UNL     1      21.937   5.071  16.517  1.00  0.00           O  
HETATM    4  C   UNL     1      22.451   4.096  14.536  1.00  0.00           C  
HETATM    5  C   UNL     1      22.628   5.326  13.922  1.00  0.00           C  
HETATM    6  C   UNL     1      22.457   2.929  13.775  1.00  0.00           C  
HETATM    7  O   UNL     1      22.264   1.726  14.354  1.00  0.00           O  
HETATM    8  C   UNL     1      22.645   3.004  12.414  1.00  0.00           C  
HETATM    9  C   UNL     1      22.845   4.241  11.808  1.00  0.00           C  
HETATM   10  C   UNL     1      22.813   5.421  12.543  1.00  0.00           C  
HETATM   11  C   UNL     1      23.010   6.668  11.771  1.00  0.00           C  
HETATM   12  C   UNL     1      22.800   8.073  12.219  1.00  0.00           C  
HETATM   13  S   UNL     1      22.714   8.552  13.832  1.00  0.00           S  
HETATM   14  C   UNL     1      22.851   9.130  11.167  1.00  0.00           C  
HETATM   15  O   UNL     1      22.775   8.802   9.963  1.00  0.00           O  
HETATM   16  N   UNL     1      22.547  10.399  11.428  1.00  0.00           N  
HETATM   17  C   UNL     1      22.766  10.990  12.608  1.00  0.00           C  
HETATM   18  C   UNL     1      22.584  12.385  12.590  1.00  0.00           C  
HETATM   19  C   UNL     1      22.685  10.273  13.812  1.00  0.00           C  
HETATM   20  C   UNL     1      22.419  10.983  14.978  1.00  0.00           C  
HETATM   21  C   UNL     1      22.226  12.375  14.951  1.00  0.00           C  
HETATM   22  C   UNL     1      22.300  13.103  13.752  1.00  0.00           C  
HETATM   23  S   UNL     1      22.075  14.721  13.733  1.00  0.00           S  
HETATM   24  O   UNL     1      22.022  15.227  12.385  1.00  0.00           O  
HETATM   25  O   UNL     1      23.202  15.294  14.412  1.00  0.00           O  
HETATM   26  C   UNL     1      20.661  15.077  14.536  1.00  0.00           C  
HETATM   27  C   UNL     1      20.806  15.596  15.757  1.00  0.00           C  
HETATM   28  C   UNL     1      21.673  16.721  16.294  1.00  0.00           C  
HETATM   29 CL   UNL     1      22.755  17.681  15.218  1.00  0.00          Cl  
HETATM   30  C   UNL     1      21.661  17.007  17.657  1.00  0.00           C  
HETATM   31  C   UNL     1      20.846  16.285  18.531  1.00  0.00           C  
HETATM   32  C   UNL     1      20.039  15.270  18.037  1.00  0.00           C  
HETATM   33  C   UNL     1      20.065  14.871  16.670  1.00  0.00           C  
HETATM   34 CL   UNL     1      19.014  13.538  16.075  1.00  0.00          Cl  
HETATM   35  H   UNL     1      22.623   6.225  14.521  1.00  0.00           H  
HETATM   36  H   UNL     1      22.151   1.839  15.290  1.00  0.00           H  
HETATM   37  H   UNL     1      22.637   2.104  11.817  1.00  0.00           H  
HETATM   38  H   UNL     1      23.029   4.285  10.745  1.00  0.00           H  
HETATM   39  H   UNL     1      23.349   6.544  10.753  1.00  0.00           H  
HETATM   40  H   UNL     1      22.130  10.943  10.699  1.00  0.00           H  
HETATM   41  H   UNL     1      22.666  12.914  11.652  1.00  0.00           H  
HETATM   42  H   UNL     1      22.360  10.456  15.919  1.00  0.00           H  
HETATM   43  H   UNL     1      22.016  12.897  15.873  1.00  0.00           H  
HETATM   44  H   UNL     1      20.098  15.799  13.926  1.00  0.00           H  
HETATM   45  H   UNL     1      20.082  14.147  14.630  1.00  0.00           H  
HETATM   46  H   UNL     1      22.289  17.796  18.042  1.00  0.00           H  
HETATM   47  H   UNL     1      20.844  16.515  19.586  1.00  0.00           H  
HETATM   48  H   UNL     1      19.367  14.764  18.714  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    6    6    5    2                                       
CONECT    5   10   10    4   35                                       
CONECT    6    8    7    4    4                                       
CONECT    7    6   36                                                 
CONECT    8    9    9    6   37                                       
CONECT    9    8    8   10   38                                       
CONECT   10   11    9    5    5                                       
CONECT   11   12   12   10   39                                       
CONECT   12   14   11   11   13                                       
CONECT   13   12   19                                                 
CONECT   14   15   15   16   12                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   40                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   22   22   41                                       
CONECT   19   17   17   13   20                                       
CONECT   20   19   21   21   42                                       
CONECT   21   22   20   20   43                                       
CONECT   22   18   18   23   21                                       
CONECT   23   24   24   22   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27   44   45                                       
CONECT   27   26   28   28   33                                       
CONECT   28   29   27   27   30                                       
CONECT   29   28                                                      
CONECT   30   28   31   31   46                                       
CONECT   31   30   30   32   47                                       
CONECT   32   33   33   31   48                                       
CONECT   33   27   34   32   32                                       
CONECT   34   33                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
CONECT   48   32                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
