COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.216  -0.607   1.742  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.374  -1.060   0.405  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.875  -0.934   0.450  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.556  -1.893   0.746  1.00  0.00           O  
HETATM    5  N   UNL     1      -2.461   0.245   0.162  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.856   0.338   0.108  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.490   1.514   0.487  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.867   1.604   0.427  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.614   0.526  -0.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.985  -0.646  -0.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.609  -0.743  -0.332  1.00  0.00           C  
HETATM   12  S   UNL     1      -8.370   0.645  -0.086  1.00  0.00           S  
HETATM   13  O   UNL     1      -8.866  -0.684  -0.017  1.00  0.00           O  
HETATM   14  O   UNL     1      -8.743   1.662   0.834  1.00  0.00           O  
HETATM   15  N   UNL     1      -8.759   1.212  -1.592  1.00  0.00           N  
HETATM   16  S   UNL     1       0.077  -2.786   0.101  1.00  0.00           S  
HETATM   17  C   UNL     1       1.825  -2.623  -0.052  1.00  0.00           C  
HETATM   18  N   UNL     1       2.575  -3.734  -0.294  1.00  0.00           N  
HETATM   19  C   UNL     1       3.916  -3.637  -0.416  1.00  0.00           C  
HETATM   20  O   UNL     1       4.594  -4.627  -0.633  1.00  0.00           O  
HETATM   21  C   UNL     1       4.519  -2.360  -0.285  1.00  0.00           C  
HETATM   22  C   UNL     1       3.689  -1.251  -0.035  1.00  0.00           C  
HETATM   23  N   UNL     1       2.370  -1.428   0.067  1.00  0.00           N  
HETATM   24  C   UNL     1       4.273   0.100   0.108  1.00  0.00           C  
HETATM   25  C   UNL     1       5.381   0.300   0.934  1.00  0.00           C  
HETATM   26  C   UNL     1       5.922   1.562   1.065  1.00  0.00           C  
HETATM   27  C   UNL     1       5.368   2.630   0.379  1.00  0.00           C  
HETATM   28  C   UNL     1       4.268   2.438  -0.442  1.00  0.00           C  
HETATM   29  C   UNL     1       3.722   1.179  -0.585  1.00  0.00           C  
HETATM   30 CL   UNL     1       3.580   3.783  -1.298  1.00  0.00          Cl  
HETATM   31 CL   UNL     1       6.054   4.216   0.550  1.00  0.00          Cl  
HETATM   32  C   UNL     1       5.938  -2.202  -0.405  1.00  0.00           C  
HETATM   33  N   UNL     1       7.063  -2.077  -0.499  1.00  0.00           N  
HETATM   34  H   UNL     1      -0.177  -1.232   2.544  1.00  0.00           H  
HETATM   35  H   UNL     1       1.302  -0.698   1.710  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.056   0.433   1.926  1.00  0.00           H  
HETATM   37  H   UNL     1       0.020  -0.435  -0.396  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.916   1.029  -0.007  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.908   2.356   0.830  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.361   2.518   0.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.571  -1.487  -0.730  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.118  -1.657  -0.632  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.245   2.047  -1.686  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.501   0.710  -2.381  1.00  0.00           H  
HETATM   45  H   UNL     1       2.144  -4.598  -0.380  1.00  0.00           H  
HETATM   46  H   UNL     1       5.814  -0.532   1.470  1.00  0.00           H  
HETATM   47  H   UNL     1       6.779   1.717   1.703  1.00  0.00           H  
HETATM   48  H   UNL     1       2.865   1.029  -1.225  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3   16    1   37                                       
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   38                                            
CONECT    6    7    7   11    5                                       
CONECT    7    8    6    6   39                                       
CONECT    8    9    9    7   40                                       
CONECT    9   12    8    8   10                                       
CONECT   10    9   11   11   41                                       
CONECT   11   10   10    6   42                                       
CONECT   12   13   13   15   14                                       
CONECT   12   14    9                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   43   44                                            
CONECT   16   17    2                                                 
CONECT   17   23   23   18   16                                       
CONECT   18   19   17   45                                            
CONECT   19   21   20   20   18                                       
CONECT   20   19   19                                                 
CONECT   21   32   22   22   19                                       
CONECT   22   24   21   21   23                                       
CONECT   23   22   17   17                                            
CONECT   24   29   29   25   22                                       
CONECT   25   26   26   24   46                                       
CONECT   26   27   25   25   47                                       
CONECT   27   31   28   28   26                                       
CONECT   28   30   27   27   29                                       
CONECT   29   28   24   24   48                                       
CONECT   30   28                                                      
CONECT   31   27                                                      
CONECT   32   33   33   33   21                                       
CONECT   33   32   32   32                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
