COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.751   0.415  -0.445  1.00  0.00           N  
HETATM    2  C   UNL     1       4.543  -0.862  -1.435  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.693  -3.003  -0.962  1.00  0.00           O  
HETATM    4  C   UNL     1       2.085   1.950  -0.228  1.00  0.00           C  
HETATM    5  C   UNL     1       1.556   1.707  -1.493  1.00  0.00           C  
HETATM    6  C   UNL     1       0.290   1.198  -1.633  1.00  0.00           C  
HETATM    7 CL   UNL     1       5.436   1.065   1.947  1.00  0.00          Cl  
HETATM    8  C   UNL     1       5.139  -0.190   0.785  1.00  0.00           C  
HETATM    9  C   UNL     1       5.263  -1.518   1.154  1.00  0.00           C  
HETATM   10  C   UNL     1       5.031  -2.517   0.227  1.00  0.00           C  
HETATM   11 CL   UNL     1       5.186  -4.183   0.689  1.00  0.00          Cl  
HETATM   12  C   UNL     1       4.779   0.137  -0.510  1.00  0.00           C  
HETATM   13  C   UNL     1       4.666  -2.189  -1.067  1.00  0.00           C  
HETATM   14  S   UNL     1       4.622   1.828  -0.980  1.00  0.00           S  
HETATM   15  O   UNL     1       5.806   2.479  -0.538  1.00  0.00           O  
HETATM   16  O   UNL     1       4.194   1.830  -2.335  1.00  0.00           O  
HETATM   17  N   UNL     1       3.378   2.469  -0.096  1.00  0.00           N  
HETATM   18  C   UNL     1       1.329   1.676   0.898  1.00  0.00           C  
HETATM   19  C   UNL     1       0.042   1.160   0.768  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.498   0.913  -0.498  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.155   0.713   1.981  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.278   0.234   0.717  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.897  -0.404   0.999  1.00  0.00           S  
HETATM   24  C   UNL     1      -4.435  -0.662  -0.710  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.579  -1.724  -1.351  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.790  -1.423  -2.216  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.898  -1.110  -0.722  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.781   0.019  -0.186  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.244  -0.429  -0.198  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.127   0.699   0.339  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.590   0.252   0.327  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.473   1.380   0.863  1.00  0.00           C  
HETATM   33  H   UNL     1       4.257  -0.607  -2.445  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.124  -3.649  -1.403  1.00  0.00           H  
HETATM   35  H   UNL     1       2.148   1.921  -2.371  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.108   1.015  -2.620  1.00  0.00           H  
HETATM   37  H   UNL     1       5.544  -1.773   2.165  1.00  0.00           H  
HETATM   38  H   UNL     1       4.477  -2.969  -1.789  1.00  0.00           H  
HETATM   39  H   UNL     1       3.545   3.205   0.514  1.00  0.00           H  
HETATM   40  H   UNL     1       1.737   1.864   1.880  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.335   0.270  -1.267  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.196  -1.350  -1.743  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.013  -1.992  -0.093  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.483   0.259   0.835  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.666   0.901  -0.816  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.542  -0.670  -1.218  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.359  -1.311   0.432  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.829   0.940   1.359  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.012   1.582  -0.291  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.888   0.011  -0.694  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.705  -0.631   0.956  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.175   1.621   1.884  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.358   2.262   0.234  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.515   1.061   0.855  1.00  0.00           H  
CONECT    1   20   22   22                                            
CONECT    2   12   13   13   33                                       
CONECT    3   25   34                                                 
CONECT    4   17    5    5   18                                       
CONECT    5    4    4    6   35                                       
CONECT    6    5   20   20   36                                       
CONECT    7    8                                                      
CONECT    8    7   12   12    9                                       
CONECT    9    8   10   10   37                                       
CONECT   10    9    9   13   11                                       
CONECT   11   10                                                      
CONECT   12   14    8    8    2                                       
CONECT   13    2    2   10   38                                       
CONECT   14   15   15   17   16                                       
CONECT   14   16   12                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14    4   39                                            
CONECT   18    4   19   19   40                                       
CONECT   19   18   18   20   21                                       
CONECT   20    6    6   19    1                                       
CONECT   21   19   22                                                 
CONECT   22    1    1   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   27   25   41                                       
CONECT   25   24   26   26    3                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   42   43                                       
CONECT   28   27   29   44   45                                       
CONECT   29   28   30   46   47                                       
CONECT   30   29   31   48   49                                       
CONECT   31   30   32   50   51                                       
CONECT   32   31   52   53   54                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   13                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   24                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
