COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.033   4.294   0.410  1.00  0.00           C  
HETATM    2  C   UNL     1       0.193   1.934  -4.174  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.448   0.378  -2.232  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.261  -4.558  -0.584  1.00  0.00           C  
HETATM    5  C   UNL     1       1.756  -5.375   0.645  1.00  0.00           C  
HETATM    6  C   UNL     1       1.697  -5.454  -1.852  1.00  0.00           C  
HETATM    7  O   UNL     1       0.850  -2.875   1.252  1.00  0.00           O  
HETATM    8 CL   UNL     1      -6.388   0.490   0.591  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -3.947   1.612   0.260  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.977  -0.695   0.925  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.568   1.599   0.259  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.598  -0.719   0.927  1.00  0.00           C  
HETATM   13  C   UNL     1       2.115  -1.100   0.355  1.00  0.00           C  
HETATM   14  N   UNL     1       0.190  -0.207   1.567  1.00  0.00           N  
HETATM   15  N   UNL     1       3.463   2.740   2.326  1.00  0.00           N  
HETATM   16  N   UNL     1       3.086   1.434   2.679  1.00  0.00           N  
HETATM   17  O   UNL     1       1.839  -3.328  -0.672  1.00  0.00           O  
HETATM   18  S   UNL     1       1.925   2.509  -1.929  1.00  0.00           S  
HETATM   19  C   UNL     1       1.555  -2.500   0.345  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.402   0.412   0.594  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.652   0.467   0.592  1.00  0.00           C  
HETATM   22  C   UNL     1       2.904   3.001   1.174  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.883   0.431   0.594  1.00  0.00           C  
HETATM   24  C   UNL     1       0.528   1.791  -2.712  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.190   1.107  -1.837  1.00  0.00           C  
HETATM   26  C   UNL     1       2.300   0.982   1.689  1.00  0.00           C  
HETATM   27  C   UNL     1       0.292   1.100  -0.515  1.00  0.00           C  
HETATM   28  C   UNL     1       1.470   1.811  -0.381  1.00  0.00           C  
HETATM   29  C   UNL     1       1.643  -0.372   1.615  1.00  0.00           C  
HETATM   30  N   UNL     1       2.198   1.932   0.784  1.00  0.00           N1+
HETATM   31  C   UNL     1       1.265  -4.661  -0.616  1.00  0.00           C  
HETATM   32  H   UNL     1       3.891   4.236  -0.260  1.00  0.00           H  
HETATM   33  H   UNL     1       2.127   4.463  -0.174  1.00  0.00           H  
HETATM   34  H   UNL     1       3.172   5.117   1.110  1.00  0.00           H  
HETATM   35  H   UNL     1       0.950   2.548  -4.662  1.00  0.00           H  
HETATM   36  H   UNL     1       0.169   0.948  -4.639  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.783   2.408  -4.279  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.215  -0.668  -2.431  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.174   0.440  -1.421  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.866   0.834  -3.129  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.568  -3.993   0.296  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.610  -4.050  -1.482  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.692  -5.559  -0.542  1.00  0.00           H  
HETATM   44  H   UNL     1       1.325  -6.375   0.687  1.00  0.00           H  
HETATM   45  H   UNL     1       2.843  -5.448   0.622  1.00  0.00           H  
HETATM   46  H   UNL     1       1.448  -4.810   1.525  1.00  0.00           H  
HETATM   47  H   UNL     1       1.347  -4.946  -2.750  1.00  0.00           H  
HETATM   48  H   UNL     1       2.784  -5.527  -1.875  1.00  0.00           H  
HETATM   49  H   UNL     1       1.266  -6.455  -1.810  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.478   2.517   0.006  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.532  -1.586   1.182  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.019   2.493   0.000  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.073  -1.626   1.187  1.00  0.00           H  
HETATM   54  H   UNL     1       3.204  -1.145   0.348  1.00  0.00           H  
HETATM   55  H   UNL     1       1.767  -0.563  -0.527  1.00  0.00           H  
HETATM   56  H   UNL     1       3.342   0.953   3.482  1.00  0.00           H  
HETATM   57  H   UNL     1       1.913  -0.955   2.495  1.00  0.00           H  
CONECT    1   22   32   33   34                                       
CONECT    2   24   35   36   37                                       
CONECT    3   25   38   39   40                                       
CONECT    4   31   41   42   43                                       
CONECT    5   31   44   45   46                                       
CONECT    6   31   47   48   49                                       
CONECT    7   19   19                                                 
CONECT    8   21                                                      
CONECT    9   11   11   21   50                                       
CONECT   10   12   21   21   51                                       
CONECT   11    9    9   23   52                                       
CONECT   12   10   23   23   53                                       
CONECT   13   19   29   54   55                                       
CONECT   14   20   20   29                                            
CONECT   15   16   22   22                                            
CONECT   16   15   26   56                                            
CONECT   17   19   31                                                 
CONECT   18   24   28                                                 
CONECT   19    7    7   13   17                                       
CONECT   20   14   14   23   27                                       
CONECT   21    8    9   10   10                                       
CONECT   22    1   15   15   30                                       
CONECT   23   11   12   12   20                                       
CONECT   24    2   18   25   25                                       
CONECT   25    3   24   24   27                                       
CONECT   26   16   29   30   30                                       
CONECT   27   20   25   28   28                                       
CONECT   28   18   27   27   30                                       
CONECT   29   13   14   26   57                                       
CONECT   30   22   26   26   28                                       
CONECT   31    4    5    6   17                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
