COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.020   1.272  -0.747  1.00  0.00           N  
HETATM    2  C   UNL     1       1.576  -1.110  -1.247  1.00  0.00           C  
HETATM    3  C   UNL     1       1.747   0.036  -0.283  1.00  0.00           C  
HETATM    4  C   UNL     1       2.059   2.355   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       1.486   2.269   1.385  1.00  0.00           C  
HETATM    6  C   UNL     1       2.080   4.436   1.948  1.00  0.00           C  
HETATM    7  C   UNL     1       3.315   5.842   0.358  1.00  0.00           C  
HETATM    8  C   UNL     1       3.302   3.736  -1.484  1.00  0.00           C  
HETATM    9  C   UNL     1       2.086  -2.375  -0.608  1.00  0.00           C  
HETATM   10  C   UNL     1       3.993  -3.721  -0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       1.253  -3.310  -0.034  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.247  -3.158  -0.026  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.850  -1.172  -0.346  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.782   1.133   0.695  1.00  0.00           O  
HETATM   15  S   UNL     1      -6.191   0.621  -0.492  1.00  0.00           S  
HETATM   16  O   UNL     1      -6.704   0.948  -1.776  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.366   0.762  -0.443  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.479  -0.658   0.191  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.491  -0.572   1.718  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.337  -1.558  -0.284  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.763  -0.928   0.361  1.00  0.00           S  
HETATM   22  O   UNL     1      -1.551   0.412  -0.064  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.597  -1.300   1.722  1.00  0.00           O  
HETATM   24  N   UNL     1      -0.608  -1.799  -0.445  1.00  0.00           N  
HETATM   25  C   UNL     1       1.792  -4.448   0.551  1.00  0.00           C  
HETATM   26  C   UNL     1       3.156  -4.655   0.555  1.00  0.00           C  
HETATM   27 CL   UNL     1       5.710  -3.975  -0.034  1.00  0.00          Cl  
HETATM   28  C   UNL     1       3.458  -2.587  -0.607  1.00  0.00           C  
HETATM   29  C   UNL     1       0.098  -1.242  -1.611  1.00  0.00           C  
HETATM   30  O   UNL     1       1.641  -0.154   0.910  1.00  0.00           O  
HETATM   31  C   UNL     1       2.690   3.563  -0.235  1.00  0.00           C  
HETATM   32  C   UNL     1       3.896   4.925  -1.781  1.00  0.00           C  
HETATM   33  C   UNL     1       3.900   5.975  -0.865  1.00  0.00           C  
HETATM   34  C   UNL     1       2.698   4.629   0.702  1.00  0.00           C  
HETATM   35  N   UNL     1       1.513   3.287   2.233  1.00  0.00           N  
HETATM   36  H   UNL     1       2.192   1.408  -1.692  1.00  0.00           H  
HETATM   37  H   UNL     1       2.151  -0.907  -2.151  1.00  0.00           H  
HETATM   38  H   UNL     1       1.003   1.349   1.681  1.00  0.00           H  
HETATM   39  H   UNL     1       2.071   5.235   2.674  1.00  0.00           H  
HETATM   40  H   UNL     1       3.327   6.664   1.058  1.00  0.00           H  
HETATM   41  H   UNL     1       3.302   2.931  -2.205  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.688  -3.879  -0.715  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.624  -3.339   0.980  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.459  -1.687   0.396  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.791  -1.697  -1.299  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.890   0.781  -1.423  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.992   1.529   0.235  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.684  -1.561   2.136  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.525  -0.212   2.070  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.274   0.116   2.037  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.499  -2.573   0.080  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.307  -1.563  -1.374  1.00  0.00           H  
HETATM   53  H   UNL     1       1.138  -5.176   1.008  1.00  0.00           H  
HETATM   54  H   UNL     1       3.568  -5.543   1.012  1.00  0.00           H  
HETATM   55  H   UNL     1       4.113  -1.858  -1.061  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.311  -0.261  -1.855  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.014  -1.911  -2.464  1.00  0.00           H  
HETATM   58  H   UNL     1       4.368   5.058  -2.744  1.00  0.00           H  
HETATM   59  H   UNL     1       4.374   6.909  -1.128  1.00  0.00           H  
CONECT    1    4    3   36                                            
CONECT    2    3   29    9   37                                       
CONECT    3    1    2   30   30                                       
CONECT    4   31   31    5    1                                       
CONECT    5   35   35    4   38                                       
CONECT    6   34   34   35   39                                       
CONECT    7   33   33   34   40                                       
CONECT    8   32   32   31   41                                       
CONECT    9    2   28   28   11                                       
CONECT   10   28   27   26   26                                       
CONECT   11    9   12   25   25                                       
CONECT   12   24   11   42   43                                       
CONECT   13   18   15   44   45                                       
CONECT   14   15   15                                                 
CONECT   15   13   14   14   17                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   18   15   46   47                                       
CONECT   18   19   20   13   17                                       
CONECT   19   18   48   49   50                                       
CONECT   20   21   18   51   52                                       
CONECT   21   23   23   20   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   29   21   12                                            
CONECT   25   11   11   26   53                                       
CONECT   26   10   10   25   54                                       
CONECT   27   10                                                      
CONECT   28    9    9   10   55                                       
CONECT   29    2   24   56   57                                       
CONECT   30    3    3                                                 
CONECT   31   34    8    4    4                                       
CONECT   32   33    8    8   58                                       
CONECT   33    7    7   32   59                                       
CONECT   34    7    6    6   31                                       
CONECT   35    6    5    5                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
