COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.217   3.157   2.080  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.183   2.159   1.744  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.802   1.206   0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.524   1.228   0.316  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.692   0.204   0.479  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.945   0.175   1.006  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.805  -0.883   0.578  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.299  -0.765  -0.431  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.024  -0.734  -0.966  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.138   0.259  -0.591  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.748   0.285  -1.174  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.808  -0.534  -0.287  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.398  -0.508  -0.878  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.499  -1.413  -0.074  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.202  -2.680  -0.538  1.00  0.00           C  
HETATM   16  C   UNL     1       0.031  -0.973   1.124  1.00  0.00           C  
HETATM   17  C   UNL     1       0.857  -1.800   1.863  1.00  0.00           C  
HETATM   18  C   UNL     1       1.153  -3.069   1.406  1.00  0.00           C  
HETATM   19  C   UNL     1       0.625  -3.512   0.201  1.00  0.00           C  
HETATM   20  O   UNL     1       0.918  -4.759  -0.253  1.00  0.00           O  
HETATM   21  C   UNL     1       1.776  -5.561   0.561  1.00  0.00           C  
HETATM   22  C   UNL     1       1.987  -6.900  -0.098  1.00  0.00           C  
HETATM   23  O   UNL     1       2.764  -7.823   0.490  1.00  0.00           O  
HETATM   24  O   UNL     1       1.457  -7.142  -1.156  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.880   0.848  -0.836  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.010   1.198  -1.796  1.00  0.00           C  
HETATM   27  O   UNL     1       0.310   0.398  -2.643  1.00  0.00           O  
HETATM   28  C   UNL     1       0.569   2.589  -1.817  1.00  0.00           C  
HETATM   29  C   UNL     1       0.354   3.214  -3.199  1.00  0.00           C  
HETATM   30  C   UNL     1       1.064   4.568  -3.259  1.00  0.00           C  
HETATM   31  C   UNL     1       2.567   4.368  -3.047  1.00  0.00           C  
HETATM   32  C   UNL     1       2.807   3.757  -1.664  1.00  0.00           C  
HETATM   33  N   UNL     1       2.012   2.527  -1.546  1.00  0.00           N  
HETATM   34  C   UNL     1       2.595   1.363  -1.196  1.00  0.00           C  
HETATM   35  O   UNL     1       1.942   0.341  -1.173  1.00  0.00           O  
HETATM   36  C   UNL     1       4.057   1.332  -0.833  1.00  0.00           C  
HETATM   37  C   UNL     1       4.595  -0.090  -1.006  1.00  0.00           C  
HETATM   38  C   UNL     1       4.558  -0.467  -2.464  1.00  0.00           C  
HETATM   39  C   UNL     1       5.645  -0.892  -3.059  1.00  0.00           C  
HETATM   40  C   UNL     1       4.228   1.763   0.601  1.00  0.00           C  
HETATM   41  S   UNL     1       3.516   0.958   1.993  1.00  0.00           S  
HETATM   42  C   UNL     1       4.250   2.128   3.083  1.00  0.00           C  
HETATM   43 CL   UNL     1       4.078   2.131   4.810  1.00  0.00          Cl  
HETATM   44  C   UNL     1       4.955   3.015   2.378  1.00  0.00           C  
HETATM   45  C   UNL     1       4.947   2.810   1.008  1.00  0.00           C  
HETATM   46  H   UNL     1      -6.648   3.853   2.799  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.339   2.680   2.517  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.926   3.698   1.180  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.830   2.003   0.606  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.943  -0.825  -0.502  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.356  -1.843   0.836  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.771  -0.789   1.073  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.988  -1.544  -0.721  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.719  -1.490  -1.675  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.766  -0.143  -2.176  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.395   1.314  -1.224  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.790  -0.107   0.716  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.162  -1.564  -0.236  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.430  -0.853  -1.911  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.614  -3.022  -1.476  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.199   0.020   1.483  1.00  0.00           H  
HETATM   62  H   UNL     1       1.270  -1.454   2.799  1.00  0.00           H  
HETATM   63  H   UNL     1       1.798  -3.715   1.983  1.00  0.00           H  
HETATM   64  H   UNL     1       2.736  -5.059   0.680  1.00  0.00           H  
HETATM   65  H   UNL     1       1.318  -5.706   1.539  1.00  0.00           H  
HETATM   66  H   UNL     1       2.869  -8.666   0.030  1.00  0.00           H  
HETATM   67  H   UNL     1       0.081   3.200  -1.058  1.00  0.00           H  
HETATM   68  H   UNL     1       0.764   2.555  -3.964  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.713   3.355  -3.373  1.00  0.00           H  
HETATM   70  H   UNL     1       0.892   5.026  -4.233  1.00  0.00           H  
HETATM   71  H   UNL     1       0.671   5.219  -2.477  1.00  0.00           H  
HETATM   72  H   UNL     1       2.956   3.698  -3.814  1.00  0.00           H  
HETATM   73  H   UNL     1       3.075   5.330  -3.113  1.00  0.00           H  
HETATM   74  H   UNL     1       3.865   3.520  -1.547  1.00  0.00           H  
HETATM   75  H   UNL     1       2.503   4.466  -0.893  1.00  0.00           H  
HETATM   76  H   UNL     1       4.607   2.011  -1.484  1.00  0.00           H  
HETATM   77  H   UNL     1       5.623  -0.135  -0.645  1.00  0.00           H  
HETATM   78  H   UNL     1       3.978  -0.784  -0.435  1.00  0.00           H  
HETATM   79  H   UNL     1       3.635  -0.387  -3.019  1.00  0.00           H  
HETATM   80  H   UNL     1       6.568  -0.972  -2.504  1.00  0.00           H  
HETATM   81  H   UNL     1       5.619  -1.162  -4.104  1.00  0.00           H  
HETATM   82  H   UNL     1       5.494   3.829   2.840  1.00  0.00           H  
HETATM   83  H   UNL     1       5.477   3.453   0.321  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   10   10   49                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   50   51   52                                       
CONECT    8    5    9    9   53                                       
CONECT    9    8    8   10   54                                       
CONECT   10    4    4    9   11                                       
CONECT   11   12   10   55   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13   25   12   14   59                                       
CONECT   14   13   16   16   15                                       
CONECT   15   14   19   19   60                                       
CONECT   16   14   14   17   61                                       
CONECT   17   16   18   18   62                                       
CONECT   18   17   17   19   63                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   64   65                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   66                                                 
CONECT   24   22   22                                                 
CONECT   25   26   13                                                 
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   33   26   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   29   31   70   71                                       
CONECT   31   30   32   72   73                                       
CONECT   32   33   31   74   75                                       
CONECT   33   34   28   32                                            
CONECT   34   35   35   36   33                                       
CONECT   35   34   34                                                 
CONECT   36   40   34   37   76                                       
CONECT   37   36   38   77   78                                       
CONECT   38   37   39   39   79                                       
CONECT   39   38   38   80   81                                       
CONECT   40   41   45   45   36                                       
CONECT   41   42   40                                                 
CONECT   42   43   44   44   41                                       
CONECT   43   42                                                      
CONECT   44   42   42   45   82                                       
CONECT   45   44   40   40   83                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
