COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.298   0.024  -0.805  1.00  0.00           C  
HETATM    2  C   UNL     1       4.665   0.221  -0.732  1.00  0.00           C  
HETATM    3 CL   UNL     1       5.415   1.467  -1.680  1.00  0.00          Cl  
HETATM    4  C   UNL     1       5.435  -0.576   0.096  1.00  0.00           C  
HETATM    5  C   UNL     1       4.838  -1.568   0.851  1.00  0.00           C  
HETATM    6  C   UNL     1       3.471  -1.764   0.778  1.00  0.00           C  
HETATM    7  C   UNL     1       2.702  -0.968  -0.050  1.00  0.00           C  
HETATM    8  C   UNL     1       1.211  -1.178  -0.124  1.00  0.00           C  
HETATM    9  O   UNL     1       0.915  -2.572   0.020  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.461  -2.879  -0.223  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.742  -4.323   0.197  1.00  0.00           C  
HETATM   12  C   UNL     1       0.038  -5.264  -0.684  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.054  -6.590  -0.497  1.00  0.00           O  
HETATM   14  O   UNL     1       0.747  -4.824  -1.559  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.337  -1.948   0.568  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.506  -2.234   0.721  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.873  -0.815   1.110  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.807   0.055   1.830  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.051   0.830   2.911  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.415  -0.156   3.895  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.446   1.040   0.849  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.493   0.133  -0.323  1.00  0.00           S  
HETATM   23  O   UNL     1      -2.670  -0.746  -1.078  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.609  -0.394   0.381  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.072   1.462  -1.413  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.871   2.136  -2.078  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.989   0.876  -2.489  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.846   2.495  -0.591  1.00  0.00           C  
HETATM   29  C   UNL     1       0.527  -0.413   1.011  1.00  0.00           C  
HETATM   30  C   UNL     1       0.605   1.067   0.734  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.029   1.596  -0.374  1.00  0.00           C  
HETATM   32  C   UNL     1       0.042   2.953  -0.628  1.00  0.00           C  
HETATM   33  C   UNL     1       0.748   3.781   0.227  1.00  0.00           C  
HETATM   34 CL   UNL     1       0.837   5.485  -0.092  1.00  0.00          Cl  
HETATM   35  C   UNL     1       1.382   3.250   1.336  1.00  0.00           C  
HETATM   36  C   UNL     1       1.306   1.894   1.592  1.00  0.00           C  
HETATM   37  H   UNL     1       2.696   0.649  -1.448  1.00  0.00           H  
HETATM   38  H   UNL     1       6.503  -0.424   0.153  1.00  0.00           H  
HETATM   39  H   UNL     1       5.439  -2.190   1.498  1.00  0.00           H  
HETATM   40  H   UNL     1       3.005  -2.539   1.368  1.00  0.00           H  
HETATM   41  H   UNL     1       0.839  -0.820  -1.083  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.675  -2.763  -1.286  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.442  -4.464   1.235  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.808  -4.529   0.096  1.00  0.00           H  
HETATM   45  H   UNL     1       0.465  -7.153  -1.087  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.584  -0.552   2.294  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.271   1.434   2.447  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.745   1.479   3.445  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.199  -0.681   4.440  1.00  0.00           H  
HETATM   50  H   UNL     1       0.191  -0.877   3.346  1.00  0.00           H  
HETATM   51  H   UNL     1       0.215   0.389   4.598  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.054   1.758   1.400  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.664   1.569   0.304  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.319   1.401  -2.664  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.219   2.935  -2.734  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.218   2.554  -1.312  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.845   0.396  -2.015  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.337   1.674  -3.144  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.437   0.140  -3.074  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.193   2.913   0.175  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.195   3.293  -1.246  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.702   2.014  -0.117  1.00  0.00           H  
HETATM   63  H   UNL     1       1.034  -0.631   1.951  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.580   0.950  -1.041  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.453   3.367  -1.494  1.00  0.00           H  
HETATM   66  H   UNL     1       1.933   3.896   2.003  1.00  0.00           H  
HETATM   67  H   UNL     1       1.797   1.480   2.460  1.00  0.00           H  
CONECT    1    2    2    7   37                                       
CONECT    2    3    1    1    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    7    7    5   40                                       
CONECT    7    1    8    6    6                                       
CONECT    8    9    7   29   41                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   15   42                                       
CONECT   11   12   10   43   44                                       
CONECT   12   14   14   13   11                                       
CONECT   13   12   45                                                 
CONECT   14   12   12                                                 
CONECT   15   10   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   29   18                                            
CONECT   18   17   19   21   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21   18   22   52   53                                       
CONECT   22   23   23   21   25                                       
CONECT   22   24   24                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   27   22   26   28                                       
CONECT   26   25   54   55   56                                       
CONECT   27   25   57   58   59                                       
CONECT   28   25   60   61   62                                       
CONECT   29    8   17   30   63                                       
CONECT   30   31   29   36   36                                       
CONECT   31   32   32   30   64                                       
CONECT   32   31   31   33   65                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   36   66                                       
CONECT   36   30   30   35   67                                       
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
