COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.742   1.367   0.056  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.085   1.235  -0.250  1.00  0.00           C  
HETATM    3 CL   UNL     1      -6.289   1.649   0.930  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -5.468   0.775  -1.497  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.508   0.446  -2.437  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.167   0.577  -2.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.784   1.043  -0.886  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.321   1.186  -0.553  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.011   2.649  -0.215  1.00  0.00           C  
HETATM   10  C   UNL     1       0.505   2.799  -0.061  1.00  0.00           C  
HETATM   11  C   UNL     1       1.169   2.682  -1.434  1.00  0.00           C  
HETATM   12  C   UNL     1       2.638   2.995  -1.309  1.00  0.00           C  
HETATM   13  O   UNL     1       3.411   3.036  -2.406  1.00  0.00           O  
HETATM   14  O   UNL     1       3.120   3.208  -0.222  1.00  0.00           O  
HETATM   15  C   UNL     1       0.821   4.169   0.542  1.00  0.00           C  
HETATM   16  C   UNL     1       1.035   1.724   0.844  1.00  0.00           C  
HETATM   17  O   UNL     1       2.135   1.876   1.332  1.00  0.00           O  
HETATM   18  N   UNL     1       0.362   0.612   1.139  1.00  0.00           N  
HETATM   19  C   UNL     1       1.016  -0.380   1.996  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.045  -1.260   2.659  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.928  -0.400   3.565  1.00  0.00           C  
HETATM   22  C   UNL     1       1.946  -1.252   1.150  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.985   0.320   0.663  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.074  -1.134   0.279  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.090  -1.922   0.786  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.172  -3.256   0.435  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.237  -3.803  -0.426  1.00  0.00           C  
HETATM   28 CL   UNL     1      -1.339  -5.478  -0.868  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -0.220  -3.014  -0.933  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.142  -1.679  -0.585  1.00  0.00           C  
HETATM   31  S   UNL     1       3.348  -0.257   0.572  1.00  0.00           S  
HETATM   32  O   UNL     1       2.843   0.886  -0.105  1.00  0.00           O  
HETATM   33  O   UNL     1       4.253  -0.080   1.652  1.00  0.00           O  
HETATM   34  C   UNL     1       4.112  -1.360  -0.649  1.00  0.00           C  
HETATM   35  C   UNL     1       3.103  -1.675  -1.755  1.00  0.00           C  
HETATM   36  C   UNL     1       5.339  -0.676  -1.257  1.00  0.00           C  
HETATM   37  C   UNL     1       4.540  -2.660   0.036  1.00  0.00           C  
HETATM   38  H   UNL     1      -3.442   1.726   1.029  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.516   0.672  -1.736  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.807   0.086  -3.410  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.418   0.319  -2.864  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.719   0.872  -1.406  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.363   3.294  -1.020  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.504   2.922   0.718  1.00  0.00           H  
HETATM   45  H   UNL     1       1.045   1.667  -1.812  1.00  0.00           H  
HETATM   46  H   UNL     1       0.705   3.386  -2.124  1.00  0.00           H  
HETATM   47  H   UNL     1       4.347   3.241  -2.276  1.00  0.00           H  
HETATM   48  H   UNL     1       0.345   4.255   1.519  1.00  0.00           H  
HETATM   49  H   UNL     1       1.900   4.278   0.652  1.00  0.00           H  
HETATM   50  H   UNL     1       0.443   4.952  -0.117  1.00  0.00           H  
HETATM   51  H   UNL     1       1.597   0.130   2.765  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.660  -1.729   1.891  1.00  0.00           H  
HETATM   53  H   UNL     1       0.443  -2.032   3.255  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.303   0.137   4.279  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.483   0.316   2.958  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.628  -1.039   4.104  1.00  0.00           H  
HETATM   57  H   UNL     1       2.313  -2.083   1.752  1.00  0.00           H  
HETATM   58  H   UNL     1       1.397  -1.640   0.291  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.701   0.524   1.459  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.820  -1.495   1.458  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.966  -3.871   0.831  1.00  0.00           H  
HETATM   62  H   UNL     1       0.508  -3.440  -1.608  1.00  0.00           H  
HETATM   63  H   UNL     1       0.652  -1.063  -0.982  1.00  0.00           H  
HETATM   64  H   UNL     1       2.798  -0.749  -2.243  1.00  0.00           H  
HETATM   65  H   UNL     1       3.563  -2.338  -2.488  1.00  0.00           H  
HETATM   66  H   UNL     1       2.230  -2.162  -1.322  1.00  0.00           H  
HETATM   67  H   UNL     1       6.057  -0.452  -0.469  1.00  0.00           H  
HETATM   68  H   UNL     1       5.798  -1.339  -1.990  1.00  0.00           H  
HETATM   69  H   UNL     1       5.034   0.250  -1.745  1.00  0.00           H  
HETATM   70  H   UNL     1       3.667  -3.147   0.469  1.00  0.00           H  
HETATM   71  H   UNL     1       5.000  -3.322  -0.697  1.00  0.00           H  
HETATM   72  H   UNL     1       5.259  -2.435   0.824  1.00  0.00           H  
CONECT    1    7    7    2   38                                       
CONECT    2    4    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    5    2    2   39                                       
CONECT    5    6    6    4   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6    8    1    1                                       
CONECT    8   23    9    7   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10   16   15    9   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   47                                                 
CONECT   14   12   12                                                 
CONECT   15   10   48   49   50                                       
CONECT   16   18   17   17   10                                       
CONECT   17   16   16                                                 
CONECT   18   19   23   16                                            
CONECT   19   22   20   18   51                                       
CONECT   20   21   19   52   53                                       
CONECT   21   20   54   55   56                                       
CONECT   22   31   19   57   58                                       
CONECT   23   18   24    8   59                                       
CONECT   24   30   23   25   25                                       
CONECT   25   24   24   26   60                                       
CONECT   26   27   27   25   61                                       
CONECT   27   29   28   26   26                                       
CONECT   28   27                                                      
CONECT   29   30   30   27   62                                       
CONECT   30   29   29   24   63                                       
CONECT   31   34   32   32   22                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   37   35   36   31                                       
CONECT   35   34   64   65   66                                       
CONECT   36   34   67   68   69                                       
CONECT   37   34   70   71   72                                       
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
