COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.533   0.542  -1.948  1.00  0.00           C  
HETATM    2  C   UNL     1       9.262   0.805  -0.616  1.00  0.00           C  
HETATM    3  C   UNL     1       8.226   0.150   0.022  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.647   0.010   0.657  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.877  -3.589  -1.379  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.758   0.494  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.557  -1.844  -0.536  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.673  -2.834  -0.286  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.949  -0.456  -0.027  1.00  0.00           C  
HETATM   10  S   UNL     1      -6.419   2.563  -0.829  1.00  0.00           S  
HETATM   11  C   UNL     1      -5.948  -3.226  -2.457  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.392  -1.838  -2.072  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.164   1.894   0.296  1.00  0.00           C  
HETATM   14  C   UNL     1       4.695  -0.586  -0.265  1.00  0.00           C  
HETATM   15  C   UNL     1       3.469  -1.115   0.481  1.00  0.00           C  
HETATM   16  C   UNL     1       7.457  -0.774  -0.676  1.00  0.00           C  
HETATM   17  C   UNL     1       7.733  -1.036  -2.012  1.00  0.00           C  
HETATM   18  C   UNL     1       8.767  -0.373  -2.645  1.00  0.00           C  
HETATM   19  C   UNL     1       4.435  -0.634  -1.772  1.00  0.00           C  
HETATM   20  C   UNL     1       4.966   0.859   0.159  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.295  -2.933   0.751  1.00  0.00           O  
HETATM   22  C   UNL     1       1.147  -0.626   0.742  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.233  -0.268   1.119  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.314   0.369   2.508  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.230  -0.230   3.407  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.229   0.493   4.755  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.514  -1.717   3.626  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.375   0.231   0.271  1.00  0.00           C  
HETATM   29  N   UNL     1       0.038   0.096   0.488  1.00  0.00           N  
HETATM   30  O   UNL     1       1.093  -1.579   1.494  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.018   2.748   0.294  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.149   0.830  -0.759  1.00  0.00           O  
HETATM   33  O   UNL     1       2.316  -0.292   0.162  1.00  0.00           O  
HETATM   34  S   UNL     1       6.136  -1.613   0.133  1.00  0.00           S  
HETATM   35 CL   UNL     1      10.223   1.960   0.253  1.00  0.00          Cl  
HETATM   36  H   UNL     1      10.344   1.055  -2.444  1.00  0.00           H  
HETATM   37  H   UNL     1       8.014   0.355   1.061  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.828  -0.470   1.480  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.548  -4.286  -1.447  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.445   0.533  -1.211  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.636  -2.179  -0.059  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.239  -0.522   1.022  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.787  -0.076  -0.612  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.138  -3.954  -2.517  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.477  -3.170  -3.408  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.985  -1.041  -2.521  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.343  -1.746  -2.353  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.573   1.839   1.305  1.00  0.00           H  
HETATM   49  H   UNL     1       3.276  -2.144   0.179  1.00  0.00           H  
HETATM   50  H   UNL     1       3.654  -1.080   1.555  1.00  0.00           H  
HETATM   51  H   UNL     1       7.138  -1.754  -2.557  1.00  0.00           H  
HETATM   52  H   UNL     1       8.981  -0.576  -3.684  1.00  0.00           H  
HETATM   53  H   UNL     1       3.618   0.043  -2.022  1.00  0.00           H  
HETATM   54  H   UNL     1       5.335  -0.330  -2.306  1.00  0.00           H  
HETATM   55  H   UNL     1       4.167  -1.650  -2.062  1.00  0.00           H  
HETATM   56  H   UNL     1       5.241   0.882   1.214  1.00  0.00           H  
HETATM   57  H   UNL     1       5.782   1.266  -0.438  1.00  0.00           H  
HETATM   58  H   UNL     1       4.068   1.458   0.004  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.296  -1.352   1.212  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.163   1.445   2.424  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.295   0.173   2.941  1.00  0.00           H  
HETATM   62  H   UNL     1       0.743  -0.112   2.931  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.202   0.375   5.231  1.00  0.00           H  
HETATM   64  H   UNL     1       0.543   0.067   5.396  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.027   1.553   4.599  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.487  -1.835   4.102  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.514  -2.232   2.665  1.00  0.00           H  
HETATM   68  H   UNL     1       0.258  -2.144   4.266  1.00  0.00           H  
HETATM   69  H   UNL     1       0.082   0.857  -0.112  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.305   2.451   0.875  1.00  0.00           H  
HETATM   71  O   UNL     1      -6.058   2.317  -2.182  1.00  0.00           O  
HETATM   72  O   UNL     1      -7.641   1.685  -0.601  1.00  0.00           O  
HETATM   73  O   UNL     1      -6.832   3.855  -0.405  1.00  0.00           O  
HETATM   74  H   UNL     1      -8.405   1.926  -1.142  1.00  0.00           H  
CONECT    1   18   18    2   36                                       
CONECT    2    1   35    3    3                                       
CONECT    3    2    2   16   37                                       
CONECT    4   28    6   38                                            
CONECT    5   11    8   39                                            
CONECT    6    4    9   13   40                                       
CONECT    7   12    8    9   41                                       
CONECT    8    5    7   21   21                                       
CONECT    9    7    6   42   43                                       
CONECT   10   13   71   71   72                                       
CONECT   10   73   73                                                 
CONECT   11    5   12   44   45                                       
CONECT   12   11    7   46   47                                       
CONECT   13    6   31   10   48                                       
CONECT   14   20   34   15   19                                       
CONECT   15   14   33   49   50                                       
CONECT   16   17   17    3   34                                       
CONECT   17   18   16   16   51                                       
CONECT   18    1    1   17   52                                       
CONECT   19   14   53   54   55                                       
CONECT   20   14   56   57   58                                       
CONECT   21    8    8                                                 
CONECT   22   33   29   30   30                                       
CONECT   23   29   28   24   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   27   26   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   25   66   67   68                                       
CONECT   28   32   32   23    4                                       
CONECT   29   22   23   69                                            
CONECT   30   22   22                                                 
CONECT   31   13   70                                                 
CONECT   32   28   28                                                 
CONECT   33   15   22                                                 
CONECT   34   16   14                                                 
CONECT   35    2                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   10   10                                                 
CONECT   72   10   74                                                 
CONECT   73   10   10                                                 
CONECT   74   72                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
