COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -8.035  -2.429   4.022  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -7.248  -3.798   3.357  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.702  -4.631   2.358  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.772  -5.669   2.064  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.670  -5.571   2.849  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.511  -6.434   2.848  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.448  -7.651   3.748  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.040  -6.981   1.933  1.00  0.00           S  
HETATM    9  O   UNL     1      -1.367  -6.878   3.216  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.359  -8.291   1.393  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   13  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   14  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   17  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   18  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   19  C   UNL     1       0.796  -4.016  -2.944  1.00  0.00           C  
HETATM   20  C   UNL     1       1.514  -2.135  -1.491  1.00  0.00           C  
HETATM   21  O   UNL     1       0.993  -1.712  -0.456  1.00  0.00           O  
HETATM   22  N   UNL     1       2.052  -1.319  -2.484  1.00  0.00           N  
HETATM   23  C   UNL     1       2.678  -1.789  -3.724  1.00  0.00           C  
HETATM   24  C   UNL     1       3.963  -1.016  -3.991  1.00  0.00           C  
HETATM   25  O   UNL     1       3.708   0.392  -3.990  1.00  0.00           O  
HETATM   26  C   UNL     1       3.219   0.824  -2.718  1.00  0.00           C  
HETATM   27  C   UNL     1       1.900   0.133  -2.400  1.00  0.00           C  
HETATM   28  S   UNL     1      -5.706  -4.269   3.935  1.00  0.00           S  
HETATM   29  C   UNL     1      -3.513  -6.071   2.016  1.00  0.00           C  
HETATM   30  H   UNL     1      -8.654  -4.505   1.857  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.932  -6.432   1.311  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.096  -7.366   4.745  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.446  -8.092   3.853  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.803  -8.443   3.360  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.576  -5.189   1.387  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.492  -6.095  -0.184  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.921  -4.429   1.970  1.00  0.00           H  
HETATM   38  H   UNL     1       1.201  -6.214   2.062  1.00  0.00           H  
HETATM   39  H   UNL     1       1.424  -4.468   2.260  1.00  0.00           H  
HETATM   40  H   UNL     1       2.861  -4.772   0.421  1.00  0.00           H  
HETATM   41  H   UNL     1       1.872  -6.099  -0.265  1.00  0.00           H  
HETATM   42  H   UNL     1       2.644  -3.899  -1.821  1.00  0.00           H  
HETATM   43  H   UNL     1       0.309  -3.152  -3.410  1.00  0.00           H  
HETATM   44  H   UNL     1       1.448  -4.473  -3.696  1.00  0.00           H  
HETATM   45  H   UNL     1       0.012  -4.737  -2.685  1.00  0.00           H  
HETATM   46  H   UNL     1       1.953  -1.606  -4.526  1.00  0.00           H  
HETATM   47  H   UNL     1       2.879  -2.862  -3.686  1.00  0.00           H  
HETATM   48  H   UNL     1       1.538   0.436  -1.413  1.00  0.00           H  
HETATM   49  H   UNL     1       1.141   0.409  -3.141  1.00  0.00           H  
HETATM   50  H   UNL     1       4.730  -1.244  -3.241  1.00  0.00           H  
HETATM   51  H   UNL     1       4.366  -1.284  -4.973  1.00  0.00           H  
HETATM   52  H   UNL     1       3.075   1.908  -2.763  1.00  0.00           H  
HETATM   53  H   UNL     1       3.974   0.616  -1.951  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5    5   31                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7   29   29                                       
CONECT    7    6   32   33   34                                       
CONECT    8    9    9   10   10                                       
CONECT    8   11   29                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   36                                            
CONECT   12   11   13   15   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   13   17   40   41                                       
CONECT   15   12   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   14   15   18                                            
CONECT   18   17   19   20   42                                       
CONECT   19   18   43   44   45                                       
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   27                                            
CONECT   23   22   24   46   47                                       
CONECT   24   23   25   50   51                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   52   53                                       
CONECT   27   22   26   48   49                                       
CONECT   28    2    5                                                 
CONECT   29    6    6    8   35                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   29                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
