COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -8.436  -0.591  -3.081  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -7.134  -1.581  -2.570  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.115  -2.100  -3.339  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.207  -2.882  -2.567  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.566  -2.929  -1.238  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.894  -3.611  -0.191  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.850  -3.258   1.140  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.078  -4.174   1.911  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.566  -5.184   1.138  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.554  -6.586   1.505  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.365  -6.637   2.942  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.130  -7.718   0.805  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.084  -6.159   0.759  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.371  -4.939   1.176  1.00  0.00           C  
HETATM   15  C   UNL     1       1.069  -5.245   1.572  1.00  0.00           C  
HETATM   16  C   UNL     1       1.845  -5.145   0.270  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.238  -4.071  -0.051  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.146  -3.420  -0.547  1.00  0.00           O  
HETATM   19  N   UNL     1       1.071  -4.207  -0.510  1.00  0.00           N  
HETATM   20  C   UNL     1       1.596  -3.622  -1.725  1.00  0.00           C  
HETATM   21  C   UNL     1       0.796  -4.016  -2.944  1.00  0.00           C  
HETATM   22  C   UNL     1       1.514  -2.135  -1.491  1.00  0.00           C  
HETATM   23  O   UNL     1       0.993  -1.712  -0.456  1.00  0.00           O  
HETATM   24  N   UNL     1       2.052  -1.319  -2.484  1.00  0.00           N  
HETATM   25  C   UNL     1       2.678  -1.789  -3.724  1.00  0.00           C  
HETATM   26  C   UNL     1       3.963  -1.016  -3.991  1.00  0.00           C  
HETATM   27  O   UNL     1       3.708   0.392  -3.990  1.00  0.00           O  
HETATM   28  C   UNL     1       3.219   0.824  -2.718  1.00  0.00           C  
HETATM   29  C   UNL     1       1.900   0.133  -2.400  1.00  0.00           C  
HETATM   30  S   UNL     1      -4.006  -5.041  -0.507  1.00  0.00           S  
HETATM   31  S   UNL     1      -6.993  -2.035  -0.925  1.00  0.00           S  
HETATM   32  H   UNL     1      -6.021  -1.932  -4.404  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.337  -3.380  -2.976  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.345  -2.387   1.550  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.911  -4.090   2.977  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.901  -6.480  -0.198  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   31                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    8   34                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   36                                            
CONECT   14   13   15   17   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   19   40   41                                       
CONECT   17   14   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   16   17   20                                            
CONECT   20   19   21   22   42                                       
CONECT   21   20   43   44   45                                       
CONECT   22   20   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   29                                            
CONECT   25   24   26   46   47                                       
CONECT   26   25   27   50   51                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   52   53                                       
CONECT   29   24   28   48   49                                       
CONECT   30    6    9                                                 
CONECT   31    2    5                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
