COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.797  -2.216   1.271  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.706  -3.586   1.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.594  -4.132  -0.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.571  -3.313  -1.267  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.660  -1.942  -1.121  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.308   0.621  -0.358  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.106   0.459  -1.726  1.00  0.00           C  
HETATM    8  C   UNL     1       1.146   0.270  -2.222  1.00  0.00           C  
HETATM    9  C   UNL     1       0.765   0.591   0.509  1.00  0.00           C  
HETATM   10  C   UNL     1       2.059   0.398   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       2.263   0.235  -1.357  1.00  0.00           C  
HETATM   12  C   UNL     1       3.666   0.048  -1.679  1.00  0.00           C  
HETATM   13  C   UNL     1       4.484   0.064  -0.628  1.00  0.00           C  
HETATM   14  C   UNL     1       6.565  -0.301  -1.949  1.00  0.00           C  
HETATM   15  C   UNL     1       7.935  -0.461  -2.027  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.629   0.840  -0.829  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.937   1.063  -0.116  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.879   0.086   0.315  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.856   0.748   0.883  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.652   1.940   0.862  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.487   2.237   0.269  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.775  -1.385   0.152  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.904   3.612   0.068  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.865   4.455  -0.773  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.695   4.281   1.428  1.00  0.00           C  
HETATM   26 CL   UNL     1      -4.630  -0.915  -2.521  1.00  0.00          Cl  
HETATM   27 CL   UNL     1      -4.945  -1.533   2.860  1.00  0.00          Cl  
HETATM   28  O   UNL     1      -1.565   0.814   0.124  1.00  0.00           O  
HETATM   29  S   UNL     1       3.599   0.315   0.864  1.00  0.00           S  
HETATM   30  C   UNL     1       5.951  -0.106  -0.710  1.00  0.00           C  
HETATM   31  C   UNL     1       8.705  -0.434  -0.883  1.00  0.00           C  
HETATM   32  C   UNL     1       8.104  -0.245   0.364  1.00  0.00           C  
HETATM   33  C   UNL     1       6.723  -0.073   0.449  1.00  0.00           C  
HETATM   34  C   UNL     1       8.930  -0.218   1.589  1.00  0.00           C  
HETATM   35  O   UNL     1      10.265  -0.376   1.504  1.00  0.00           O  
HETATM   36  O   UNL     1       8.406  -0.053   2.672  1.00  0.00           O  
HETATM   37  H   UNL     1      -4.723  -4.231   1.979  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.523  -5.204  -0.272  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.482  -3.746  -2.252  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.951   0.483  -2.399  1.00  0.00           H  
HETATM   41  H   UNL     1       1.289   0.146  -3.285  1.00  0.00           H  
HETATM   42  H   UNL     1       0.605   0.717   1.569  1.00  0.00           H  
HETATM   43  H   UNL     1       4.018  -0.095  -2.690  1.00  0.00           H  
HETATM   44  H   UNL     1       5.968  -0.323  -2.849  1.00  0.00           H  
HETATM   45  H   UNL     1       8.405  -0.607  -2.989  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.662  -0.111  -1.362  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.460   1.649  -1.540  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.947   3.529  -0.447  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.822   4.538  -0.258  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.444   5.450  -0.919  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.014   3.978  -1.742  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.273   5.276   1.282  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.652   4.364   1.943  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.010   3.681   2.027  1.00  0.00           H  
HETATM   55  H   UNL     1       9.776  -0.560  -0.951  1.00  0.00           H  
HETATM   56  H   UNL     1       6.254   0.077   1.410  1.00  0.00           H  
HETATM   57  H   UNL     1      10.764  -0.351   2.332  1.00  0.00           H  
CONECT    1    2    2   22   27                                       
CONECT    2    1    1    3   37                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4   22   22   26                                       
CONECT    6   28    7    7    9                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7   11   11   41                                       
CONECT    9    6   10   10   42                                       
CONECT   10    9    9   11   29                                       
CONECT   11    8    8   10   12                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12   29   30                                       
CONECT   14   30   30   15   44                                       
CONECT   15   14   31   31   45                                       
CONECT   16   17   28   46   47                                       
CONECT   17   16   18   21   21                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21                                                 
CONECT   21   17   17   20   23                                       
CONECT   22    1    5    5   18                                       
CONECT   23   21   25   24   48                                       
CONECT   24   23   49   50   51                                       
CONECT   25   23   52   53   54                                       
CONECT   26    5                                                      
CONECT   27    1                                                      
CONECT   28    6   16                                                 
CONECT   29   10   13                                                 
CONECT   30   13   14   14   33                                       
CONECT   31   15   15   32   55                                       
CONECT   32   31   33   33   34                                       
CONECT   33   30   32   32   56                                       
CONECT   34   32   36   36   35                                       
CONECT   35   34   57                                                 
CONECT   36   34   34                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
