COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      15.746   0.217  18.123  1.00  0.00           O  
HETATM    2  C   UNL     1      21.010   8.140  12.894  1.00  0.00           C  
HETATM    3  C   UNL     1      21.384   9.313  12.043  1.00  0.00           C  
HETATM    4  C   UNL     1      22.449   9.315  10.944  1.00  0.00           C  
HETATM    5  C   UNL     1      20.536  10.486  12.441  1.00  0.00           C  
HETATM    6  C   UNL     1      20.590  11.896  11.841  1.00  0.00           C  
HETATM    7  C   UNL     1      19.638  10.030  13.564  1.00  0.00           C  
HETATM    8  C   UNL     1      18.640  10.920  14.251  1.00  0.00           C  
HETATM    9  C   UNL     1      21.640   6.759  12.806  1.00  0.00           C  
HETATM   10  C   UNL     1      19.920   8.578  13.846  1.00  0.00           C  
HETATM   11  C   UNL     1      19.277   7.676  14.893  1.00  0.00           C  
HETATM   12 IR   UNL     1      19.315   8.849  11.862  1.00  0.00          Ir  
HETATM   13 CL   UNL     1      20.068   7.719   9.818  1.00  0.00          Cl  
HETATM   14  N   UNL     1      17.711   9.441  10.894  1.00  0.00           N  
HETATM   15  C   UNL     1      17.414  10.659  10.621  1.00  0.00           C  
HETATM   16  C   UNL     1      16.306  11.048   9.929  1.00  0.00           C  
HETATM   17  C   UNL     1      16.758   8.479  10.404  1.00  0.00           C  
HETATM   18  O   UNL     1      14.306  10.645   8.772  1.00  0.00           O  
HETATM   19  C   UNL     1      15.367  10.197   9.455  1.00  0.00           C  
HETATM   20  C   UNL     1      15.516   8.891   9.661  1.00  0.00           C  
HETATM   21  S   UNL     1      15.265   0.009  16.853  1.00  0.00           S  
HETATM   22  N   UNL     1      18.089   4.253  13.959  1.00  0.00           N  
HETATM   23  C   UNL     1      15.947   1.253  15.978  1.00  0.00           C  
HETATM   24  O   UNL     1      13.813   0.171  16.663  1.00  0.00           O  
HETATM   25  C   UNL     1      15.195   2.383  15.379  1.00  0.00           C  
HETATM   26  C   UNL     1      15.915   3.363  14.702  1.00  0.00           C  
HETATM   27  C   UNL     1      17.413   1.250  15.865  1.00  0.00           C  
HETATM   28  C   UNL     1      17.972   2.285  15.168  1.00  0.00           C  
HETATM   29  C   UNL     1      18.534   5.695  12.098  1.00  0.00           C  
HETATM   30  C   UNL     1      17.609   5.069  12.885  1.00  0.00           C  
HETATM   31  O   UNL     1      16.436   4.741  12.333  1.00  0.00           O  
HETATM   32  N   UNL     1      15.786  -1.445  16.278  1.00  0.00           N  
HETATM   33  C   UNL     1      17.287   3.294  14.584  1.00  0.00           C  
HETATM   34  N   UNL     1      18.383   7.013  11.539  1.00  0.00           N  
HETATM   35  C   UNL     1      17.165   7.120  10.771  1.00  0.00           C  
HETATM   36  O   UNL     1      16.416   6.231  10.387  1.00  0.00           O  
HETATM   37  H   UNL     1      22.505  10.315  10.489  1.00  0.00           H  
HETATM   38  H   UNL     1      23.425   9.055  11.379  1.00  0.00           H  
HETATM   39  H   UNL     1      22.182   8.576  10.174  1.00  0.00           H  
HETATM   40  H   UNL     1      19.847  12.536  12.340  1.00  0.00           H  
HETATM   41  H   UNL     1      21.595  12.318  11.988  1.00  0.00           H  
HETATM   42  H   UNL     1      20.367  11.845  10.765  1.00  0.00           H  
HETATM   43  H   UNL     1      18.114  10.349  15.031  1.00  0.00           H  
HETATM   44  H   UNL     1      19.163  11.771  14.710  1.00  0.00           H  
HETATM   45  H   UNL     1      17.912  11.291  13.515  1.00  0.00           H  
HETATM   46  H   UNL     1      21.173   6.094  13.548  1.00  0.00           H  
HETATM   47  H   UNL     1      21.485   6.349  11.797  1.00  0.00           H  
HETATM   48  H   UNL     1      22.719   6.834  13.009  1.00  0.00           H  
HETATM   49  H   UNL     1      18.516   8.243  15.449  1.00  0.00           H  
HETATM   50  H   UNL     1      18.803   6.817  14.396  1.00  0.00           H  
HETATM   51  H   UNL     1      20.048   7.317  15.590  1.00  0.00           H  
HETATM   52  H   UNL     1      18.089  11.430  10.963  1.00  0.00           H  
HETATM   53  H   UNL     1      16.169  12.104   9.747  1.00  0.00           H  
HETATM   54  H   UNL     1      13.758   9.911   8.520  1.00  0.00           H  
HETATM   55  H   UNL     1      14.790   8.170   9.316  1.00  0.00           H  
HETATM   56  H   UNL     1      19.031   4.373  14.273  1.00  0.00           H  
HETATM   57  H   UNL     1      14.120   2.443  15.466  1.00  0.00           H  
HETATM   58  H   UNL     1      15.388   4.195  14.260  1.00  0.00           H  
HETATM   59  H   UNL     1      18.016   0.472  16.309  1.00  0.00           H  
HETATM   60  H   UNL     1      19.048   2.298  15.076  1.00  0.00           H  
HETATM   61  H   UNL     1      19.453   5.735  12.700  1.00  0.00           H  
HETATM   62  H   UNL     1      18.688   5.027  11.238  1.00  0.00           H  
HETATM   63  H   UNL     1      15.430  -1.586  15.354  1.00  0.00           H  
HETATM   64  H   UNL     1      16.786  -1.456  16.255  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2    3    9   10   12                                       
CONECT    3    2    4    5   12                                       
CONECT    4    3   37   38   39                                       
CONECT    5    3    6    7   12                                       
CONECT    6    5   40   41   42                                       
CONECT    7    5    8   10   12                                       
CONECT    8    7   43   44   45                                       
CONECT    9    2   46   47   48                                       
CONECT   10    2    7   11   12                                       
CONECT   11   10   49   50   51                                       
CONECT   12    2    3    5    7                                       
CONECT   12   10   14   34   13                                       
CONECT   13   12                                                      
CONECT   14   12   15   15   17                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   19   19   53                                       
CONECT   17   14   20   20   35                                       
CONECT   18   19   54                                                 
CONECT   19   16   16   18   20                                       
CONECT   20   17   17   19   55                                       
CONECT   21    1    1   23   24                                       
CONECT   21   24   32                                                 
CONECT   22   30   33   56                                            
CONECT   23   21   25   25   27                                       
CONECT   24   21   21                                                 
CONECT   25   23   23   26   57                                       
CONECT   26   25   33   33   58                                       
CONECT   27   23   28   28   59                                       
CONECT   28   27   27   33   60                                       
CONECT   29   30   34   61   62                                       
CONECT   30   22   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   21   63   64                                            
CONECT   33   22   26   26   28                                       
CONECT   34   12   29   35                                            
CONECT   35   17   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
