COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.509  10.122  10.849  1.00  0.00           C  
HETATM    2  C   UNL     1      14.113  10.011  10.649  1.00  0.00           C  
HETATM    3  C   UNL     1      14.052   8.743  11.077  1.00  0.00           C  
HETATM    4  C   UNL     1      14.735   2.457  15.836  1.00  0.00           C  
HETATM    5  C   UNL     1      15.309  10.688  10.554  1.00  0.00           C  
HETATM    6  N   UNL     1      16.592   8.857  11.214  1.00  0.00           N  
HETATM    7  C   UNL     1      15.373   8.128  11.377  1.00  0.00           C  
HETATM    8  C   UNL     1      15.689   1.396  16.126  1.00  0.00           C  
HETATM    9  C   UNL     1      17.074   1.637  15.697  1.00  0.00           C  
HETATM   10  C   UNL     1      17.387   2.852  15.099  1.00  0.00           C  
HETATM   11  C   UNL     1      16.439   3.799  14.809  1.00  0.00           C  
HETATM   12  C   UNL     1      15.572   6.747  11.872  1.00  0.00           C  
HETATM   13  O   UNL     1      15.724   0.100  18.296  1.00  0.00           O  
HETATM   14  C   UNL     1      20.123   7.048  12.391  1.00  0.00           C  
HETATM   15  C   UNL     1      20.302   7.879  11.149  1.00  0.00           C  
HETATM   16  C   UNL     1      20.807   7.385   9.783  1.00  0.00           C  
HETATM   17  C   UNL     1      19.815   9.264  11.370  1.00  0.00           C  
HETATM   18  C   UNL     1      19.876  10.507  10.380  1.00  0.00           C  
HETATM   19  C   UNL     1      19.419   9.284  12.766  1.00  0.00           C  
HETATM   20  C   UNL     1      18.916  10.468  13.500  1.00  0.00           C  
HETATM   21  C   UNL     1      20.552   5.581  12.515  1.00  0.00           C  
HETATM   22  C   UNL     1      19.569   7.966  13.382  1.00  0.00           C  
HETATM   23  C   UNL     1      19.336   7.635  14.858  1.00  0.00           C  
HETATM   24 IR   UNL     1      18.281   7.801  11.691  1.00  0.00          Ir  
HETATM   25 CL   UNL     1      17.638   6.896   9.546  1.00  0.00          Cl  
HETATM   26  S   UNL     1      15.181   0.017  16.951  1.00  0.00           S  
HETATM   27  O   UNL     1      13.713   0.017  16.883  1.00  0.00           O  
HETATM   28  C   UNL     1      15.146   3.578  15.238  1.00  0.00           C  
HETATM   29  C   UNL     1      16.978   4.966  12.773  1.00  0.00           C  
HETATM   30  C   UNL     1      16.858   5.057  14.168  1.00  0.00           C  
HETATM   31  N   UNL     1      15.780  -1.223  16.194  1.00  0.00           N  
HETATM   32  N   UNL     1      16.885   6.357  12.127  1.00  0.00           N  
HETATM   33  O   UNL     1      14.523   6.053  12.018  1.00  0.00           O  
HETATM   34  H   UNL     1      17.408  10.717  10.784  1.00  0.00           H  
HETATM   35  H   UNL     1      13.200  10.516  10.371  1.00  0.00           H  
HETATM   36  H   UNL     1      13.120   8.211  11.195  1.00  0.00           H  
HETATM   37  H   UNL     1      13.696   2.338  16.104  1.00  0.00           H  
HETATM   38  H   UNL     1      15.292  11.718  10.229  1.00  0.00           H  
HETATM   39  H   UNL     1      17.834   0.884  15.844  1.00  0.00           H  
HETATM   40  H   UNL     1      18.418   3.058  14.853  1.00  0.00           H  
HETATM   41  H   UNL     1      20.829   8.226   9.074  1.00  0.00           H  
HETATM   42  H   UNL     1      21.821   6.972   9.894  1.00  0.00           H  
HETATM   43  H   UNL     1      20.133   6.603   9.404  1.00  0.00           H  
HETATM   44  H   UNL     1      19.423  11.385  10.864  1.00  0.00           H  
HETATM   45  H   UNL     1      20.925  10.726  10.131  1.00  0.00           H  
HETATM   46  H   UNL     1      19.323  10.270   9.460  1.00  0.00           H  
HETATM   47  H   UNL     1      18.695  10.188  14.541  1.00  0.00           H  
HETATM   48  H   UNL     1      19.680  11.259  13.488  1.00  0.00           H  
HETATM   49  H   UNL     1      17.999  10.837  13.017  1.00  0.00           H  
HETATM   50  H   UNL     1      20.309   5.211  13.522  1.00  0.00           H  
HETATM   51  H   UNL     1      20.019   4.979  11.765  1.00  0.00           H  
HETATM   52  H   UNL     1      21.636   5.501  12.347  1.00  0.00           H  
HETATM   53  H   UNL     1      18.910   8.512  15.368  1.00  0.00           H  
HETATM   54  H   UNL     1      18.638   6.789  14.938  1.00  0.00           H  
HETATM   55  H   UNL     1      20.293   7.366  15.329  1.00  0.00           H  
HETATM   56  H   UNL     1      14.420   4.362  15.080  1.00  0.00           H  
HETATM   57  H   UNL     1      17.950   4.516  12.523  1.00  0.00           H  
HETATM   58  H   UNL     1      16.169   4.332  12.382  1.00  0.00           H  
HETATM   59  H   UNL     1      16.113   5.832  14.403  1.00  0.00           H  
HETATM   60  H   UNL     1      17.834   5.350  14.582  1.00  0.00           H  
HETATM   61  H   UNL     1      15.499  -2.064  16.656  1.00  0.00           H  
HETATM   62  H   UNL     1      15.444  -1.232  15.252  1.00  0.00           H  
CONECT    1    5    5    6   34                                       
CONECT    2    3    3    5   35                                       
CONECT    3    2    2    7   36                                       
CONECT    4    8    8   28   37                                       
CONECT    5    1    1    2   38                                       
CONECT    6    1    7    7   24                                       
CONECT    7    3    6    6   12                                       
CONECT    8    4    4    9   26                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   28   28   30                                       
CONECT   12    7   32   33   33                                       
CONECT   13   26   26                                                 
CONECT   14   15   21   22   24                                       
CONECT   15   14   16   17   24                                       
CONECT   16   15   41   42   43                                       
CONECT   17   15   18   19   24                                       
CONECT   18   17   44   45   46                                       
CONECT   19   17   20   22   24                                       
CONECT   20   19   47   48   49                                       
CONECT   21   14   50   51   52                                       
CONECT   22   14   19   23   24                                       
CONECT   23   22   53   54   55                                       
CONECT   24    6   14   15   17                                       
CONECT   24   19   22   32   25                                       
CONECT   25   24                                                      
CONECT   26    8   13   13   27                                       
CONECT   26   27   31                                                 
CONECT   27   26   26                                                 
CONECT   28    4   11   11   56                                       
CONECT   29   30   32   57   58                                       
CONECT   30   11   29   59   60                                       
CONECT   31   26   61   62                                            
CONECT   32   12   24   29                                            
CONECT   33   12   12                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
