COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      20.926   7.264   9.807  1.00  0.00          Cl1-
HETATM    2  C   UNL     1      16.880   7.595  11.850  1.00  0.00           C  
HETATM    3  C   UNL     1      17.706   6.627  12.626  1.00  0.00           C  
HETATM    4  C   UNL     1      17.122   5.559  13.300  1.00  0.00           C  
HETATM    5  N   UNL     1      19.092   6.744  12.714  1.00  0.00           N  
HETATM    6  C   UNL     1      19.898   5.848  13.399  1.00  0.00           C  
HETATM    7  C   UNL     1      19.330   4.800  14.091  1.00  0.00           C  
HETATM    8  C   UNL     1      17.936   4.674  14.036  1.00  0.00           C  
HETATM    9  C   UNL     1      17.263   3.570  14.709  1.00  0.00           C  
HETATM   10  C   UNL     1      18.009   2.546  15.304  1.00  0.00           C  
HETATM   11  C   UNL     1      17.415   1.444  15.967  1.00  0.00           C  
HETATM   12  C   UNL     1      15.884   3.497  14.827  1.00  0.00           C  
HETATM   13  C   UNL     1      15.298   2.382  15.502  1.00  0.00           C  
HETATM   14  C   UNL     1      16.040   1.325  16.094  1.00  0.00           C  
HETATM   15  S   UNL     1      15.430   0.023  16.931  1.00  0.00           S  
HETATM   16  O   UNL     1      15.969   0.121  18.268  1.00  0.00           O  
HETATM   17  O   UNL     1      13.989   0.190  16.867  1.00  0.00           O  
HETATM   18  N   UNL     1      15.888  -1.341  16.268  1.00  0.00           N  
HETATM   19  N   UNL     1      17.889   8.419  11.159  1.00  0.00           N1-
HETATM   20  S   UNL     1      17.809   8.242   9.626  1.00  0.00           S  
HETATM   21  O   UNL     1      18.756   9.207   9.110  1.00  0.00           O  
HETATM   22  O   UNL     1      18.274   6.908   9.327  1.00  0.00           O  
HETATM   23  C   UNL     1      16.266   8.408   9.123  1.00  0.00           C  
HETATM   24  C   UNL     1      15.658   9.678   9.119  1.00  0.00           C  
HETATM   25  C   UNL     1      14.325   9.804   8.690  1.00  0.00           C  
HETATM   26  C   UNL     1      13.599   8.677   8.274  1.00  0.00           C  
HETATM   27  C   UNL     1      14.211   7.415   8.274  1.00  0.00           C  
HETATM   28  C   UNL     1      15.541   7.283   8.701  1.00  0.00           C  
HETATM   29  C   UNL     1      19.277   9.848  13.115  1.00  0.00           C1-
HETATM   30  C   UNL     1      17.897   9.903  13.524  1.00  0.00           C  
HETATM   31  C   UNL     1      19.762  10.613  12.004  1.00  0.00           C  
HETATM   32  C   UNL     1      18.958  11.550  11.131  1.00  0.00           C  
HETATM   33  C   UNL     1      21.165  10.308  11.916  1.00  0.00           C  
HETATM   34  C   UNL     1      22.079  10.897  10.888  1.00  0.00           C  
HETATM   35  C   UNL     1      21.529   9.360  12.970  1.00  0.00           C  
HETATM   36  C   UNL     1      22.887   8.799  13.207  1.00  0.00           C  
HETATM   37  C   UNL     1      20.323   9.051  13.757  1.00  0.00           C  
HETATM   38  C   UNL     1      20.188   8.139  14.936  1.00  0.00           C  
HETATM   39 IR   UNL     1      20.046   8.428  11.734  1.00  0.00          Ir3+
HETATM   40  H   UNL     1      16.235   7.073  11.128  1.00  0.00           H  
HETATM   41  H   UNL     1      16.260   8.210  12.519  1.00  0.00           H  
HETATM   42  H   UNL     1      16.053   5.409  13.260  1.00  0.00           H  
HETATM   43  H   UNL     1      20.971   5.971  13.391  1.00  0.00           H  
HETATM   44  H   UNL     1      19.935   4.104  14.653  1.00  0.00           H  
HETATM   45  H   UNL     1      19.087   2.598  15.255  1.00  0.00           H  
HETATM   46  H   UNL     1      15.259   4.274  14.413  1.00  0.00           H  
HETATM   47  H   UNL     1      18.050   0.677  16.384  1.00  0.00           H  
HETATM   48  H   UNL     1      14.221   2.340  15.566  1.00  0.00           H  
HETATM   49  H   UNL     1      15.510  -2.108  16.787  1.00  0.00           H  
HETATM   50  H   UNL     1      16.211  10.548   9.443  1.00  0.00           H  
HETATM   51  H   UNL     1      16.010   6.310   8.705  1.00  0.00           H  
HETATM   52  H   UNL     1      13.856  10.777   8.681  1.00  0.00           H  
HETATM   53  H   UNL     1      12.573   8.781   7.955  1.00  0.00           H  
HETATM   54  H   UNL     1      13.660   6.546   7.946  1.00  0.00           H  
HETATM   55  H   UNL     1      17.744   9.243  14.391  1.00  0.00           H  
HETATM   56  H   UNL     1      17.637  10.936  13.800  1.00  0.00           H  
HETATM   57  H   UNL     1      17.255   9.573  12.694  1.00  0.00           H  
HETATM   58  H   UNL     1      19.612  11.988  10.363  1.00  0.00           H  
HETATM   59  H   UNL     1      18.145  10.991  10.644  1.00  0.00           H  
HETATM   60  H   UNL     1      18.531  12.352  11.750  1.00  0.00           H  
HETATM   61  H   UNL     1      23.097  10.505  11.034  1.00  0.00           H  
HETATM   62  H   UNL     1      21.723  10.627   9.883  1.00  0.00           H  
HETATM   63  H   UNL     1      22.089  11.992  10.991  1.00  0.00           H  
HETATM   64  H   UNL     1      22.856   8.114  14.068  1.00  0.00           H  
HETATM   65  H   UNL     1      23.218   8.250  12.313  1.00  0.00           H  
HETATM   66  H   UNL     1      23.591   9.618  13.415  1.00  0.00           H  
HETATM   67  H   UNL     1      21.166   7.691  15.167  1.00  0.00           H  
HETATM   68  H   UNL     1      19.833   8.713  15.805  1.00  0.00           H  
HETATM   69  H   UNL     1      19.466   7.343  14.703  1.00  0.00           H  
HETATM   70  H   UNL     1      15.557  -1.381  15.325  1.00  0.00           H  
CONECT    1   39                                                      
CONECT    2    3   19   40   41                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    8    8   42                                       
CONECT    5    3    3    6   39                                       
CONECT    6    5    7    7   43                                       
CONECT    7    6    6    8   44                                       
CONECT    8    4    4    7    9                                       
CONECT    9    8   10   12   12                                       
CONECT   10    9   11   11   45                                       
CONECT   11   10   10   14   47                                       
CONECT   12    9    9   13   46                                       
CONECT   13   12   14   14   48                                       
CONECT   14   11   13   13   15                                       
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   49   70                                            
CONECT   19    2   20   39                                            
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   28   28                                       
CONECT   24   23   25   25   50                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   23   23   27   51                                       
CONECT   29   30   31   37   39                                       
CONECT   30   29   55   56   57                                       
CONECT   31   29   32   33   33                                       
CONECT   31   39                                                      
CONECT   32   31   58   59   60                                       
CONECT   33   31   31   34   35                                       
CONECT   33   39                                                      
CONECT   34   33   61   62   63                                       
CONECT   35   33   36   37   37                                       
CONECT   35   39                                                      
CONECT   36   35   64   65   66                                       
CONECT   37   29   35   35   38                                       
CONECT   37   39                                                      
CONECT   38   37   67   68   69                                       
CONECT   39    1    5   19   29                                       
CONECT   39   31   33   35   37                                       
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   18                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   18                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
