COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.209   5.229  -0.605  1.00  0.00           C  
HETATM    2  C   UNL     1       1.662   4.140   2.006  1.00  0.00           C  
HETATM    3  C   UNL     1       1.295   2.373   3.655  1.00  0.00           C  
HETATM    4  C   UNL     1       0.101   2.976   3.992  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.170   6.175  -1.279  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.653   5.610  -2.457  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.644   4.240  -2.619  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.696   4.071  -0.463  1.00  0.00           C  
HETATM    9  C   UNL     1       3.566   6.357  -1.062  1.00  0.00           C  
HETATM   10  C   UNL     1       2.346   6.691  -0.493  1.00  0.00           C  
HETATM   11  C   UNL     1       2.044   2.975   2.668  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.904   7.550   4.302  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.347   4.127   3.388  1.00  0.00           C  
HETATM   14  C   UNL     1       0.424   4.733   2.378  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.149   3.444  -1.621  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.134   7.566  -1.017  1.00  0.00           C  
HETATM   17  C   UNL     1       1.464   1.917  -1.927  1.00  0.00           C  
HETATM   18  C   UNL     1       2.405   1.188  -2.896  1.00  0.00           C  
HETATM   19  C   UNL     1       1.635   1.045  -4.214  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.741   7.338   3.556  1.00  0.00           C  
HETATM   21  C   UNL     1       1.921   7.823   3.242  1.00  0.00           C  
HETATM   22  C   UNL     1       0.620   7.438   2.960  1.00  0.00           C  
HETATM   23  C   UNL     1       2.408   4.829   0.944  1.00  0.00           C  
HETATM   24  C   UNL     1       3.643   4.464   0.390  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.591   8.522  -1.938  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.117   7.078   3.857  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.517   9.848  -1.603  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.000  10.219  -0.374  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.583   9.244   0.464  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.164   6.390   2.648  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.996   6.204   1.953  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.389   7.779   3.904  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.046   8.486   5.055  1.00  0.00           C  
HETATM   34  C   UNL     1       1.250   8.874   5.332  1.00  0.00           C  
HETATM   35  C   UNL     1       2.182   8.517   4.400  1.00  0.00           C  
HETATM   36  C   UNL     1       0.151   0.968  -3.828  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.143   1.909  -1.783  1.00  0.00           C  
HETATM   38  F   UNL     1       3.209   2.362   2.371  1.00  0.00           F  
HETATM   39  F   UNL     1      -0.643   2.383   4.964  1.00  0.00           F  
HETATM   40  F   UNL     1      -0.987   8.833   5.964  1.00  0.00           F  
HETATM   41  F   UNL     1       3.456   8.866   4.627  1.00  0.00           F  
HETATM   42  N   UNL     1       0.142   1.363  -2.377  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.791   6.660   2.363  1.00  0.00           N  
HETATM   44  N   UNL     1       1.789   5.947   0.483  1.00  0.00           N  
HETATM   45  N   UNL     1      -0.710   5.415  -0.293  1.00  0.00           N  
HETATM   46  N   UNL     1      -0.634   7.926   0.139  1.00  0.00           N  
HETATM   47  O   UNL     1      -0.908   0.356  -4.567  1.00  0.00           O  
HETATM   48  O   UNL     1       1.791   2.323  -0.604  1.00  0.00           O  
HETATM   49 IR   UNL     1      -0.014   6.402   1.362  1.00  0.00          Ir3+
HETATM   50  H   UNL     1       5.161   4.943  -1.028  1.00  0.00           H  
HETATM   51  H   UNL     1       1.628   1.469   4.143  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.034   6.244  -3.243  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.025   3.798  -3.528  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.315   3.456   0.339  1.00  0.00           H  
HETATM   55  H   UNL     1       4.000   6.965  -1.842  1.00  0.00           H  
HETATM   56  H   UNL     1       1.828   7.572  -0.842  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.850   8.089   5.236  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.288   4.565   3.688  1.00  0.00           H  
HETATM   59  H   UNL     1       2.668   0.197  -2.499  1.00  0.00           H  
HETATM   60  H   UNL     1       3.322   1.776  -3.052  1.00  0.00           H  
HETATM   61  H   UNL     1       1.942   0.128  -4.739  1.00  0.00           H  
HETATM   62  H   UNL     1       1.818   1.916  -4.860  1.00  0.00           H  
HETATM   63  H   UNL     1       2.722   7.580   2.559  1.00  0.00           H  
HETATM   64  H   UNL     1       4.152   3.580   0.745  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.993   8.218  -2.893  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.015   7.238   4.435  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.861  10.602  -2.296  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.932  11.259  -0.092  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.193   9.524   1.431  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.100   6.011   2.265  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.042   5.660   1.021  1.00  0.00           H  
HETATM   72  H   UNL     1       1.509   9.423   6.225  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.978   1.626  -2.441  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.288   1.455  -0.792  1.00  0.00           H  
CONECT    1    9    9   24   50                                       
CONECT    2   23   14   14   11                                       
CONECT    3   11   11    4   51                                       
CONECT    4   13   13    3   39                                       
CONECT    5    6   16   45   45                                       
CONECT    6    7    7    5   52                                       
CONECT    7    6    6   15   53                                       
CONECT    8   15   15   45   54                                       
CONECT    9    1    1   10   55                                       
CONECT   10    9   44   44   56                                       
CONECT   11    2   38    3    3                                       
CONECT   12   20   20   26   57                                       
CONECT   13   14    4    4   58                                       
CONECT   14   49    2    2   13                                       
CONECT   15    7   37    8    8                                       
CONECT   16   25    5   46   46                                       
CONECT   17   18   42   48   48                                       
CONECT   18   19   17   59   60                                       
CONECT   19   36   18   61   62                                       
CONECT   20   43   32   12   12                                       
CONECT   21   22   22   35   63                                       
CONECT   22   49   21   21   32                                       
CONECT   23   24   24   44    2                                       
CONECT   24    1   23   23   64                                       
CONECT   25   27   27   16   65                                       
CONECT   26   30   30   12   66                                       
CONECT   27   25   25   28   67                                       
CONECT   28   27   29   29   68                                       
CONECT   29   28   28   46   69                                       
CONECT   30   31   26   26   70                                       
CONECT   31   43   43   30   71                                       
CONECT   32   22   20   33   33                                       
CONECT   33   32   32   34   40                                       
CONECT   34   35   35   33   72                                       
CONECT   35   21   41   34   34                                       
CONECT   36   47   47   19   42                                       
CONECT   37   42   15   73   74                                       
CONECT   38   11                                                      
CONECT   39    4                                                      
CONECT   40   33                                                      
CONECT   41   35                                                      
CONECT   42   36   17   37                                            
CONECT   43   49   31   31   20                                       
CONECT   44   10   10   23   49                                       
CONECT   45    5    5    8   49                                       
CONECT   46   16   16   29   49                                       
CONECT   47   36   36                                                 
CONECT   48   17   17                                                 
CONECT   49   45   46   44   43                                       
CONECT   49   14   22                                                 
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
