COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.060   3.896  -0.481  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.192   3.355  -1.744  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.450   4.194  -2.812  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.556   5.554  -2.591  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.405   6.040  -1.311  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.500   7.482  -0.985  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.749   8.465  -1.917  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.817   9.778  -1.508  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.636  10.094  -0.175  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.395   9.080   0.705  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.953   6.456   1.863  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.227   6.133   2.268  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.410   5.021   3.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.307   4.275   3.419  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.032   4.624   2.993  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.767   3.921   3.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.677   2.757   4.091  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.446   2.178   4.316  1.00  0.00           C  
HETATM   19  C   UNL     1       0.687   2.743   3.764  1.00  0.00           C  
HETATM   20  C   UNL     1       0.609   3.886   2.985  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.620   4.503   2.745  1.00  0.00           C  
HETATM   22  C   UNL     1       1.847   6.320   0.512  1.00  0.00           C  
HETATM   23  C   UNL     1       3.152   6.703   0.476  1.00  0.00           C  
HETATM   24  C   UNL     1       3.651   7.507   1.480  1.00  0.00           C  
HETATM   25  C   UNL     1       2.824   7.922   2.505  1.00  0.00           C  
HETATM   26  C   UNL     1       1.503   7.512   2.513  1.00  0.00           C  
HETATM   27  C   UNL     1       0.490   7.863   3.532  1.00  0.00           C  
HETATM   28  C   UNL     1       0.734   8.659   4.653  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.303   8.917   5.541  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.554   8.374   5.310  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.791   7.588   4.204  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.783   7.300   3.287  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.073   1.839  -1.976  1.00  0.00           C  
HETATM   34  C   UNL     1       0.618   1.328  -3.831  1.00  0.00           C  
HETATM   35  C   UNL     1       2.150   1.308  -3.875  1.00  0.00           C  
HETATM   36  C   UNL     1       2.663   1.850  -2.533  1.00  0.00           C  
HETATM   37  C   UNL     1       1.453   2.050  -1.612  1.00  0.00           C  
HETATM   38  F   UNL     1      -2.573   8.612   6.158  1.00  0.00           F  
HETATM   39  F   UNL     1       1.952   9.191   4.896  1.00  0.00           F  
HETATM   40  F   UNL     1       1.887   2.172   3.978  1.00  0.00           F  
HETATM   41  F   UNL     1      -2.770   2.186   4.639  1.00  0.00           F  
HETATM   42  N   UNL     1       0.323   1.392  -2.354  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.154   5.224  -0.258  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.338   7.793   0.312  1.00  0.00           N  
HETATM   45  N   UNL     1      -2.871   5.722   2.195  1.00  0.00           N  
HETATM   46  N   UNL     1       1.018   6.717   1.512  1.00  0.00           N  
HETATM   47  O   UNL     1      -0.292   1.207  -4.931  1.00  0.00           O  
HETATM   48  O   UNL     1       1.481   2.447  -0.240  1.00  0.00           O  
HETATM   49 IR   UNL     1      -0.945   6.171   1.635  1.00  0.00          Ir3+
HETATM   50  H   UNL     1      -0.876   3.237   0.354  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.567   3.791  -3.807  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.755   6.227  -3.412  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.889   8.209  -2.957  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.011  10.559  -2.228  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.684  11.119   0.162  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.245   9.316   1.748  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.813   7.336   1.252  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.069   6.741   1.971  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.398   4.738   3.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.437   3.404   4.044  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.368   1.287   4.921  1.00  0.00           H  
HETATM   62  H   UNL     1       1.509   4.304   2.559  1.00  0.00           H  
HETATM   63  H   UNL     1       1.461   5.686  -0.273  1.00  0.00           H  
HETATM   64  H   UNL     1       3.792   6.380  -0.332  1.00  0.00           H  
HETATM   65  H   UNL     1       4.687   7.811   1.464  1.00  0.00           H  
HETATM   66  H   UNL     1       3.204   8.559   3.290  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.133   9.539   6.408  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.781   7.186   4.044  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.760   1.556  -2.787  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.365   1.321  -1.050  1.00  0.00           H  
HETATM   71  H   UNL     1       2.507   0.278  -4.024  1.00  0.00           H  
HETATM   72  H   UNL     1       2.509   1.944  -4.698  1.00  0.00           H  
HETATM   73  H   UNL     1       3.361   1.130  -2.082  1.00  0.00           H  
HETATM   74  H   UNL     1       3.176   2.810  -2.689  1.00  0.00           H  
CONECT    1    2    2   43   50                                       
CONECT    2    3   33    1    1                                       
CONECT    3    4    4    2   51                                       
CONECT    4    3    3    5   52                                       
CONECT    5    4    6   43   43                                       
CONECT    6    7    5   44   44                                       
CONECT    7    8    8    6   53                                       
CONECT    8    7    7    9   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   44   56                                       
CONECT   11   45   45   12   57                                       
CONECT   12   11   13   13   58                                       
CONECT   13   12   12   14   59                                       
CONECT   14   15   15   13   60                                       
CONECT   15   45   16   14   14                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18   41                                       
CONECT   18   19   19   17   61                                       
CONECT   19   20   40   18   18                                       
CONECT   20   21   21   19   62                                       
CONECT   21   49   20   20   16                                       
CONECT   22   23   23   46   63                                       
CONECT   23   22   22   24   64                                       
CONECT   24   23   25   25   65                                       
CONECT   25   24   24   26   66                                       
CONECT   26   46   46   25   27                                       
CONECT   27   26   32   32   28                                       
CONECT   28   27   39   29   29                                       
CONECT   29   28   28   30   67                                       
CONECT   30   31   31   29   38                                       
CONECT   31   32   30   30   68                                       
CONECT   32   49   27   27   31                                       
CONECT   33   42    2   69   70                                       
CONECT   34   47   47   35   42                                       
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   73   74                                       
CONECT   37   36   42   48   48                                       
CONECT   38   30                                                      
CONECT   39   28                                                      
CONECT   40   19                                                      
CONECT   41   17                                                      
CONECT   42   34   33   37                                            
CONECT   43    5    5    1   49                                       
CONECT   44    6    6   10   49                                       
CONECT   45   49   11   11   15                                       
CONECT   46   22   49   26   26                                       
CONECT   47   34   34                                                 
CONECT   48   37   37                                                 
CONECT   49   43   44   46   45                                       
CONECT   49   21   32                                                 
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
