COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -24.291 -15.613  -9.762  1.00  0.00           C  
HETATM    2  C   UNL     1     -25.755 -15.327 -12.152  1.00  0.00           C  
HETATM    3  C   UNL     1     -25.592 -16.127  -9.874  1.00  0.00           C  
HETATM    4  C   UNL     1     -23.729 -14.952 -10.869  1.00  0.00           C  
HETATM    5  C   UNL     1     -24.460 -14.811 -12.055  1.00  0.00           C  
HETATM    6  C   UNL     1     -26.331 -15.989 -11.061  1.00  0.00           C  
HETATM    7  C   UNL     1     -27.691 -16.593 -10.997  1.00  0.00           C  
HETATM    8  C   UNL     1     -29.936 -17.810 -10.320  1.00  0.00           C  
HETATM    9  C   UNL     1     -28.665 -16.631 -11.988  1.00  0.00           C  
HETATM   10  C   UNL     1     -29.851 -17.276 -11.621  1.00  0.00           C  
HETATM   11  C   UNL     1     -29.190 -17.749  -9.641  1.00  0.00           C  
HETATM   12  C   UNL     1     -26.944 -15.212  -7.839  1.00  0.00           C  
HETATM   13  C   UNL     1     -27.301 -12.629  -6.883  1.00  0.00           C  
HETATM   14  C   UNL     1     -27.765 -14.324  -8.550  1.00  0.00           C  
HETATM   15  C   UNL     1     -26.286 -14.831  -6.668  1.00  0.00           C  
HETATM   16  C   UNL     1     -26.478 -13.527  -6.192  1.00  0.00           C  
HETATM   17  C   UNL     1     -27.946 -13.023  -8.061  1.00  0.00           C  
HETATM   18  C   UNL     1     -25.454 -15.917  -6.075  1.00  0.00           C  
HETATM   19  C   UNL     1     -23.997 -18.082  -5.187  1.00  0.00           C  
HETATM   20  C   UNL     1     -24.701 -15.804  -4.901  1.00  0.00           C  
HETATM   21  C   UNL     1     -23.958 -16.898  -4.440  1.00  0.00           C  
HETATM   22  C   UNL     1     -24.770 -18.128  -6.353  1.00  0.00           C  
HETATM   23  C   UNL     1     -28.897 -19.970  -5.319  1.00  0.00           C  
HETATM   24  C   UNL     1     -28.228 -17.733  -6.009  1.00  0.00           C  
HETATM   25  C   UNL     1     -27.566 -19.539  -7.290  1.00  0.00           C  
HETATM   26  C   UNL     1     -28.210 -20.439  -6.438  1.00  0.00           C  
HETATM   27  C   UNL     1     -28.894 -18.586  -5.120  1.00  0.00           C  
HETATM   28  C   UNL     1     -26.816 -19.945  -8.496  1.00  0.00           C  
HETATM   29  C   UNL     1     -25.400 -20.455 -10.767  1.00  0.00           C  
HETATM   30  C   UNL     1     -26.665 -21.264  -8.924  1.00  0.00           C  
HETATM   31  C   UNL     1     -25.937 -21.549 -10.080  1.00  0.00           C  
HETATM   32  C   UNL     1     -25.573 -19.157 -10.282  1.00  0.00           C  
HETATM   33  C   UNL     1     -24.569 -20.668 -12.035  1.00  0.00           C  
HETATM   34  C   UNL     1     -22.451 -21.218 -10.629  1.00  0.00           C  
HETATM   35  C   UNL     1     -21.017 -21.708 -10.430  1.00  0.00           C  
HETATM   36  C   UNL     1     -20.602 -23.178 -10.357  1.00  0.00           C  
HETATM   37  C   UNL     1     -19.093 -23.154 -10.572  1.00  0.00           C  
HETATM   38  C   UNL     1     -16.851 -23.178  -9.747  1.00  0.00           C  
HETATM   39  C   UNL     1     -18.220 -23.240  -9.493  1.00  0.00           C  
HETATM   40  C   UNL     1     -18.600 -22.947 -11.858  1.00  0.00           C  
HETATM   41  C   UNL     1     -17.219 -22.890 -12.046  1.00  0.00           C  
HETATM   42  C   UNL     1     -19.934 -19.789  -9.280  1.00  0.00           C  
HETATM   43  C   UNL     1     -18.623 -18.483 -11.025  1.00  0.00           C  
HETATM   44  C   UNL     1     -17.662 -17.926  -9.959  1.00  0.00           C  
HETATM   45  C   UNL     1     -17.923 -19.604 -11.815  1.00  0.00           C  
HETATM   46  C   UNL     1     -18.983 -17.348 -12.000  1.00  0.00           C  
HETATM   47  F   UNL     1     -22.480 -14.445 -10.797  1.00  0.00           F  
HETATM   48  F   UNL     1     -26.425 -15.170 -13.315  1.00  0.00           F  
HETATM   49  F   UNL     1     -25.881 -13.102  -5.059  1.00  0.00           F  
HETATM   50  F   UNL     1     -28.740 -12.152  -8.722  1.00  0.00           F  
HETATM   51  N   UNL     1     -27.999 -17.161  -9.843  1.00  0.00           N  
HETATM   52  N   UNL     1     -27.591 -18.223  -7.075  1.00  0.00           N  
HETATM   53  N   UNL     1     -25.446 -17.055  -6.776  1.00  0.00           N  
HETATM   54  N   UNL     1     -26.265 -18.937  -9.164  1.00  0.00           N  
HETATM   55  N   UNL     1     -23.197 -21.170 -11.901  1.00  0.00           N  
HETATM   56  N   UNL     1     -16.395 -23.004 -10.996  1.00  0.00           N  
HETATM   57  N   UNL     1     -20.513 -21.130  -9.175  1.00  0.00           N  
HETATM   58  O   UNL     1     -22.964 -20.807  -9.613  1.00  0.00           O  
HETATM   59  O   UNL     1     -19.844 -18.950 -10.437  1.00  0.00           O  
HETATM   60  O   UNL     1     -19.528 -19.323  -8.241  1.00  0.00           O  
HETATM   61 IR   UNL     1     -26.594 -17.107  -8.419  1.00  0.00          Ir1+
HETATM   62  H   UNL     1     -23.732 -15.723  -8.844  1.00  0.00           H  
HETATM   63  H   UNL     1     -24.021 -14.301 -12.899  1.00  0.00           H  
HETATM   64  H   UNL     1     -30.848 -18.312 -10.033  1.00  0.00           H  
HETATM   65  H   UNL     1     -28.518 -16.196 -12.966  1.00  0.00           H  
HETATM   66  H   UNL     1     -30.676 -17.362 -12.313  1.00  0.00           H  
HETATM   67  H   UNL     1     -29.365 -18.193  -8.672  1.00  0.00           H  
HETATM   68  H   UNL     1     -27.439 -11.627  -6.505  1.00  0.00           H  
HETATM   69  H   UNL     1     -28.251 -14.639  -9.462  1.00  0.00           H  
HETATM   70  H   UNL     1     -23.438 -18.949  -4.867  1.00  0.00           H  
HETATM   71  H   UNL     1     -24.693 -14.874  -4.351  1.00  0.00           H  
HETATM   72  H   UNL     1     -23.372 -16.831  -3.535  1.00  0.00           H  
HETATM   73  H   UNL     1     -24.821 -19.046  -6.920  1.00  0.00           H  
HETATM   74  H   UNL     1     -29.405 -20.641  -4.642  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.230 -16.668  -5.830  1.00  0.00           H  
HETATM   76  H   UNL     1     -28.176 -21.498  -6.646  1.00  0.00           H  
HETATM   77  H   UNL     1     -29.412 -18.169  -4.269  1.00  0.00           H  
HETATM   78  H   UNL     1     -27.113 -22.068  -8.359  1.00  0.00           H  
HETATM   79  H   UNL     1     -25.795 -22.562 -10.426  1.00  0.00           H  
HETATM   80  H   UNL     1     -25.142 -18.324 -10.817  1.00  0.00           H  
HETATM   81  H   UNL     1     -24.984 -20.453 -13.008  1.00  0.00           H  
HETATM   82  H   UNL     1     -20.426 -21.264 -11.244  1.00  0.00           H  
HETATM   83  H   UNL     1     -21.099 -23.763 -11.145  1.00  0.00           H  
HETATM   84  H   UNL     1     -20.849 -23.604  -9.373  1.00  0.00           H  
HETATM   85  H   UNL     1     -16.151 -23.271  -8.930  1.00  0.00           H  
HETATM   86  H   UNL     1     -18.593 -23.352  -8.486  1.00  0.00           H  
HETATM   87  H   UNL     1     -19.274 -22.833 -12.694  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.814 -22.754 -13.038  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.394 -18.725  -9.253  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.752 -17.548 -10.448  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.153 -17.106  -9.415  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.658 -20.425 -11.132  1.00  0.00           H  
HETATM   93  H   UNL     1     -18.601 -19.981 -12.595  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.010 -19.208 -12.283  1.00  0.00           H  
HETATM   95  H   UNL     1     -19.485 -16.538 -11.451  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.065 -16.961 -12.467  1.00  0.00           H  
HETATM   97  H   UNL     1     -19.656 -17.734 -12.780  1.00  0.00           H  
HETATM   98  H   UNL     1     -20.563 -21.621  -8.305  1.00  0.00           H  
CONECT    1    4    4    3   62                                       
CONECT    2   48    5    5    6                                       
CONECT    3    6    6    1   61                                       
CONECT    4    5   47    1    1                                       
CONECT    5    2    2    4   63                                       
CONECT    6    2    7    3    3                                       
CONECT    7    9    6   51   51                                       
CONECT    8   10   11   11   64                                       
CONECT    9   10   10    7   65                                       
CONECT   10    9    9    8   66                                       
CONECT   11    8    8   51   67                                       
CONECT   12   14   61   15   15                                       
CONECT   13   17   16   16   68                                       
CONECT   14   17   17   12   69                                       
CONECT   15   12   12   16   18                                       
CONECT   16   13   13   15   49                                       
CONECT   17   50   14   14   13                                       
CONECT   18   53   15   20   20                                       
CONECT   19   22   21   21   70                                       
CONECT   20   18   18   21   71                                       
CONECT   21   19   19   20   72                                       
CONECT   22   53   53   19   73                                       
CONECT   23   26   26   27   74                                       
CONECT   24   52   27   27   75                                       
CONECT   25   28   52   52   26                                       
CONECT   26   25   23   23   76                                       
CONECT   27   24   24   23   77                                       
CONECT   28   54   54   30   25                                       
CONECT   29   33   32   32   31                                       
CONECT   30   31   31   28   78                                       
CONECT   31   29   30   30   79                                       
CONECT   32   29   29   54   80                                       
CONECT   33   55   55   29   81                                       
CONECT   34   55   35   58   58                                       
CONECT   35   34   36   57   82                                       
CONECT   36   37   35   83   84                                       
CONECT   37   40   36   39   39                                       
CONECT   38   56   56   39   85                                       
CONECT   39   37   37   38   86                                       
CONECT   40   41   41   37   87                                       
CONECT   41   40   40   56   88                                       
CONECT   42   59   57   60   60                                       
CONECT   43   46   45   59   44                                       
CONECT   44   43   89   90   91                                       
CONECT   45   43   92   93   94                                       
CONECT   46   43   95   96   97                                       
CONECT   47    4                                                      
CONECT   48    2                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51    7    7   11   61                                       
CONECT   52   61   25   25   24                                       
CONECT   53   61   22   22   18                                       
CONECT   54   32   28   28   61                                       
CONECT   55   33   33   34                                            
CONECT   56   41   38   38                                            
CONECT   57   35   42   98                                            
CONECT   58   34   34                                                 
CONECT   59   43   42                                                 
CONECT   60   42   42                                                 
CONECT   61    3   51   54   12                                       
CONECT   61   52   53                                                 
CONECT   62    1                                                      
CONECT   63    5                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   57                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
