COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -20.800 -26.691 -11.430  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.097 -33.034 -12.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.741 -32.836 -12.373  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.197 -31.603 -12.180  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.085 -30.631 -11.794  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.477 -30.884 -11.604  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.170 -29.725 -11.240  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.600 -28.469 -11.015  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.247 -28.235 -11.203  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.532 -29.361 -11.593  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.523 -34.287 -12.412  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.840 -34.263 -12.144  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.328 -35.579 -12.376  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.346 -36.515 -12.773  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.671 -37.851 -13.029  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.998 -38.262 -12.890  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.981 -37.348 -12.502  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.654 -36.014 -12.236  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.500 -30.790 -10.254  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.148 -30.075  -9.071  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.919 -28.895  -8.948  1.00  0.00           C  
HETATM   22  C   UNL     1     -14.446 -30.167 -11.091  1.00  0.00           C  
HETATM   23  C   UNL     1     -14.861 -30.732 -12.316  1.00  0.00           C  
HETATM   24  C   UNL     1     -15.842 -30.173 -13.142  1.00  0.00           C  
HETATM   25  C   UNL     1     -16.215 -30.773 -14.338  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.616 -31.963 -14.750  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.632 -32.521 -13.914  1.00  0.00           C  
HETATM   28  C   UNL     1     -14.004 -33.715 -14.307  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.334 -34.379 -15.491  1.00  0.00           C  
HETATM   30  C   UNL     1     -15.305 -33.817 -16.304  1.00  0.00           C  
HETATM   31  C   UNL     1     -15.934 -32.631 -15.937  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.790 -28.046  -7.842  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.863 -28.381  -6.852  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.087 -29.541  -6.968  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.214 -30.391  -8.075  1.00  0.00           C  
HETATM   36  C   UNL     1     -14.755 -34.368  -9.210  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.450 -34.772  -8.931  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.245 -34.467  -9.501  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.817 -35.413  -8.562  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.769 -36.046  -7.780  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.105 -35.723  -7.972  1.00  0.00           C  
HETATM   42  C   UNL     1     -15.859 -34.909  -8.509  1.00  0.00           C  
HETATM   43  C   UNL     1     -17.164 -34.500  -8.779  1.00  0.00           C  
HETATM   44  C   UNL     1     -17.311 -33.566  -9.778  1.00  0.00           C  
HETATM   45  C   UNL     1     -16.165 -33.095 -10.396  1.00  0.00           C  
HETATM   46  C   UNL     1     -18.536 -33.024 -10.174  1.00  0.00           C  
HETATM   47  C   UNL     1     -18.298 -30.808  -8.824  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.852 -29.490  -8.774  1.00  0.00           C  
HETATM   49  C   UNL     1     -18.781 -28.578  -8.279  1.00  0.00           C  
HETATM   50  C   UNL     1     -19.427 -27.953  -9.348  1.00  0.00           C  
HETATM   51  C   UNL     1     -20.716 -27.436  -9.191  1.00  0.00           C  
HETATM   52  C   UNL     1     -19.515 -27.197 -11.628  1.00  0.00           C  
HETATM   53  C   UNL     1     -18.814 -27.825 -10.603  1.00  0.00           C  
HETATM   54  N   UNL     1     -11.087 -32.156 -11.758  1.00  0.00           N  
HETATM   55  N   UNL     1     -14.303 -31.891 -12.762  1.00  0.00           N  
HETATM   56  N   UNL     1     -14.877 -33.403 -10.162  1.00  0.00           N  
HETATM   57  N   UNL     1     -12.546 -34.142  -9.691  1.00  0.00           N  
HETATM   58  N   UNL     1     -18.144 -31.617 -10.039  1.00  0.00           N  
HETATM   59  N   UNL     1     -21.336 -26.841 -10.213  1.00  0.00           N  
HETATM   60  O   UNL     1     -18.823 -31.318  -7.876  1.00  0.00           O  
HETATM   61  S   UNL     1      -9.689 -35.812 -12.901  1.00  0.00           S  
HETATM   62  S   UNL     1     -15.048 -28.641 -10.339  1.00  0.00           S  
HETATM   63 IR   UNL     1     -13.025 -32.398 -11.548  1.00  0.00          Ir1+
HETATM   64  H   UNL     1     -21.340 -26.199 -12.226  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.113 -33.661 -12.675  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.145 -31.405 -12.320  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.240 -29.808 -11.122  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.232 -27.658 -10.685  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.790 -27.267 -11.060  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.470 -29.248 -11.753  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.908 -38.553 -13.329  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.266 -39.290 -13.083  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.006 -37.675 -12.406  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.421 -35.321 -11.924  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.321 -29.253 -12.842  1.00  0.00           H  
HETATM   76  H   UNL     1     -16.975 -30.314 -14.954  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.239 -34.134 -13.671  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.847 -35.303 -15.765  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.576 -34.303 -17.230  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.689 -32.215 -16.587  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.393 -27.154  -7.756  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.744 -27.741  -5.991  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.378 -29.785  -6.191  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.601 -31.276  -8.159  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.500 -33.971 -10.105  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.768 -35.644  -8.450  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.478 -36.774  -7.038  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.871 -36.205  -7.383  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.687 -35.655  -7.748  1.00  0.00           H  
HETATM   90  H   UNL     1     -18.010 -34.894  -8.236  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.330 -32.373 -11.182  1.00  0.00           H  
HETATM   92  H   UNL     1     -18.803 -33.292 -11.207  1.00  0.00           H  
HETATM   93  H   UNL     1     -19.359 -33.301  -9.499  1.00  0.00           H  
HETATM   94  H   UNL     1     -16.961 -29.454  -8.130  1.00  0.00           H  
HETATM   95  H   UNL     1     -17.580 -29.182  -9.794  1.00  0.00           H  
HETATM   96  H   UNL     1     -19.521 -29.106  -7.660  1.00  0.00           H  
HETATM   97  H   UNL     1     -18.265 -27.822  -7.668  1.00  0.00           H  
HETATM   98  H   UNL     1     -21.214 -27.518  -8.236  1.00  0.00           H  
HETATM   99  H   UNL     1     -19.054 -27.099 -12.600  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.818 -28.206 -10.771  1.00  0.00           H  
HETATM  101  H   UNL     1     -17.739 -31.173 -10.839  1.00  0.00           H  
CONECT    1   52   52   59   64                                       
CONECT    2    3    3   11   54                                       
CONECT    3    2    2    4   65                                       
CONECT    4    3    5    5   66                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5    7   54   54                                       
CONECT    7    6    8    8   67                                       
CONECT    8    7    7    9   68                                       
CONECT    9    8   10   10   69                                       
CONECT   10    5    9    9   70                                       
CONECT   11    2   12   12   61                                       
CONECT   12   11   11   13   63                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   61                                       
CONECT   15   14   16   16   71                                       
CONECT   16   15   15   17   72                                       
CONECT   17   16   18   18   73                                       
CONECT   18   13   17   17   74                                       
CONECT   19   20   22   22   63                                       
CONECT   20   19   21   21   35                                       
CONECT   21   20   20   32   62                                       
CONECT   22   19   19   23   62                                       
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   25   75                                       
CONECT   25   24   26   26   76                                       
CONECT   26   25   25   27   31                                       
CONECT   27   26   28   55   55                                       
CONECT   28   27   29   29   77                                       
CONECT   29   28   28   30   78                                       
CONECT   30   29   31   31   79                                       
CONECT   31   26   30   30   80                                       
CONECT   32   21   33   33   81                                       
CONECT   33   32   32   34   82                                       
CONECT   34   33   35   35   83                                       
CONECT   35   20   34   34   84                                       
CONECT   36   37   42   42   56                                       
CONECT   37   36   41   41   57                                       
CONECT   38   39   57   57   85                                       
CONECT   39   38   40   40   86                                       
CONECT   40   39   39   41   87                                       
CONECT   41   37   37   40   88                                       
CONECT   42   36   36   43   89                                       
CONECT   43   42   44   44   90                                       
CONECT   44   43   43   45   46                                       
CONECT   45   44   56   56   91                                       
CONECT   46   44   58   92   93                                       
CONECT   47   48   58   60   60                                       
CONECT   48   47   49   94   95                                       
CONECT   49   48   50   96   97                                       
CONECT   50   49   51   53   53                                       
CONECT   51   50   59   59   98                                       
CONECT   52    1    1   53   99                                       
CONECT   53   50   50   52  100                                       
CONECT   54    2    6    6   63                                       
CONECT   55   23   27   27   63                                       
CONECT   56   36   45   45   63                                       
CONECT   57   37   38   38   63                                       
CONECT   58   46   47  101                                            
CONECT   59    1   51   51                                            
CONECT   60   47   47                                                 
CONECT   61   11   14                                                 
CONECT   62   21   22                                                 
CONECT   63   12   19   54   55                                       
CONECT   63   56   57                                                 
CONECT   64    1                                                      
CONECT   65    3                                                      
CONECT   66    4                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   48                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   53                                                      
CONECT  101   58                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
