COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -28.154  -9.987 -13.133  1.00  0.00           C  
HETATM    2  C   UNL     1     -29.262 -11.059 -14.945  1.00  0.00           C  
HETATM    3  C   UNL     1     -26.658 -11.398 -11.579  1.00  0.00           C  
HETATM    4  C   UNL     1     -24.975 -11.855  -9.491  1.00  0.00           C  
HETATM    5  C   UNL     1     -26.280 -10.325 -10.737  1.00  0.00           C  
HETATM    6  C   UNL     1     -24.272 -12.883 -14.012  1.00  0.00           C  
HETATM    7  C   UNL     1     -24.938 -13.807 -16.526  1.00  0.00           C  
HETATM    8  C   UNL     1     -25.521 -13.570 -14.127  1.00  0.00           C  
HETATM    9  C   UNL     1     -23.393 -12.665 -15.109  1.00  0.00           C  
HETATM   10  C   UNL     1     -23.723 -13.122 -16.388  1.00  0.00           C  
HETATM   11  C   UNL     1     -25.806 -14.038 -15.429  1.00  0.00           C  
HETATM   12  C   UNL     1     -27.094 -14.754 -15.476  1.00  0.00           C  
HETATM   13  C   UNL     1     -29.534 -16.049 -15.417  1.00  0.00           C  
HETATM   14  C   UNL     1     -27.636 -15.293 -16.660  1.00  0.00           C  
HETATM   15  C   UNL     1     -28.865 -15.942 -16.635  1.00  0.00           C  
HETATM   16  C   UNL     1     -28.923 -15.480 -14.290  1.00  0.00           C  
HETATM   17  C   UNL     1     -27.818 -12.414 -13.402  1.00  0.00           C  
HETATM   18  C   UNL     1     -29.005  -9.886 -14.236  1.00  0.00           C  
HETATM   19  C   UNL     1     -28.675 -12.284 -14.544  1.00  0.00           C  
HETATM   20  C   UNL     1     -27.565 -11.206 -12.730  1.00  0.00           C  
HETATM   21  C   UNL     1     -25.411 -10.531  -9.670  1.00  0.00           C  
HETATM   22  C   UNL     1     -25.405 -12.885 -10.361  1.00  0.00           C  
HETATM   23  C   UNL     1     -29.259 -17.223  -9.811  1.00  0.00           C  
HETATM   24  C   UNL     1     -29.293 -15.260 -11.341  1.00  0.00           C  
HETATM   25  C   UNL     1     -27.320 -16.229 -10.875  1.00  0.00           C  
HETATM   26  C   UNL     1     -27.895 -17.198 -10.025  1.00  0.00           C  
HETATM   27  C   UNL     1     -29.930 -16.224 -10.524  1.00  0.00           C  
HETATM   28  C   UNL     1     -25.883 -16.235 -11.081  1.00  0.00           C  
HETATM   29  C   UNL     1     -23.215 -16.074 -11.594  1.00  0.00           C  
HETATM   30  C   UNL     1     -24.983 -17.152 -10.486  1.00  0.00           C  
HETATM   31  C   UNL     1     -23.603 -17.101 -10.727  1.00  0.00           C  
HETATM   32  C   UNL     1     -24.197 -15.228 -12.139  1.00  0.00           C  
HETATM   33  C   UNL     1     -21.754 -15.815 -12.033  1.00  0.00           C  
HETATM   34  C   UNL     1     -19.727 -16.534 -10.697  1.00  0.00           C  
HETATM   35  C   UNL     1     -18.906 -18.799  -9.917  1.00  0.00           C  
HETATM   36  C   UNL     1     -19.781 -21.741  -9.830  1.00  0.00           C  
HETATM   37  C   UNL     1     -18.426 -22.194  -9.852  1.00  0.00           C  
HETATM   38  C   UNL     1     -18.685 -23.009 -12.000  1.00  0.00           C  
HETATM   39  C   UNL     1     -20.048 -22.568 -12.045  1.00  0.00           C  
HETATM   40  N   UNL     1     -27.697 -14.876 -14.280  1.00  0.00           N  
HETATM   41  N   UNL     1     -27.954 -15.208 -11.536  1.00  0.00           N  
HETATM   42  N   UNL     1     -26.252 -12.680 -11.402  1.00  0.00           N  
HETATM   43  N   UNL     1     -25.534 -15.284 -11.945  1.00  0.00           N  
HETATM   44  N   UNL     1     -20.639 -15.473 -11.136  1.00  0.00           N  
HETATM   45 IR   UNL     1     -26.847 -14.017 -12.721  1.00  0.00          Ir  
HETATM   46  C   UNL     1     -19.703 -18.035 -10.971  1.00  0.00           C  
HETATM   47  C   UNL     1     -20.144 -21.017  -8.516  1.00  0.00           C  
HETATM   48  C   UNL     1     -20.622 -21.917 -10.946  1.00  0.00           C  
HETATM   49  N   UNL     1     -17.908 -22.825 -10.917  1.00  0.00           N  
HETATM   50  O   UNL     1     -18.832 -16.192  -9.962  1.00  0.00           O  
HETATM   51  S   UNL     1     -19.735 -19.347  -8.512  1.00  0.00           S  
HETATM   52  H   UNL     1     -27.937  -9.095 -12.564  1.00  0.00           H  
HETATM   53  H   UNL     1     -29.913 -11.033 -15.806  1.00  0.00           H  
HETATM   54  H   UNL     1     -24.303 -12.089  -8.679  1.00  0.00           H  
HETATM   55  H   UNL     1     -26.670  -9.336 -10.925  1.00  0.00           H  
HETATM   56  H   UNL     1     -23.981 -12.510 -13.041  1.00  0.00           H  
HETATM   57  H   UNL     1     -25.223 -14.172 -17.502  1.00  0.00           H  
HETATM   58  H   UNL     1     -22.462 -12.141 -14.952  1.00  0.00           H  
HETATM   59  H   UNL     1     -23.071 -12.955 -17.232  1.00  0.00           H  
HETATM   60  H   UNL     1     -30.487 -16.551 -15.344  1.00  0.00           H  
HETATM   61  H   UNL     1     -27.095 -15.201 -17.590  1.00  0.00           H  
HETATM   62  H   UNL     1     -29.291 -16.354 -17.538  1.00  0.00           H  
HETATM   63  H   UNL     1     -29.464 -15.523 -13.356  1.00  0.00           H  
HETATM   64  H   UNL     1     -29.444  -8.943 -14.526  1.00  0.00           H  
HETATM   65  H   UNL     1     -28.884 -13.167 -15.130  1.00  0.00           H  
HETATM   66  H   UNL     1     -25.093  -9.727  -9.023  1.00  0.00           H  
HETATM   67  H   UNL     1     -25.040 -13.887 -10.188  1.00  0.00           H  
HETATM   68  H   UNL     1     -29.753 -17.934  -9.165  1.00  0.00           H  
HETATM   69  H   UNL     1     -29.909 -14.525 -11.837  1.00  0.00           H  
HETATM   70  H   UNL     1     -27.263 -17.926  -9.538  1.00  0.00           H  
HETATM   71  H   UNL     1     -31.006 -16.186 -10.446  1.00  0.00           H  
HETATM   72  H   UNL     1     -25.372 -17.914  -9.826  1.00  0.00           H  
HETATM   73  H   UNL     1     -22.902 -17.793 -10.283  1.00  0.00           H  
HETATM   74  H   UNL     1     -23.842 -14.442 -12.788  1.00  0.00           H  
HETATM   75  H   UNL     1     -21.439 -16.733 -12.551  1.00  0.00           H  
HETATM   76  H   UNL     1     -21.810 -14.987 -12.755  1.00  0.00           H  
HETATM   77  H   UNL     1     -18.478 -19.684 -10.410  1.00  0.00           H  
HETATM   78  H   UNL     1     -18.094 -18.138  -9.580  1.00  0.00           H  
HETATM   79  H   UNL     1     -17.801 -22.024  -8.988  1.00  0.00           H  
HETATM   80  H   UNL     1     -18.268 -23.505 -12.864  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.637 -22.739 -12.934  1.00  0.00           H  
HETATM   82  H   UNL     1     -20.505 -14.530 -10.830  1.00  0.00           H  
HETATM   83  H   UNL     1     -20.737 -18.411 -10.976  1.00  0.00           H  
HETATM   84  H   UNL     1     -19.245 -18.208 -11.956  1.00  0.00           H  
HETATM   85  H   UNL     1     -21.228 -21.109  -8.357  1.00  0.00           H  
HETATM   86  H   UNL     1     -19.609 -21.508  -7.690  1.00  0.00           H  
HETATM   87  H   UNL     1     -21.645 -21.572 -10.954  1.00  0.00           H  
CONECT    1   18   18   20   52                                       
CONECT    2   19   19   18   53                                       
CONECT    3   20   42   42    5                                       
CONECT    4   22   22   21   54                                       
CONECT    5    3   21   21   55                                       
CONECT    6    9    9    8   56                                       
CONECT    7   10   10   11   57                                       
CONECT    8   11   11    6   45                                       
CONECT    9   10    6    6   58                                       
CONECT   10    7    7    9   59                                       
CONECT   11    7   12    8    8                                       
CONECT   12   14   11   40   40                                       
CONECT   13   15   16   16   60                                       
CONECT   14   15   15   12   61                                       
CONECT   15   14   14   13   62                                       
CONECT   16   13   13   40   63                                       
CONECT   17   19   20   20   45                                       
CONECT   18    2    1    1   64                                       
CONECT   19    2    2   17   65                                       
CONECT   20   17   17    1    3                                       
CONECT   21    5    5    4   66                                       
CONECT   22   42    4    4   67                                       
CONECT   23   27   27   26   68                                       
CONECT   24   41   41   27   69                                       
CONECT   25   41   28   26   26                                       
CONECT   26   25   25   23   70                                       
CONECT   27   24   23   23   71                                       
CONECT   28   43   25   30   30                                       
CONECT   29   32   33   31   31                                       
CONECT   30   28   28   31   72                                       
CONECT   31   29   29   30   73                                       
CONECT   32   43   43   29   74                                       
CONECT   33   29   44   75   76                                       
CONECT   34   44   46   50   50                                       
CONECT   35   46   51   77   78                                       
CONECT   36   48   48   37   47                                       
CONECT   37   49   49   36   79                                       
CONECT   38   39   39   49   80                                       
CONECT   39   38   38   48   81                                       
CONECT   40   12   12   16   45                                       
CONECT   41   45   24   24   25                                       
CONECT   42   45    3    3   22                                       
CONECT   43   45   32   32   28                                       
CONECT   44   33   34   82                                            
CONECT   45   40    8   17   43                                       
CONECT   45   41   42                                                 
CONECT   46   34   35   83   84                                       
CONECT   47   36   51   85   86                                       
CONECT   48   39   36   36   87                                       
CONECT   49   38   37   37                                            
CONECT   50   34   34                                                 
CONECT   51   35   47                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   44                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
