COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -25.568 -13.166 -12.223  1.00  0.00           C  
HETATM    2  C   UNL     1     -28.594 -13.977  -9.948  1.00  0.00           C  
HETATM    3  C   UNL     1     -29.557 -12.416  -7.708  1.00  0.00           C  
HETATM    4  C   UNL     1     -28.092 -14.072  -8.634  1.00  0.00           C  
HETATM    5  C   UNL     1     -29.548 -13.059 -10.061  1.00  0.00           C  
HETATM    6  C   UNL     1     -29.064 -17.001 -12.950  1.00  0.00           C  
HETATM    7  C   UNL     1     -27.505 -16.366 -15.210  1.00  0.00           C  
HETATM    8  C   UNL     1     -28.154 -15.957 -12.955  1.00  0.00           C  
HETATM    9  C   UNL     1     -29.270 -17.683 -14.133  1.00  0.00           C  
HETATM   10  C   UNL     1     -28.498 -17.362 -15.262  1.00  0.00           C  
HETATM   11  C   UNL     1     -27.303 -15.693 -13.998  1.00  0.00           C  
HETATM   12  C   UNL     1     -24.703 -12.723 -13.257  1.00  0.00           C  
HETATM   13  C   UNL     1     -25.622 -14.253 -14.761  1.00  0.00           C  
HETATM   14  C   UNL     1     -30.051 -12.267  -9.004  1.00  0.00           C  
HETATM   15  C   UNL     1     -28.566 -13.358  -7.526  1.00  0.00           C  
HETATM   16  C   UNL     1     -29.896 -13.067 -11.408  1.00  0.00           C  
HETATM   17  C   UNL     1     -30.857 -12.737 -13.766  1.00  0.00           C  
HETATM   18  C   UNL     1     -30.877 -12.116 -11.597  1.00  0.00           C  
HETATM   19  C   UNL     1     -29.828 -13.693 -13.501  1.00  0.00           C  
HETATM   20  C   UNL     1     -28.538 -18.338  -7.952  1.00  0.00           C  
HETATM   21  C   UNL     1     -29.341 -16.486  -9.239  1.00  0.00           C  
HETATM   22  C   UNL     1     -27.260 -17.247  -9.702  1.00  0.00           C  
HETATM   23  C   UNL     1     -27.375 -18.243  -8.722  1.00  0.00           C  
HETATM   24  C   UNL     1     -26.075 -17.115 -10.518  1.00  0.00           C  
HETATM   25  C   UNL     1     -23.844 -16.964 -11.984  1.00  0.00           C  
HETATM   26  C   UNL     1     -23.856 -17.971 -11.034  1.00  0.00           C  
HETATM   27  C   UNL     1     -24.924 -16.101 -12.097  1.00  0.00           C  
HETATM   28  C   UNL     1     -22.756 -16.755 -12.821  1.00  0.00           C  
HETATM   29  C   UNL     1     -24.460 -11.505 -10.840  1.00  0.00           C  
HETATM   30  C   UNL     1     -23.627 -11.082 -11.873  1.00  0.00           C  
HETATM   31  C   UNL     1     -23.758 -11.708 -13.103  1.00  0.00           C  
HETATM   32  C   UNL     1     -30.130 -14.067 -16.027  1.00  0.00           C  
HETATM   33  C   UNL     1     -31.113 -13.111 -16.171  1.00  0.00           C  
HETATM   34  C   UNL     1     -20.527 -16.903 -11.254  1.00  0.00           C  
HETATM   35  C   UNL     1     -20.369 -18.331 -10.673  1.00  0.00           C  
HETATM   36  C   UNL     1     -19.087 -18.774  -9.924  1.00  0.00           C  
HETATM   37  C   UNL     1     -19.748 -21.535  -9.181  1.00  0.00           C  
HETATM   38  C   UNL     1     -19.348 -22.107 -10.560  1.00  0.00           C  
HETATM   39  C   UNL     1     -20.120 -22.303 -11.711  1.00  0.00           C  
HETATM   40  C   UNL     1     -17.996 -22.471 -10.586  1.00  0.00           C  
HETATM   41  C   UNL     1     -18.158 -23.194 -12.809  1.00  0.00           C  
HETATM   42  C   UNL     1     -19.515 -22.852 -12.849  1.00  0.00           C  
HETATM   43  C   UNL     1     -26.473 -14.637 -13.722  1.00  0.00           C  
HETATM   44  C   UNL     1     -24.711 -13.247 -14.540  1.00  0.00           C  
HETATM   45  C   UNL     1     -31.427 -11.917 -12.818  1.00  0.00           C  
HETATM   46  C   UNL     1     -29.550 -17.408  -8.209  1.00  0.00           C  
HETATM   47  C   UNL     1     -25.031 -18.015 -10.307  1.00  0.00           C  
HETATM   48  C   UNL     1     -25.405 -12.524 -11.002  1.00  0.00           C  
HETATM   49  C   UNL     1     -29.589 -14.264 -14.755  1.00  0.00           C  
HETATM   50  C   UNL     1     -31.464 -12.459 -15.004  1.00  0.00           C  
HETATM   51  N   UNL     1     -26.379 -14.229 -12.405  1.00  0.00           N  
HETATM   52  N   UNL     1     -28.174 -16.324  -9.905  1.00  0.00           N  
HETATM   53  N   UNL     1     -29.306 -13.993 -12.206  1.00  0.00           N  
HETATM   54  N   UNL     1     -26.120 -16.162 -11.455  1.00  0.00           N  
HETATM   55  N   UNL     1     -21.483 -16.222 -12.149  1.00  0.00           N  
HETATM   56  N   UNL     1     -17.441 -22.997 -11.692  1.00  0.00           N  
HETATM   57  O   UNL     1     -19.688 -16.098 -10.947  1.00  0.00           O  
HETATM   58  S   UNL     1     -19.239 -19.964  -8.692  1.00  0.00           S  
HETATM   59 IR   UNL     1     -27.782 -15.073 -11.352  1.00  0.00          Ir  
HETATM   60  H   UNL     1     -29.932 -11.823  -6.887  1.00  0.00           H  
HETATM   61  H   UNL     1     -27.271 -14.754  -8.467  1.00  0.00           H  
HETATM   62  H   UNL     1     -29.595 -17.273 -12.050  1.00  0.00           H  
HETATM   63  H   UNL     1     -26.914 -16.127 -16.082  1.00  0.00           H  
HETATM   64  H   UNL     1     -30.020 -18.458 -14.190  1.00  0.00           H  
HETATM   65  H   UNL     1     -28.670 -17.890 -16.188  1.00  0.00           H  
HETATM   66  H   UNL     1     -25.679 -14.739 -15.724  1.00  0.00           H  
HETATM   67  H   UNL     1     -30.825 -11.540  -9.201  1.00  0.00           H  
HETATM   68  H   UNL     1     -28.161 -13.543  -6.542  1.00  0.00           H  
HETATM   69  H   UNL     1     -31.211 -11.522 -10.759  1.00  0.00           H  
HETATM   70  H   UNL     1     -28.650 -19.097  -7.192  1.00  0.00           H  
HETATM   71  H   UNL     1     -30.171 -15.857  -9.524  1.00  0.00           H  
HETATM   72  H   UNL     1     -26.564 -18.938  -8.562  1.00  0.00           H  
HETATM   73  H   UNL     1     -23.032 -18.652 -10.877  1.00  0.00           H  
HETATM   74  H   UNL     1     -24.798 -15.276 -12.782  1.00  0.00           H  
HETATM   75  H   UNL     1     -23.058 -16.031 -13.592  1.00  0.00           H  
HETATM   76  H   UNL     1     -22.508 -17.715 -13.297  1.00  0.00           H  
HETATM   77  H   UNL     1     -24.373 -11.027  -9.875  1.00  0.00           H  
HETATM   78  H   UNL     1     -22.904 -10.294 -11.721  1.00  0.00           H  
HETATM   79  H   UNL     1     -23.135 -11.413 -13.934  1.00  0.00           H  
HETATM   80  H   UNL     1     -29.789 -14.646 -16.872  1.00  0.00           H  
HETATM   81  H   UNL     1     -31.573 -12.889 -17.122  1.00  0.00           H  
HETATM   82  H   UNL     1     -21.202 -18.471  -9.968  1.00  0.00           H  
HETATM   83  H   UNL     1     -20.486 -19.023 -11.520  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.389 -19.170 -10.677  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.654 -17.876  -9.459  1.00  0.00           H  
HETATM   86  H   UNL     1     -20.848 -21.531  -9.151  1.00  0.00           H  
HETATM   87  H   UNL     1     -19.363 -22.237  -8.427  1.00  0.00           H  
HETATM   88  H   UNL     1     -21.166 -22.035 -11.722  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.390 -22.327  -9.704  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.685 -23.619 -13.682  1.00  0.00           H  
HETATM   91  H   UNL     1     -20.090 -23.010 -13.749  1.00  0.00           H  
HETATM   92  H   UNL     1     -24.047 -12.890 -15.313  1.00  0.00           H  
HETATM   93  H   UNL     1     -32.213 -11.205 -13.023  1.00  0.00           H  
HETATM   94  H   UNL     1     -30.462 -17.402  -7.631  1.00  0.00           H  
HETATM   95  H   UNL     1     -25.145 -18.774  -9.548  1.00  0.00           H  
HETATM   96  H   UNL     1     -26.019 -12.817 -10.163  1.00  0.00           H  
HETATM   97  H   UNL     1     -28.819 -15.021 -14.735  1.00  0.00           H  
HETATM   98  H   UNL     1     -32.236 -11.705 -15.044  1.00  0.00           H  
HETATM   99  H   UNL     1     -21.268 -15.266 -12.348  1.00  0.00           H  
CONECT    1   12   12   51   48                                       
CONECT    2   59    5    5    4                                       
CONECT    3   14   14   15   60                                       
CONECT    4    2   15   15   61                                       
CONECT    5   16    2    2   14                                       
CONECT    6    9    9    8   62                                       
CONECT    7   10   10   11   63                                       
CONECT    8   11   11    6   59                                       
CONECT    9   10    6    6   64                                       
CONECT   10    7    7    9   65                                       
CONECT   11    7   43    8    8                                       
CONECT   12   44   31    1    1                                       
CONECT   13   44   44   43   66                                       
CONECT   14    5    3    3   67                                       
CONECT   15    4    4    3   68                                       
CONECT   16   53   53   18    5                                       
CONECT   17   50   19   19   45                                       
CONECT   18   45   45   16   69                                       
CONECT   19   49   17   17   53                                       
CONECT   20   23   23   46   70                                       
CONECT   21   52   46   46   71                                       
CONECT   22   24   52   52   23                                       
CONECT   23   22   20   20   72                                       
CONECT   24   54   54   47   22                                       
CONECT   25   28   27   27   26                                       
CONECT   26   25   47   47   73                                       
CONECT   27   25   25   54   74                                       
CONECT   28   55   25   75   76                                       
CONECT   29   30   48   48   77                                       
CONECT   30   31   31   29   78                                       
CONECT   31   12   30   30   79                                       
CONECT   32   33   49   49   80                                       
CONECT   33   32   50   50   81                                       
CONECT   34   55   57   57   35                                       
CONECT   35   34   36   82   83                                       
CONECT   36   35   58   84   85                                       
CONECT   37   38   58   86   87                                       
CONECT   38   39   39   40   37                                       
CONECT   39   42   38   38   88                                       
CONECT   40   56   56   38   89                                       
CONECT   41   42   42   56   90                                       
CONECT   42   41   41   39   91                                       
CONECT   43   13   11   51   51                                       
CONECT   44   13   13   12   92                                       
CONECT   45   17   18   18   93                                       
CONECT   46   21   21   20   94                                       
CONECT   47   26   26   24   95                                       
CONECT   48    1   29   29   96                                       
CONECT   49   32   32   19   97                                       
CONECT   50   33   33   17   98                                       
CONECT   51   43   43    1   59                                       
CONECT   52   59   22   22   21                                       
CONECT   53   19   16   16   59                                       
CONECT   54   27   59   24   24                                       
CONECT   55   28   34   99                                            
CONECT   56   41   40   40                                            
CONECT   57   34   34                                                 
CONECT   58   36   37                                                 
CONECT   59    8   51   53   54                                       
CONECT   59    2   52                                                 
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   55                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
