COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.728 -40.774  79.291  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.463 -39.458  79.720  1.00  0.00           S  
HETATM    3  O   UNL     1       0.606 -38.902  78.943  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.063 -40.069  82.132  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.927 -38.450  79.509  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.021 -38.885  78.731  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.142 -38.054  78.583  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.191 -36.784  79.207  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.111 -36.326  79.987  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.989 -37.175  80.123  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.075 -39.461  81.196  1.00  0.00           N  
HETATM   12 IR   UNL     1       1.807 -39.404  81.743  1.00  0.00          Ir  
HETATM   13 CL   UNL     1       2.363 -40.934  80.070  1.00  0.00          Cl  
HETATM   14  C   UNL     1       1.438 -37.704  83.075  1.00  0.00           C  
HETATM   15  C   UNL     1       0.109 -37.400  83.670  1.00  0.00           C  
HETATM   16  C   UNL     1       1.820 -37.289  81.755  1.00  0.00           C  
HETATM   17  C   UNL     1       1.176 -36.424  80.725  1.00  0.00           C  
HETATM   18  C   UNL     1       3.145 -37.799  81.550  1.00  0.00           C  
HETATM   19  C   UNL     1       3.998 -37.625  80.327  1.00  0.00           C  
HETATM   20  C   UNL     1       3.531 -38.586  82.712  1.00  0.00           C  
HETATM   21  C   UNL     1       4.838 -39.272  82.927  1.00  0.00           C  
HETATM   22  C   UNL     1       2.421 -38.557  83.652  1.00  0.00           C  
HETATM   23  C   UNL     1       2.533 -39.214  84.987  1.00  0.00           C  
HETATM   24  N   UNL     1       0.992 -40.970  82.767  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.366 -41.090  82.797  1.00  0.00           C  
HETATM   26  C   UNL     1       1.787 -41.948  83.351  1.00  0.00           C  
HETATM   27  C   UNL     1       1.171 -42.979  84.058  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.223 -43.115  84.142  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.984 -42.132  83.476  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.824 -44.192  84.914  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.224 -44.345  85.041  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.819 -45.402  85.755  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.000 -46.383  86.314  1.00  0.00           C  
HETATM   34  S   UNL     1      -2.616 -47.792  87.126  1.00  0.00           S  
HETATM   35  N   UNL     1      -2.064 -49.131  86.452  1.00  0.00           N  
HETATM   36  O   UNL     1      -4.022 -47.695  87.048  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.169 -47.753  88.407  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.597 -46.303  86.192  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.027 -45.218  85.465  1.00  0.00           C  
HETATM   40  C   UNL     1       4.821 -40.587  82.305  1.00  0.00           C  
HETATM   41  C   UNL     1       6.014 -41.325  82.742  1.00  0.00           C  
HETATM   42  H   UNL     1      -1.425 -39.319  82.851  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.916 -40.485  81.575  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.996 -39.853  78.252  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.978 -38.387  77.986  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.064 -36.161  79.084  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.139 -35.358  80.465  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.150 -36.840  80.715  1.00  0.00           H  
HETATM   49  H   UNL     1       0.185 -36.500  84.298  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.621 -37.225  82.866  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.220 -38.250  84.286  1.00  0.00           H  
HETATM   52  H   UNL     1       1.339 -35.366  80.980  1.00  0.00           H  
HETATM   53  H   UNL     1       1.618 -36.636  79.740  1.00  0.00           H  
HETATM   54  H   UNL     1       0.096 -36.632  80.695  1.00  0.00           H  
HETATM   55  H   UNL     1       4.620 -36.724  80.438  1.00  0.00           H  
HETATM   56  H   UNL     1       4.646 -38.505  80.204  1.00  0.00           H  
HETATM   57  H   UNL     1       3.353 -37.518  79.442  1.00  0.00           H  
HETATM   58  H   UNL     1       5.643 -38.669  82.481  1.00  0.00           H  
HETATM   59  H   UNL     1       5.017 -39.382  84.007  1.00  0.00           H  
HETATM   60  H   UNL     1       2.875 -38.479  85.730  1.00  0.00           H  
HETATM   61  H   UNL     1       1.550 -39.607  85.286  1.00  0.00           H  
HETATM   62  H   UNL     1       3.256 -40.041  84.929  1.00  0.00           H  
HETATM   63  H   UNL     1       2.862 -41.910  83.259  1.00  0.00           H  
HETATM   64  H   UNL     1       1.793 -43.704  84.562  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.062 -42.190  83.494  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.866 -43.617  84.568  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.892 -45.453  85.868  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.432 -49.925  86.936  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.349 -49.164  85.494  1.00  0.00           H  
HETATM   70  H   UNL     1       0.036 -47.053  86.643  1.00  0.00           H  
HETATM   71  H   UNL     1       1.044 -45.180  85.332  1.00  0.00           H  
HETATM   72  H   UNL     1       3.915 -41.131  82.612  1.00  0.00           H  
HETATM   73  H   UNL     1       4.831 -40.480  81.210  1.00  0.00           H  
HETATM   74  H   UNL     1       6.018 -42.324  82.281  1.00  0.00           H  
HETATM   75  H   UNL     1       6.917 -40.776  82.436  1.00  0.00           H  
HETATM   76  H   UNL     1       6.001 -41.427  83.837  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    5   11                                                 
CONECT    3    2    2                                                 
CONECT    4   11   25   42   43                                       
CONECT    5    2    6    6   10                                       
CONECT    6    5    5    7   44                                       
CONECT    7    6    8    8   45                                       
CONECT    8    7    7    9   46                                       
CONECT    9    8   10   10   47                                       
CONECT   10    5    9    9   48                                       
CONECT   11    2    4   12                                            
CONECT   12   11   13   14   16                                       
CONECT   12   18   20   22   24                                       
CONECT   13   12                                                      
CONECT   14   12   15   16   22                                       
CONECT   15   14   49   50   51                                       
CONECT   16   12   14   17   18                                       
CONECT   17   16   52   53   54                                       
CONECT   18   12   16   19   20                                       
CONECT   19   18   55   56   57                                       
CONECT   20   12   18   21   22                                       
CONECT   21   20   40   58   59                                       
CONECT   22   12   14   20   23                                       
CONECT   23   22   60   61   62                                       
CONECT   24   12   25   25   26                                       
CONECT   25    4   24   24   29                                       
CONECT   26   24   27   27   63                                       
CONECT   27   26   26   28   64                                       
CONECT   28   27   29   29   30                                       
CONECT   29   25   28   28   65                                       
CONECT   30   28   31   31   39                                       
CONECT   31   30   30   32   66                                       
CONECT   32   31   33   33   67                                       
CONECT   33   32   32   34   38                                       
CONECT   34   33   35   36   36                                       
CONECT   34   37   37                                                 
CONECT   35   34   68   69                                            
CONECT   36   34   34                                                 
CONECT   37   34   34                                                 
CONECT   38   33   39   39   70                                       
CONECT   39   30   38   38   71                                       
CONECT   40   21   41   72   73                                       
CONECT   41   40   74   75   76                                       
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
