COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      17.098   8.491  10.400  1.00  0.00           N  
HETATM    2  C   UNL     1      15.951  10.047   9.019  1.00  0.00           C  
HETATM    3  N   UNL     1      15.779  -1.104  16.191  1.00  0.00           N  
HETATM    4  C   UNL     1      14.705   8.126   9.467  1.00  0.00           C  
HETATM    5  C   UNL     1      15.902   7.649  10.286  1.00  0.00           C  
HETATM    6  C   UNL     1      15.988   6.389  11.045  1.00  0.00           C  
HETATM    7  O   UNL     1      15.856   0.334  18.161  1.00  0.00           O  
HETATM    8  C   UNL     1      20.377   7.125  12.385  1.00  0.00           C  
HETATM    9  C   UNL     1      20.609   8.073  11.198  1.00  0.00           C  
HETATM   10  C   UNL     1      21.419   7.805   9.905  1.00  0.00           C  
HETATM   11  C   UNL     1      19.900   9.386  11.543  1.00  0.00           C  
HETATM   12  C   UNL     1      19.887  10.654  10.688  1.00  0.00           C  
HETATM   13  C   UNL     1      19.223   9.229  12.886  1.00  0.00           C  
HETATM   14  C   UNL     1      18.454  10.289  13.646  1.00  0.00           C  
HETATM   15  C   UNL     1      20.868   5.671  12.516  1.00  0.00           C  
HETATM   16  C   UNL     1      19.509   7.861  13.409  1.00  0.00           C  
HETATM   17  C   UNL     1      19.075   7.302  14.734  1.00  0.00           C  
HETATM   18 IR   UNL     1      18.560   7.738  11.539  1.00  0.00          Ir  
HETATM   19 CL   UNL     1      19.262   5.938  10.113  1.00  0.00          Cl  
HETATM   20  C   UNL     1      17.033   9.625   9.756  1.00  0.00           C  
HETATM   21  O   UNL     1      13.782   9.752   8.102  1.00  0.00           O  
HETATM   22  C   UNL     1      14.801   9.314   8.855  1.00  0.00           C  
HETATM   23  S   UNL     1      15.255   0.198  16.856  1.00  0.00           S  
HETATM   24  C   UNL     1      15.822   1.492  15.962  1.00  0.00           C  
HETATM   25  O   UNL     1      13.814   0.242  16.701  1.00  0.00           O  
HETATM   26  C   UNL     1      14.900   2.577  15.605  1.00  0.00           C  
HETATM   27  C   UNL     1      15.396   3.647  14.886  1.00  0.00           C  
HETATM   28  C   UNL     1      17.194   1.656  15.508  1.00  0.00           C  
HETATM   29  C   UNL     1      17.544   2.752  14.769  1.00  0.00           C  
HETATM   30  C   UNL     1      17.251   4.937  12.474  1.00  0.00           C  
HETATM   31  C   UNL     1      17.051   4.845  13.796  1.00  0.00           C  
HETATM   32  C   UNL     1      16.668   3.718  14.475  1.00  0.00           C  
HETATM   33  N   UNL     1      17.203   6.191  11.770  1.00  0.00           N  
HETATM   34  O   UNL     1      15.009   5.650  10.990  1.00  0.00           O  
HETATM   35  H   UNL     1      16.009  11.013   8.540  1.00  0.00           H  
HETATM   36  H   UNL     1      15.367  -1.206  15.286  1.00  0.00           H  
HETATM   37  H   UNL     1      16.774  -1.055  16.101  1.00  0.00           H  
HETATM   38  H   UNL     1      13.811   7.526   9.384  1.00  0.00           H  
HETATM   39  H   UNL     1      21.385   8.695   9.259  1.00  0.00           H  
HETATM   40  H   UNL     1      22.464   7.582  10.167  1.00  0.00           H  
HETATM   41  H   UNL     1      20.984   6.948   9.371  1.00  0.00           H  
HETATM   42  H   UNL     1      19.296  11.432  11.194  1.00  0.00           H  
HETATM   43  H   UNL     1      20.918  11.011  10.546  1.00  0.00           H  
HETATM   44  H   UNL     1      19.438  10.431   9.709  1.00  0.00           H  
HETATM   45  H   UNL     1      18.082   9.866  14.591  1.00  0.00           H  
HETATM   46  H   UNL     1      19.117  11.140  13.861  1.00  0.00           H  
HETATM   47  H   UNL     1      17.604  10.631  13.038  1.00  0.00           H  
HETATM   48  H   UNL     1      20.542   5.259  13.482  1.00  0.00           H  
HETATM   49  H   UNL     1      20.447   5.067  11.699  1.00  0.00           H  
HETATM   50  H   UNL     1      21.966   5.649  12.460  1.00  0.00           H  
HETATM   51  H   UNL     1      18.461   8.046  15.263  1.00  0.00           H  
HETATM   52  H   UNL     1      18.485   6.388  14.571  1.00  0.00           H  
HETATM   53  H   UNL     1      19.962   7.062  15.339  1.00  0.00           H  
HETATM   54  H   UNL     1      17.891  10.279   9.806  1.00  0.00           H  
HETATM   55  H   UNL     1      13.082   9.110   8.111  1.00  0.00           H  
HETATM   56  H   UNL     1      13.861   2.540  15.897  1.00  0.00           H  
HETATM   57  H   UNL     1      14.729   4.461  14.645  1.00  0.00           H  
HETATM   58  H   UNL     1      17.937   0.912  15.755  1.00  0.00           H  
HETATM   59  H   UNL     1      18.559   2.840  14.412  1.00  0.00           H  
HETATM   60  H   UNL     1      18.251   4.520  12.287  1.00  0.00           H  
HETATM   61  H   UNL     1      16.492   4.294  12.005  1.00  0.00           H  
HETATM   62  H   UNL     1      18.004   5.148  14.254  1.00  0.00           H  
HETATM   63  H   UNL     1      16.280   5.595  14.024  1.00  0.00           H  
CONECT    1    5    5   18   20                                       
CONECT    2   20   20   22   35                                       
CONECT    3   23   36   37                                            
CONECT    4    5   22   22   38                                       
CONECT    5    1    1    4    6                                       
CONECT    6    5   33   34   34                                       
CONECT    7   23   23                                                 
CONECT    8    9   15   16   18                                       
CONECT    9    8   10   11   18                                       
CONECT   10    9   39   40   41                                       
CONECT   11    9   12   13   18                                       
CONECT   12   11   42   43   44                                       
CONECT   13   11   14   16   18                                       
CONECT   14   13   45   46   47                                       
CONECT   15    8   48   49   50                                       
CONECT   16    8   13   17   18                                       
CONECT   17   16   51   52   53                                       
CONECT   18    1    8    9   11                                       
CONECT   18   13   16   33   19                                       
CONECT   19   18                                                      
CONECT   20    1    2    2   54                                       
CONECT   21   22   55                                                 
CONECT   22    2    4    4   21                                       
CONECT   23    3    7    7   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   26   26   28                                       
CONECT   25   23   23                                                 
CONECT   26   24   24   27   56                                       
CONECT   27   26   32   32   57                                       
CONECT   28   24   29   29   58                                       
CONECT   29   28   28   32   59                                       
CONECT   30   31   33   60   61                                       
CONECT   31   30   32   62   63                                       
CONECT   32   27   27   29   31                                       
CONECT   33    6   18   30                                            
CONECT   34    6    6                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
