COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      15.731   0.285  18.067  1.00  0.00           O  
HETATM    2  C   UNL     1      21.177   8.021  12.669  1.00  0.00           C  
HETATM    3  C   UNL     1      21.253   9.044  11.549  1.00  0.00           C  
HETATM    4  C   UNL     1      22.028   8.919  10.235  1.00  0.00           C  
HETATM    5  C   UNL     1      20.425  10.245  11.956  1.00  0.00           C  
HETATM    6  C   UNL     1      20.245  11.516  11.124  1.00  0.00           C  
HETATM    7  C   UNL     1      19.833   9.975  13.326  1.00  0.00           C  
HETATM    8  C   UNL     1      18.939  10.928  14.107  1.00  0.00           C  
HETATM    9  C   UNL     1      21.875   6.664  12.627  1.00  0.00           C  
HETATM   10  C   UNL     1      20.290   8.597  13.778  1.00  0.00           C  
HETATM   11  C   UNL     1      19.918   7.923  15.096  1.00  0.00           C  
HETATM   12 IR   UNL     1      19.266   8.483  11.961  1.00  0.00          Ir  
HETATM   13 CL   UNL     1      19.705   7.058  10.033  1.00  0.00          Cl  
HETATM   14  N   UNL     1      17.649   8.966  10.943  1.00  0.00           N  
HETATM   15  C   UNL     1      17.325  10.108  10.480  1.00  0.00           C  
HETATM   16  C   UNL     1      16.196  10.335   9.787  1.00  0.00           C  
HETATM   17  C   UNL     1      16.760   7.837  10.705  1.00  0.00           C  
HETATM   18  O   UNL     1      14.209   9.678   8.810  1.00  0.00           O  
HETATM   19  C   UNL     1      15.297   9.370   9.507  1.00  0.00           C  
HETATM   20  C   UNL     1      15.499   8.118   9.924  1.00  0.00           C  
HETATM   21  S   UNL     1      15.260  -0.072  16.768  1.00  0.00           S  
HETATM   22  C   UNL     1      16.928   4.494  13.823  1.00  0.00           C  
HETATM   23  C   UNL     1      15.802   1.197  15.946  1.00  0.00           C  
HETATM   24  O   UNL     1      13.802   0.097  16.699  1.00  0.00           O  
HETATM   25  C   UNL     1      14.869   1.962  15.139  1.00  0.00           C  
HETATM   26  C   UNL     1      15.299   3.031  14.453  1.00  0.00           C  
HETATM   27  C   UNL     1      17.202   1.673  15.981  1.00  0.00           C  
HETATM   28  C   UNL     1      17.500   2.752  15.251  1.00  0.00           C  
HETATM   29  C   UNL     1      18.724   5.385  12.736  1.00  0.00           C  
HETATM   30  C   UNL     1      18.115   5.102  13.891  1.00  0.00           C  
HETATM   31  N   UNL     1      15.794  -1.447  16.156  1.00  0.00           N  
HETATM   32  C   UNL     1      16.586   3.419  14.524  1.00  0.00           C  
HETATM   33  N   UNL     1      18.479   6.580  11.989  1.00  0.00           N  
HETATM   34  C   UNL     1      17.231   6.536  11.286  1.00  0.00           C  
HETATM   35  O   UNL     1      16.562   5.518  11.144  1.00  0.00           O  
HETATM   36  H   UNL     1      21.882   9.829   9.634  1.00  0.00           H  
HETATM   37  H   UNL     1      23.099   8.791  10.452  1.00  0.00           H  
HETATM   38  H   UNL     1      21.661   8.047   9.674  1.00  0.00           H  
HETATM   39  H   UNL     1      19.594  12.219  11.664  1.00  0.00           H  
HETATM   40  H   UNL     1      21.226  11.983  10.952  1.00  0.00           H  
HETATM   41  H   UNL     1      19.786  11.260  10.158  1.00  0.00           H  
HETATM   42  H   UNL     1      18.661  10.467  15.066  1.00  0.00           H  
HETATM   43  H   UNL     1      19.480  11.867  14.295  1.00  0.00           H  
HETATM   44  H   UNL     1      18.030  11.138  13.524  1.00  0.00           H  
HETATM   45  H   UNL     1      21.664   6.114  13.556  1.00  0.00           H  
HETATM   46  H   UNL     1      21.504   6.088  11.767  1.00  0.00           H  
HETATM   47  H   UNL     1      22.960   6.813  12.528  1.00  0.00           H  
HETATM   48  H   UNL     1      19.268   8.591  15.679  1.00  0.00           H  
HETATM   49  H   UNL     1      19.386   6.983  14.889  1.00  0.00           H  
HETATM   50  H   UNL     1      20.832   7.709  15.669  1.00  0.00           H  
HETATM   51  H   UNL     1      17.993  10.938  10.654  1.00  0.00           H  
HETATM   52  H   UNL     1      16.000  11.338   9.438  1.00  0.00           H  
HETATM   53  H   UNL     1      13.676   8.900   8.694  1.00  0.00           H  
HETATM   54  H   UNL     1      14.786   7.335   9.710  1.00  0.00           H  
HETATM   55  H   UNL     1      16.188   5.264  14.085  1.00  0.00           H  
HETATM   56  H   UNL     1      16.803   4.209  12.768  1.00  0.00           H  
HETATM   57  H   UNL     1      13.830   1.671  15.091  1.00  0.00           H  
HETATM   58  H   UNL     1      14.606   3.586  13.838  1.00  0.00           H  
HETATM   59  H   UNL     1      17.952   1.169  16.572  1.00  0.00           H  
HETATM   60  H   UNL     1      18.521   3.104  15.245  1.00  0.00           H  
HETATM   61  H   UNL     1      19.802   5.383  12.955  1.00  0.00           H  
HETATM   62  H   UNL     1      18.486   4.552  12.058  1.00  0.00           H  
HETATM   63  H   UNL     1      17.971   6.050  14.430  1.00  0.00           H  
HETATM   64  H   UNL     1      18.788   4.451  14.469  1.00  0.00           H  
HETATM   65  H   UNL     1      15.396  -1.586  15.249  1.00  0.00           H  
HETATM   66  H   UNL     1      16.791  -1.413  16.081  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2    3    9   10   12                                       
CONECT    3    2    4    5   12                                       
CONECT    4    3   36   37   38                                       
CONECT    5    3    6    7   12                                       
CONECT    6    5   39   40   41                                       
CONECT    7    5    8   10   12                                       
CONECT    8    7   42   43   44                                       
CONECT    9    2   45   46   47                                       
CONECT   10    2    7   11   12                                       
CONECT   11   10   48   49   50                                       
CONECT   12    2    3    5    7                                       
CONECT   12   10   14   33                                            
CONECT   13   33                                                      
CONECT   14   12   15   15   17                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   19   19   52                                       
CONECT   17   14   20   20   34                                       
CONECT   18   19   53                                                 
CONECT   19   16   16   18   20                                       
CONECT   20   17   17   19   54                                       
CONECT   21    1    1   23   24                                       
CONECT   21   24   31                                                 
CONECT   22   30   32   55   56                                       
CONECT   23   21   25   25   27                                       
CONECT   24   21   21                                                 
CONECT   25   23   23   26   57                                       
CONECT   26   25   32   32   58                                       
CONECT   27   23   28   28   59                                       
CONECT   28   27   27   32   60                                       
CONECT   29   30   33   61   62                                       
CONECT   30   22   29   63   64                                       
CONECT   31   21   65   66                                            
CONECT   32   22   26   26   28                                       
CONECT   33   12   29   34   13                                       
CONECT   34   17   33   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
