COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.127  11.359  20.294  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.374   1.841  20.787  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.722   1.776  22.136  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.443   2.920  23.096  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.425   0.343  22.418  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.821  -0.232  23.695  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.883  -0.441  21.255  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.793  -1.937  21.176  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.894   3.099  20.094  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.457   0.472  20.234  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.091   0.090  18.882  1.00  0.00           C  
HETATM   12 IR   UNL     1      -3.381   0.996  20.647  1.00  0.00          Ir  
HETATM   13 CL   UNL     1      -2.641   0.254  18.437  1.00  0.00          Cl  
HETATM   14  N   UNL     1      -1.590   0.244  21.027  1.00  0.00           N1+
HETATM   15  C   UNL     1      -1.256  -0.923  21.447  1.00  0.00           C  
HETATM   16  C   UNL     1       0.035  -1.264  21.607  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.576   1.181  20.742  1.00  0.00           C  
HETATM   18  N   UNL     1       2.518  -0.867  21.549  1.00  0.00           N  
HETATM   19  C   UNL     1       1.085  -0.441  21.346  1.00  0.00           C  
HETATM   20  C   UNL     1       0.848   0.798  20.925  1.00  0.00           C  
HETATM   21  S   UNL     1      -0.627  10.415  19.330  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.224   8.906  19.669  1.00  0.00           C  
HETATM   23  O   UNL     1       0.791  10.274  19.258  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.382   7.830  20.158  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.933   6.612  20.455  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.630   8.545  19.520  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.066   7.297  19.769  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.643   4.051  19.662  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.785   5.101  20.515  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.028  10.944  18.020  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.248   6.335  20.239  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.380   2.756  20.177  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.003   2.507  20.259  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.098   3.304  20.030  1.00  0.00           O  
HETATM   35  H   UNL     1      -3.952   2.530  24.000  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.784   3.654  22.610  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.391   3.405  23.374  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.725  -1.323  23.597  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.827   0.210  23.862  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.475   0.003  24.548  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.198  -2.279  20.212  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.741  -2.246  21.261  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.374  -2.383  21.997  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.319   2.830  19.116  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.672   3.565  20.716  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.065   3.808  19.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.009  -0.997  18.732  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.152   0.382  18.879  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.565   0.613  18.070  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.027  -1.644  21.676  1.00  0.00           H  
HETATM   51  H   UNL     1       0.252  -2.259  21.967  1.00  0.00           H  
HETATM   52  H   UNL     1       3.128  -0.115  21.299  1.00  0.00           H  
HETATM   53  H   UNL     1       2.661  -1.107  22.509  1.00  0.00           H  
HETATM   54  H   UNL     1       1.651   1.492  20.726  1.00  0.00           H  
HETATM   55  H   UNL     1       0.678   7.990  20.288  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.301   5.844  20.876  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.337   9.297  19.202  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.103   7.059  19.587  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.577   3.981  19.085  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.812   4.300  18.986  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.867   5.255  20.638  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.349   4.782  21.473  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.708  10.329  17.299  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.025  11.014  17.980  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2    3    9   10   12                                       
CONECT    3    2    4    5   12                                       
CONECT    4    3   35   36   37                                       
CONECT    5    3    6    7   12                                       
CONECT    6    5   38   39   40                                       
CONECT    7    5    8   10   12                                       
CONECT    8    7   41   42   43                                       
CONECT    9    2   44   45   46                                       
CONECT   10    2    7   11   12                                       
CONECT   11   10   47   48   49                                       
CONECT   12    2    3    5    7                                       
CONECT   12   10   14   32   13                                       
CONECT   13   12                                                      
CONECT   14   12   15   15   17                                       
CONECT   15   14   14   16   50                                       
CONECT   16   15   19   19   51                                       
CONECT   17   14   20   20   33                                       
CONECT   18   19   52   53                                            
CONECT   19   16   16   18   20                                       
CONECT   20   17   17   19   54                                       
CONECT   21    1    1   22   23                                       
CONECT   21   23   30                                                 
CONECT   22   21   24   24   26                                       
CONECT   23   21   21                                                 
CONECT   24   22   22   25   55                                       
CONECT   25   24   31   31   56                                       
CONECT   26   22   27   27   57                                       
CONECT   27   26   26   31   58                                       
CONECT   28   29   32   59   60                                       
CONECT   29   28   31   61   62                                       
CONECT   30   21   63   64                                            
CONECT   31   25   25   27   29                                       
CONECT   32   12   28   33                                            
CONECT   33   17   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
