COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      15.685   0.181  18.181  1.00  0.00           O  
HETATM    2  C   UNL     1      19.993   7.261  12.329  1.00  0.00           C  
HETATM    3  C   UNL     1      20.469   7.695  10.976  1.00  0.00           C  
HETATM    4  C   UNL     1      21.502   6.996  10.073  1.00  0.00           C  
HETATM    5  C   UNL     1      19.812   8.977  10.675  1.00  0.00           C  
HETATM    6  C   UNL     1      20.036   9.770   9.359  1.00  0.00           C  
HETATM    7  C   UNL     1      18.926   9.362  11.812  1.00  0.00           C  
HETATM    8  C   UNL     1      18.032  10.588  11.829  1.00  0.00           C  
HETATM    9  C   UNL     1      20.511   6.006  12.973  1.00  0.00           C  
HETATM   10  C   UNL     1      19.002   8.254  12.830  1.00  0.00           C  
HETATM   11  C   UNL     1      18.315   8.249  14.202  1.00  0.00           C  
HETATM   12 IR   UNL     1      18.348   7.478  11.071  1.00  0.00          Ir  
HETATM   13 CL   UNL     1      18.497   5.851   9.351  1.00  0.00          Cl  
HETATM   14  N   UNL     1      16.741   8.012  10.075  1.00  0.00           N1+
HETATM   15  C   UNL     1      16.634   8.974   9.178  1.00  0.00           C  
HETATM   16  C   UNL     1      15.499   9.359   8.507  1.00  0.00           C  
HETATM   17  C   UNL     1      15.472   7.307  10.265  1.00  0.00           C  
HETATM   18  N   UNL     1      13.058   9.010   8.000  1.00  0.00           N1+
HETATM   19  O   UNL     1      12.894  10.096   7.449  1.00  0.00           O1-
HETATM   20  O   UNL     1      12.103   7.900   8.114  1.00  0.00           O  
HETATM   21  C   UNL     1      14.327   8.703   8.699  1.00  0.00           C  
HETATM   22  C   UNL     1      14.233   7.674   9.538  1.00  0.00           C  
HETATM   23  S   UNL     1      15.135   0.028  16.833  1.00  0.00           S  
HETATM   24  C   UNL     1      15.582   1.391  15.989  1.00  0.00           C  
HETATM   25  O   UNL     1      13.727   0.008  16.769  1.00  0.00           O  
HETATM   26  C   UNL     1      14.715   2.523  15.740  1.00  0.00           C  
HETATM   27  C   UNL     1      15.156   3.627  15.099  1.00  0.00           C  
HETATM   28  C   UNL     1      16.967   1.564  15.515  1.00  0.00           C  
HETATM   29  C   UNL     1      17.322   2.720  14.819  1.00  0.00           C  
HETATM   30  C   UNL     1      16.970   4.845  12.533  1.00  0.00           C  
HETATM   31  C   UNL     1      16.844   4.930  13.908  1.00  0.00           C  
HETATM   32  N   UNL     1      15.724  -1.160  16.109  1.00  0.00           N  
HETATM   33  C   UNL     1      16.432   3.745  14.601  1.00  0.00           C  
HETATM   34  N   UNL     1      16.902   6.120  11.737  1.00  0.00           N  
HETATM   35  C   UNL     1      15.629   6.248  11.239  1.00  0.00           C  
HETATM   36  O   UNL     1      14.704   5.533  11.579  1.00  0.00           O  
HETATM   37  H   UNL     1      21.627   7.572   9.144  1.00  0.00           H  
HETATM   38  H   UNL     1      22.466   6.934  10.599  1.00  0.00           H  
HETATM   39  H   UNL     1      21.151   5.982   9.831  1.00  0.00           H  
HETATM   40  H   UNL     1      19.434  10.690   9.378  1.00  0.00           H  
HETATM   41  H   UNL     1      21.101  10.031   9.265  1.00  0.00           H  
HETATM   42  H   UNL     1      19.733   9.151   8.502  1.00  0.00           H  
HETATM   43  H   UNL     1      17.489  10.633  12.784  1.00  0.00           H  
HETATM   44  H   UNL     1      18.648  11.492  11.715  1.00  0.00           H  
HETATM   45  H   UNL     1      17.312  10.528  11.000  1.00  0.00           H  
HETATM   46  H   UNL     1      20.035   5.874  13.956  1.00  0.00           H  
HETATM   47  H   UNL     1      20.277   5.142  12.333  1.00  0.00           H  
HETATM   48  H   UNL     1      21.601   6.083  13.101  1.00  0.00           H  
HETATM   49  H   UNL     1      17.636   9.111  14.276  1.00  0.00           H  
HETATM   50  H   UNL     1      17.740   7.319  14.321  1.00  0.00           H  
HETATM   51  H   UNL     1      19.076   8.313  14.993  1.00  0.00           H  
HETATM   52  H   UNL     1      17.538   9.518   8.946  1.00  0.00           H  
HETATM   53  H   UNL     1      15.540  10.191   7.820  1.00  0.00           H  
HETATM   54  H   UNL     1      13.307   7.137   9.681  1.00  0.00           H  
HETATM   55  H   UNL     1      13.689   2.484  16.075  1.00  0.00           H  
HETATM   56  H   UNL     1      14.475   4.455  14.972  1.00  0.00           H  
HETATM   57  H   UNL     1      17.705   0.799  15.706  1.00  0.00           H  
HETATM   58  H   UNL     1      18.329   2.813  14.439  1.00  0.00           H  
HETATM   59  H   UNL     1      17.944   4.379  12.322  1.00  0.00           H  
HETATM   60  H   UNL     1      16.164   4.190  12.171  1.00  0.00           H  
HETATM   61  H   UNL     1      17.823   5.227  14.313  1.00  0.00           H  
HETATM   62  H   UNL     1      16.104   5.715  14.125  1.00  0.00           H  
HETATM   63  H   UNL     1      15.322  -1.227  15.196  1.00  0.00           H  
HETATM   64  H   UNL     1      16.714  -1.044  16.030  1.00  0.00           H  
CONECT    1   23   23                                                 
CONECT    2    3    9   10   12                                       
CONECT    3    2    4    5   12                                       
CONECT    4    3   37   38   39                                       
CONECT    5    3    6    7   12                                       
CONECT    6    5   40   41   42                                       
CONECT    7    5    8   10   12                                       
CONECT    8    7   43   44   45                                       
CONECT    9    2   46   47   48                                       
CONECT   10    2    7   11   12                                       
CONECT   11   10   49   50   51                                       
CONECT   12    2    3    5    7                                       
CONECT   12   10   13   14   34                                       
CONECT   13   12                                                      
CONECT   14   12   15   15   17                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   21   21   53                                       
CONECT   17   14   22   22   35                                       
CONECT   18   19   20   20   21                                       
CONECT   19   18                                                      
CONECT   20   18   18                                                 
CONECT   21   16   16   18   22                                       
CONECT   22   17   17   21   54                                       
CONECT   23    1    1   24   25                                       
CONECT   23   25   32                                                 
CONECT   24   23   26   26   28                                       
CONECT   25   23   23                                                 
CONECT   26   24   24   27   55                                       
CONECT   27   26   33   33   56                                       
CONECT   28   24   29   29   57                                       
CONECT   29   28   28   33   58                                       
CONECT   30   31   34   59   60                                       
CONECT   31   30   33   61   62                                       
CONECT   32   23   63   64                                            
CONECT   33   27   27   29   31                                       
CONECT   34   12   30   35                                            
CONECT   35   17   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
