COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.358  -2.080  -1.571  1.00  0.00           O  
HETATM    2  C   UNL     1      12.223  -1.143  -0.809  1.00  0.00           C  
HETATM    3  N   UNL     1      12.935  -0.012  -0.909  1.00  0.00           N  
HETATM    4  C   UNL     1      12.524   0.910   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1      11.984   2.210  -0.467  1.00  0.00           C  
HETATM    6  S   UNL     1      10.190   1.854  -0.653  1.00  0.00           S  
HETATM    7  N   UNL     1      11.345  -1.143   0.203  1.00  0.00           N  
HETATM    8  C   UNL     1      11.442   0.136   0.924  1.00  0.00           C  
HETATM    9  C   UNL     1      10.073   0.843   0.879  1.00  0.00           C  
HETATM   10  C   UNL     1       8.939  -0.178   0.770  1.00  0.00           C  
HETATM   11  C   UNL     1       7.596   0.555   0.721  1.00  0.00           C  
HETATM   12  C   UNL     1       6.462  -0.466   0.612  1.00  0.00           C  
HETATM   13  C   UNL     1       5.120   0.266   0.563  1.00  0.00           C  
HETATM   14  C   UNL     1       4.002  -0.739   0.456  1.00  0.00           C  
HETATM   15  O   UNL     1       4.255  -1.925   0.422  1.00  0.00           O  
HETATM   16  N   UNL     1       2.722  -0.321   0.398  1.00  0.00           N  
HETATM   17  C   UNL     1       1.636  -1.298   0.294  1.00  0.00           C  
HETATM   18  C   UNL     1       0.314  -0.577   0.246  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.220  -0.198  -0.973  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.430   0.463  -1.024  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.010   0.876  -2.352  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.116   0.749   0.158  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.572   0.363   1.384  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.306   0.667   2.664  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.364  -0.301   1.420  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.319   1.406   0.114  1.00  0.00           N1+
HETATM   27  C   UNL     1      -4.473   0.832   0.022  1.00  0.00           C  
HETATM   28 RU   UNL     1      -4.691  -1.143  -0.073  1.00  0.00          Ru  
HETATM   29  N   UNL     1      -5.529   1.692  -0.004  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.011   3.068   0.085  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.485   2.865   0.171  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.876   1.331  -0.098  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.617   1.101   1.054  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.970   1.240   2.408  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.948   0.744   0.957  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.542   0.616  -0.285  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.995   0.227  -0.387  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.807   0.845  -1.434  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.477   1.207  -1.344  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.679   1.462  -2.596  1.00  0.00           C  
HETATM   41 CL   UNL     1      -2.920  -2.449  -0.023  1.00  0.00          Cl  
HETATM   42 CL   UNL     1      -6.701  -2.023  -0.228  1.00  0.00          Cl  
HETATM   43  H   UNL     1      13.612   0.170  -1.579  1.00  0.00           H  
HETATM   44  H   UNL     1      13.369   1.130   0.815  1.00  0.00           H  
HETATM   45  H   UNL     1      12.143   3.057   0.201  1.00  0.00           H  
HETATM   46  H   UNL     1      12.446   2.390  -1.438  1.00  0.00           H  
HETATM   47  H   UNL     1      10.745  -1.872   0.427  1.00  0.00           H  
HETATM   48  H   UNL     1      11.752  -0.031   1.955  1.00  0.00           H  
HETATM   49  H   UNL     1       9.938   1.480   1.753  1.00  0.00           H  
HETATM   50  H   UNL     1       9.065  -0.766  -0.140  1.00  0.00           H  
HETATM   51  H   UNL     1       8.960  -0.839   1.636  1.00  0.00           H  
HETATM   52  H   UNL     1       7.470   1.142   1.630  1.00  0.00           H  
HETATM   53  H   UNL     1       7.574   1.216  -0.145  1.00  0.00           H  
HETATM   54  H   UNL     1       6.588  -1.054  -0.297  1.00  0.00           H  
HETATM   55  H   UNL     1       6.484  -1.128   1.478  1.00  0.00           H  
HETATM   56  H   UNL     1       4.993   0.854   1.472  1.00  0.00           H  
HETATM   57  H   UNL     1       5.098   0.928  -0.303  1.00  0.00           H  
HETATM   58  H   UNL     1       2.520   0.628   0.425  1.00  0.00           H  
HETATM   59  H   UNL     1       1.762  -1.886  -0.615  1.00  0.00           H  
HETATM   60  H   UNL     1       1.658  -1.959   1.160  1.00  0.00           H  
HETATM   61  H   UNL     1       0.312  -0.419  -1.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.639   0.074  -2.739  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.609   1.777  -2.223  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.202   1.074  -3.056  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.972  -0.161   2.907  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.586   0.803   3.472  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.890   1.579   2.541  1.00  0.00           H  
HETATM   68  H   UNL     1       0.056  -0.604   2.368  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.276   3.637  -0.806  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.097   3.257   1.112  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.082   2.266   2.760  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.450   0.560   3.111  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.911   0.996   2.331  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.525   0.565   1.852  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.612   1.125  -0.386  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.159  -0.325  -1.312  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.263  -0.400   0.463  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.274   0.745  -2.402  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.218   0.532  -2.929  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.338   1.840  -3.377  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.902   2.198  -2.388  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.381   3.562   0.983  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.989   3.340  -0.676  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   43                                            
CONECT    4    3    5    8   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    9                                                 
CONECT    7    2    8   47                                            
CONECT    8    4    7    9   48                                       
CONECT    9    6    8   10   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   58                                            
CONECT   17   16   18   59   60                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20   61                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   62   63   64                                       
CONECT   22   20   20   23   26                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   65   66   67                                       
CONECT   25   18   23   23   68                                       
CONECT   26   22   27   27   31                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   41   42                                            
CONECT   29   27   30   32                                            
CONECT   30   29   31   69   82                                       
CONECT   31   26   30   70   83                                       
CONECT   32   33   33   39   29                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   71   72   73                                       
CONECT   35   33   36   36   74                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   75   76   77                                       
CONECT   38   36   39   39   78                                       
CONECT   39   32   38   38   40                                       
CONECT   40   39   79   80   81                                       
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
