COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      18.619   2.529  -0.101  1.00  0.00           C  
HETATM    2  N   UNL     1      18.760   1.071  -0.107  1.00  0.00           N  
HETATM    3  C   UNL     1      20.093   0.464  -0.112  1.00  0.00           C  
HETATM    4  C   UNL     1      17.623   0.259  -0.109  1.00  0.00           C  
HETATM    5  C   UNL     1      16.360   0.833  -0.105  1.00  0.00           C  
HETATM    6  C   UNL     1      15.234   0.024  -0.107  1.00  0.00           C  
HETATM    7  C   UNL     1      15.373  -1.356  -0.113  1.00  0.00           C  
HETATM    8  C   UNL     1      16.632  -1.926  -0.118  1.00  0.00           C  
HETATM    9  C   UNL     1      17.756  -1.124  -0.122  1.00  0.00           C  
HETATM   10  O   UNL     1      13.995   0.583  -0.102  1.00  0.00           O  
HETATM   11  C   UNL     1      12.880  -0.311  -0.104  1.00  0.00           C  
HETATM   12  C   UNL     1      11.580   0.496  -0.098  1.00  0.00           C  
HETATM   13  C   UNL     1      10.386  -0.461  -0.101  1.00  0.00           C  
HETATM   14  C   UNL     1       9.086   0.345  -0.095  1.00  0.00           C  
HETATM   15  C   UNL     1       7.892  -0.612  -0.097  1.00  0.00           C  
HETATM   16  C   UNL     1       6.592   0.195  -0.091  1.00  0.00           C  
HETATM   17  C   UNL     1       5.398  -0.762  -0.094  1.00  0.00           C  
HETATM   18  C   UNL     1       4.098   0.044  -0.088  1.00  0.00           C  
HETATM   19  C   UNL     1       2.904  -0.913  -0.090  1.00  0.00           C  
HETATM   20  C   UNL     1       1.604  -0.106  -0.084  1.00  0.00           C  
HETATM   21  C   UNL     1       0.410  -1.063  -0.087  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.870  -0.269  -0.081  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.458   0.224   1.208  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.800  -0.365   2.415  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.967   0.019   1.031  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.677  -0.511   1.979  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.020  -1.019   3.205  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.558  -0.950   3.347  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.800  -1.528   4.201  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.202  -1.484   4.060  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.791  -0.966   2.965  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.068  -0.558   1.868  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.599   0.347  -0.193  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.761   0.784  -1.309  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.462  -0.004  -1.229  1.00  0.00           C  
HETATM   36 RU   UNL     1      -5.592   0.069   0.000  1.00  0.00          Ru  
HETATM   37  N   UNL     1      -7.610  -0.512   0.141  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.222  -0.620   1.442  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.705  -0.987   1.268  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.087  -1.355  -0.135  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.792  -1.827  -0.522  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.208  -1.770  -1.032  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.713  -2.101  -1.542  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.758  -3.553  -2.022  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.541  -3.831  -2.910  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.257  -3.553  -2.123  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.271  -2.088  -1.654  1.00  0.00           C  
HETATM   48  N   UNL     1      -5.436  -1.881  -0.813  1.00  0.00           N  
HETATM   49  N   UNL     1      -6.091   1.025  -1.810  1.00  0.00           N  
HETATM   50  C   UNL     1      -5.147   0.965  -2.906  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.877   1.482  -4.165  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.402   2.901  -3.943  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.370   2.449  -1.530  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.254   2.963  -2.661  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.909   2.639  -0.130  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.040   4.119   0.225  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.422   4.250   1.703  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.368   3.554   2.571  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.273   2.077   2.150  1.00  0.00           C  
HETATM   60  N   UNL     1      -5.878   2.029   0.751  1.00  0.00           N  
HETATM   61  H   UNL     1      19.607   2.990  -0.100  1.00  0.00           H  
HETATM   62  H   UNL     1      18.071   2.845  -0.988  1.00  0.00           H  
HETATM   63  H   UNL     1      18.074   2.837   0.792  1.00  0.00           H  
HETATM   64  H   UNL     1      20.426   0.309   0.914  1.00  0.00           H  
HETATM   65  H   UNL     1      20.055  -0.494  -0.630  1.00  0.00           H  
HETATM   66  H   UNL     1      20.792   1.126  -0.624  1.00  0.00           H  
HETATM   67  H   UNL     1      16.253   1.908  -0.100  1.00  0.00           H  
HETATM   68  H   UNL     1      14.495  -1.987  -0.115  1.00  0.00           H  
HETATM   69  H   UNL     1      16.737  -3.001  -0.122  1.00  0.00           H  
HETATM   70  H   UNL     1      18.739  -1.572  -0.130  1.00  0.00           H  
HETATM   71  H   UNL     1      12.917  -0.934  -0.998  1.00  0.00           H  
HETATM   72  H   UNL     1      12.920  -0.943   0.782  1.00  0.00           H  
HETATM   73  H   UNL     1      11.544   1.120   0.795  1.00  0.00           H  
HETATM   74  H   UNL     1      11.541   1.128  -0.985  1.00  0.00           H  
HETATM   75  H   UNL     1      10.423  -1.085  -0.994  1.00  0.00           H  
HETATM   76  H   UNL     1      10.426  -1.094   0.786  1.00  0.00           H  
HETATM   77  H   UNL     1       9.050   0.969   0.798  1.00  0.00           H  
HETATM   78  H   UNL     1       9.047   0.978  -0.982  1.00  0.00           H  
HETATM   79  H   UNL     1       7.929  -1.235  -0.990  1.00  0.00           H  
HETATM   80  H   UNL     1       7.932  -1.244   0.789  1.00  0.00           H  
HETATM   81  H   UNL     1       6.556   0.819   0.802  1.00  0.00           H  
HETATM   82  H   UNL     1       6.553   0.827  -0.978  1.00  0.00           H  
HETATM   83  H   UNL     1       5.435  -1.386  -0.987  1.00  0.00           H  
HETATM   84  H   UNL     1       5.438  -1.395   0.793  1.00  0.00           H  
HETATM   85  H   UNL     1       4.062   0.668   0.805  1.00  0.00           H  
HETATM   86  H   UNL     1       4.059   0.677  -0.975  1.00  0.00           H  
HETATM   87  H   UNL     1       2.941  -1.536  -0.983  1.00  0.00           H  
HETATM   88  H   UNL     1       2.944  -1.545   0.797  1.00  0.00           H  
HETATM   89  H   UNL     1       1.568   0.518   0.809  1.00  0.00           H  
HETATM   90  H   UNL     1       1.565   0.526  -0.971  1.00  0.00           H  
HETATM   91  H   UNL     1       0.447  -1.687  -0.980  1.00  0.00           H  
HETATM   92  H   UNL     1       0.450  -1.696   0.800  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.284   1.303   1.243  1.00  0.00           H  
HETATM   94  H   UNL     1       0.268  -0.308   2.554  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.088  -1.382   4.220  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.352  -1.958   5.084  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.828  -1.874   4.853  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.852  -0.785   3.032  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.223   0.525  -2.258  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.554   1.844  -1.245  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.000  -0.358  -2.142  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.776  -1.487   1.953  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.135   0.269   2.033  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.926  -1.836   1.925  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.305  -0.131   1.582  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.128  -1.266  -0.427  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.747  -2.611   0.250  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.481  -2.047  -2.025  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.802  -1.425  -2.387  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.741  -4.218  -1.159  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.674  -3.717  -2.588  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.552  -4.872  -3.232  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.574  -3.185  -3.788  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.204  -4.214  -1.263  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.395  -3.713  -2.768  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.359  -1.883  -1.095  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.303  -1.457  -2.538  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.324   1.662  -2.709  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.787  -0.029  -3.092  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.179   1.484  -5.004  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.712   0.818  -4.385  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.558   3.588  -3.847  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.013   3.198  -4.795  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.409   2.995  -1.594  1.00  0.00           H  
HETATM  125  H   UNL     1      -7.551   3.987  -2.461  1.00  0.00           H  
HETATM  126  H   UNL     1      -8.123   2.323  -2.763  1.00  0.00           H  
HETATM  127  H   UNL     1      -7.861   2.135  -0.022  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.093   4.625   0.043  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.814   4.573  -0.394  1.00  0.00           H  
HETATM  130  H   UNL     1      -7.478   5.305   1.975  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.393   3.782   1.867  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.402   4.032   2.424  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.662   3.614   3.616  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.535   1.573   2.771  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.250   1.621   2.287  1.00  0.00           H  
CONECT    1    2   61   62   63                                       
CONECT    2    1    3    4                                            
CONECT    3    2   64   65   66                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   67                                       
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   68                                       
CONECT    8    7    9    9   69                                       
CONECT    9    4    8    8   70                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   71   72                                       
CONECT   12   11   13   73   74                                       
CONECT   13   12   14   75   76                                       
CONECT   14   13   15   77   78                                       
CONECT   15   14   16   79   80                                       
CONECT   16   15   17   81   82                                       
CONECT   17   16   18   83   84                                       
CONECT   18   17   19   85   86                                       
CONECT   19   18   20   87   88                                       
CONECT   20   19   21   89   90                                       
CONECT   21   20   22   91   92                                       
CONECT   22   21   23   35   35                                       
CONECT   23   22   24   25   93                                       
CONECT   24   23   28   28   94                                       
CONECT   25   23   26   26   33                                       
CONECT   26   25   25   27   32                                       
CONECT   27   26   28   29   29                                       
CONECT   28   24   24   27   95                                       
CONECT   29   27   27   30   96                                       
CONECT   30   29   31   31   97                                       
CONECT   31   30   30   32   98                                       
CONECT   32   26   31   36                                            
CONECT   33   25   34   36                                            
CONECT   34   33   35   99  100                                       
CONECT   35   22   22   34  101                                       
CONECT   36   32   33   37   48                                       
CONECT   36   49   60                                                 
CONECT   37   36   38   41                                            
CONECT   38   37   39  102  103                                       
CONECT   39   38   40  104  105                                       
CONECT   40   39   42   42  106                                       
CONECT   41   37   42   43  107                                       
CONECT   42   40   40   41  108                                       
CONECT   43   41   44   48  109                                       
CONECT   44   43   45  110  111                                       
CONECT   45   44   46  112  113                                       
CONECT   46   45   47  114  115                                       
CONECT   47   46   48  116  117                                       
CONECT   48   36   43   47                                            
CONECT   49   36   50   53                                            
CONECT   50   49   51  118  119                                       
CONECT   51   50   52  120  121                                       
CONECT   52   51   54  122  123                                       
CONECT   53   49   54   55  124                                       
CONECT   54   52   53  125  126                                       
CONECT   55   53   56   60  127                                       
CONECT   56   55   57  128  129                                       
CONECT   57   56   58  130  131                                       
CONECT   58   57   59  132  133                                       
CONECT   59   58   60  134  135                                       
CONECT   60   36   55   59                                            
CONECT   61    1                                                      
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    3                                                      
CONECT   67    5                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   21                                                      
CONECT   92   21                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   45                                                      
CONECT  114   46                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
CONECT  118   50                                                      
CONECT  119   50                                                      
CONECT  120   51                                                      
CONECT  121   51                                                      
CONECT  122   52                                                      
CONECT  123   52                                                      
CONECT  124   53                                                      
CONECT  125   54                                                      
CONECT  126   54                                                      
CONECT  127   55                                                      
CONECT  128   56                                                      
CONECT  129   56                                                      
CONECT  130   57                                                      
CONECT  131   57                                                      
CONECT  132   58                                                      
CONECT  133   58                                                      
CONECT  134   59                                                      
CONECT  135   59                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
