COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.352   0.525  -0.109  1.00  0.00           C  
HETATM    2  N   UNL     1      15.030   1.051  -0.459  1.00  0.00           N  
HETATM    3  C   UNL     1      14.916   2.279  -1.249  1.00  0.00           C  
HETATM    4  C   UNL     1      13.878   0.381  -0.039  1.00  0.00           C  
HETATM    5  C   UNL     1      12.626   0.882  -0.365  1.00  0.00           C  
HETATM    6  C   UNL     1      11.485   0.211   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1      11.598  -0.952   0.796  1.00  0.00           C  
HETATM    8  C   UNL     1      12.846  -1.446   1.125  1.00  0.00           C  
HETATM    9  C   UNL     1      13.985  -0.784   0.711  1.00  0.00           C  
HETATM   10  O   UNL     1      10.257   0.695  -0.275  1.00  0.00           O  
HETATM   11  C   UNL     1       9.298  -0.201   0.291  1.00  0.00           C  
HETATM   12  C   UNL     1       7.886   0.289  -0.037  1.00  0.00           C  
HETATM   13  C   UNL     1       6.860  -0.670   0.568  1.00  0.00           C  
HETATM   14  C   UNL     1       5.448  -0.180   0.240  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.100  -1.615  -0.299  1.00  0.00           C  
HETATM   16  C   UNL     1       0.484  -2.575  -1.229  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.475  -1.142  -0.516  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.168  -1.569  -1.558  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.573  -2.495  -2.530  1.00  0.00           C  
HETATM   20  C   UNL     1       0.594  -1.126   0.800  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.222  -2.994  -2.307  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.326  -2.863  -3.637  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.628  -2.345  -3.796  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.173  -1.512  -2.889  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.475  -1.125  -1.753  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.050  -0.226   0.373  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.256   0.307   1.375  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.006  -0.139   1.608  1.00  0.00           C  
HETATM   29 RU   UNL     1      -3.996   0.037  -0.162  1.00  0.00          Ru  
HETATM   30  N   UNL     1      -4.473   1.406   1.380  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.029   0.910   2.669  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.341   1.943   3.765  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.631   3.265   3.463  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.647   2.616   1.095  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.047   3.726   2.055  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.856   2.948  -0.361  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.112   4.161  -0.905  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.721   4.435  -2.297  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.560   3.180  -3.167  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.223   1.980  -2.446  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.508   1.794  -1.207  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.039  -0.185  -0.698  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.557   1.000  -1.333  1.00  0.00           C  
HETATM   44  C   UNL     1       4.421  -1.139   0.846  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.079   0.949  -1.509  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.805   0.619  -0.204  1.00  0.00           C  
HETATM   47  C   UNL     1       1.983  -1.608   1.123  1.00  0.00           C  
HETATM   48  C   UNL     1       3.010  -0.649   0.517  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.735  -0.357   0.600  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.199  -0.686   0.356  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.976  -1.282   1.503  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.632  -2.595   1.847  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.862  -3.354   2.614  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.503  -2.861   3.027  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.784  -2.049   1.948  1.00  0.00           C  
HETATM   56  N   UNL     1      -4.681  -1.670   0.887  1.00  0.00           N  
HETATM   57  H   UNL     1      16.465  -0.478  -0.522  1.00  0.00           H  
HETATM   58  H   UNL     1      16.451   0.485   0.976  1.00  0.00           H  
HETATM   59  H   UNL     1      17.123   1.176  -0.521  1.00  0.00           H  
HETATM   60  H   UNL     1      14.369   3.029  -0.678  1.00  0.00           H  
HETATM   61  H   UNL     1      14.382   2.067  -2.176  1.00  0.00           H  
HETATM   62  H   UNL     1      15.912   2.655  -1.482  1.00  0.00           H  
HETATM   63  H   UNL     1      12.539   1.787  -0.947  1.00  0.00           H  
HETATM   64  H   UNL     1      10.709  -1.473   1.121  1.00  0.00           H  
HETATM   65  H   UNL     1      12.931  -2.352   1.708  1.00  0.00           H  
HETATM   66  H   UNL     1      14.960  -1.172   0.969  1.00  0.00           H  
HETATM   67  H   UNL     1       9.443  -1.198  -0.125  1.00  0.00           H  
HETATM   68  H   UNL     1       9.428  -0.236   1.373  1.00  0.00           H  
HETATM   69  H   UNL     1       7.742   1.286   0.379  1.00  0.00           H  
HETATM   70  H   UNL     1       7.757   0.325  -1.119  1.00  0.00           H  
HETATM   71  H   UNL     1       7.004  -1.667   0.152  1.00  0.00           H  
HETATM   72  H   UNL     1       6.990  -0.705   1.650  1.00  0.00           H  
HETATM   73  H   UNL     1       5.304   0.817   0.656  1.00  0.00           H  
HETATM   74  H   UNL     1       5.318  -0.145  -0.842  1.00  0.00           H  
HETATM   75  H   UNL     1       1.481  -2.961  -1.075  1.00  0.00           H  
HETATM   76  H   UNL     1       0.219  -3.695  -3.001  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.918  -3.539  -4.372  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.207  -2.626  -4.667  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.176  -1.138  -3.050  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.596   1.147   1.965  1.00  0.00           H  
HETATM   81  H   UNL     1       0.550   0.273   2.442  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.961   0.711   2.674  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.531  -0.017   2.937  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.996   1.558   4.725  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.417   2.109   3.804  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.553   3.115   3.492  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.589   2.383   1.245  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.522   4.643   1.802  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.934   3.155  -0.491  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.059   3.930  -0.996  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.279   5.010  -0.253  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.201   5.268  -2.767  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.779   4.667  -2.195  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.504   2.970  -3.305  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.049   3.334  -4.123  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.196   1.109  -3.077  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.244   2.314  -2.242  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.150   1.024  -2.361  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.278   1.899  -0.796  1.00  0.00           H  
HETATM  100  H   UNL     1       4.566  -2.136   0.430  1.00  0.00           H  
HETATM  101  H   UNL     1       4.551  -1.174   1.927  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.326   0.189  -2.256  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.428   1.918  -1.876  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.865   0.477  -0.398  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.660   1.426   0.511  1.00  0.00           H  
HETATM  106  H   UNL     1       2.128  -2.605   0.707  1.00  0.00           H  
HETATM  107  H   UNL     1       2.113  -1.643   2.205  1.00  0.00           H  
HETATM  108  H   UNL     1       2.865   0.348   0.933  1.00  0.00           H  
HETATM  109  H   UNL     1       2.880  -0.614  -0.564  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.721   0.631   1.105  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.283  -1.481  -0.374  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.678  -0.946   1.292  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.825  -0.750   2.445  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.598  -2.869   1.509  1.00  0.00           H  
HETATM  115  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.204  -4.321   2.943  1.00  0.00           H  
HETATM  117  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.882  -3.723   3.287  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.617  -2.234   3.915  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.982  -2.678   1.534  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.316  -1.180   2.404  1.00  0.00           H  
CONECT    1    2   57   58   59                                       
CONECT    2    1    3    4                                            
CONECT    3    2   60   61   62                                       
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   63                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   64                                       
CONECT    8    7    7    9   65                                       
CONECT    9    4    4    8   66                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   67   68                                       
CONECT   12   11   13   69   70                                       
CONECT   13   12   14   71   72                                       
CONECT   14   13   44   73   74                                       
CONECT   15   16   17   20   20                                       
CONECT   16   15   21   21   75                                       
CONECT   17   15   18   18   26                                       
CONECT   18   17   17   19   25                                       
CONECT   19   18   21   22   22                                       
CONECT   20   15   15   28   47                                       
CONECT   21   16   16   19   76                                       
CONECT   22   19   19   23   77                                       
CONECT   23   22   24   24   78                                       
CONECT   24   23   23   25   79                                       
CONECT   25   18   24   29                                            
CONECT   26   17   27   29                                            
CONECT   27   26   28   28   80                                       
CONECT   28   20   27   27   81                                       
CONECT   29   25   26   30   41                                       
CONECT   29   42   56                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   82   83                                       
CONECT   32   31   33   84   85                                       
CONECT   33   32   35   35   86                                       
CONECT   34   30   35   36   87                                       
CONECT   35   33   33   34   88                                       
CONECT   36   34   37   41   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   39   92   93                                       
CONECT   39   38   40   94   95                                       
CONECT   40   39   41   96   97                                       
CONECT   41   29   36   40                                            
CONECT   42   29   43   49                                            
CONECT   43   42   45   98   99                                       
CONECT   44   14   48  100  101                                       
CONECT   45   43   46  102  103                                       
CONECT   46   45   50  104  105                                       
CONECT   47   20   48  106  107                                       
CONECT   48   44   47  108  109                                       
CONECT   49   42   50   51  110                                       
CONECT   50   46   49  111  112                                       
CONECT   51   49   52   56  113                                       
CONECT   52   51   53  114  115                                       
CONECT   53   52   54  116  117                                       
CONECT   54   53   55  118  119                                       
CONECT   55   54   56  120  121                                       
CONECT   56   29   51   55                                            
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    3                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    5                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   14                                                      
CONECT   75   16                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   46                                                      
CONECT  106   47                                                      
CONECT  107   47                                                      
CONECT  108   48                                                      
CONECT  109   48                                                      
CONECT  110   49                                                      
CONECT  111   50                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   52                                                      
CONECT  116   53                                                      
CONECT  117   53                                                      
CONECT  118   54                                                      
CONECT  119   54                                                      
CONECT  120   55                                                      
CONECT  121   55                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
