COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.351   0.150  -0.468  1.00  0.00           C  
HETATM    2  N   UNL     1      13.007   0.606  -0.834  1.00  0.00           N  
HETATM    3  C   UNL     1      12.838   1.652  -1.845  1.00  0.00           C  
HETATM    4  C   UNL     1      11.887   0.042  -0.218  1.00  0.00           C  
HETATM    5  C   UNL     1      10.614   0.477  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1       9.505  -0.089   0.049  1.00  0.00           C  
HETATM    7  C   UNL     1       9.670  -1.080   1.006  1.00  0.00           C  
HETATM    8  C   UNL     1      10.939  -1.508   1.350  1.00  0.00           C  
HETATM    9  C   UNL     1      12.046  -0.950   0.741  1.00  0.00           C  
HETATM   10  O   UNL     1       8.257   0.330  -0.287  1.00  0.00           O  
HETATM   11  C   UNL     1       7.339  -0.427   0.505  1.00  0.00           C  
HETATM   12  C   UNL     1       5.908  -0.002   0.173  1.00  0.00           C  
HETATM   13  C   UNL     1       4.925  -0.813   1.020  1.00  0.00           C  
HETATM   14  C   UNL     1       3.493  -0.388   0.689  1.00  0.00           C  
HETATM   15  C   UNL     1       2.511  -1.198   1.536  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.227  -2.849  -1.611  1.00  0.00           C  
HETATM   17  C   UNL     1       0.134  -3.300  -1.341  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.759  -1.685  -0.889  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.012  -1.044  -0.005  1.00  0.00           C  
HETATM   20  C   UNL     1       0.361  -1.488   0.273  1.00  0.00           C  
HETATM   21  C   UNL     1       0.897  -2.645  -0.433  1.00  0.00           C  
HETATM   22  C   UNL     1       1.102  -0.780   1.210  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.050  -3.482  -2.533  1.00  0.00           C  
HETATM   24  C   UNL     1       0.527   0.336   1.853  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.731   0.736   1.590  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.528   0.064   0.672  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.063  -1.256  -1.143  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.836  -1.931  -2.078  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.357  -2.996  -2.747  1.00  0.00           C  
HETATM   30 RU   UNL     1      -3.435   0.352   0.040  1.00  0.00          Ru  
HETATM   31  N   UNL     1      -3.609   2.205   1.060  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.457   1.977   2.497  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.540   3.334   3.211  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.449   4.289   2.719  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.357   2.934   0.687  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.487   4.366   1.179  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.987   2.708  -0.738  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.783   3.919  -1.635  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.992   3.404  -2.856  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.739   2.234  -3.500  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.110   1.164  -2.465  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.937   1.790  -1.433  1.00  0.00           N  
HETATM   43  N   UNL     1      -5.504   0.346  -0.437  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.659   0.594  -1.872  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.153   0.537  -2.215  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.754  -0.824  -1.856  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.896  -1.087  -0.287  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.409  -1.177  -0.396  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.234  -1.735   0.881  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.116  -2.285   1.967  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.440  -2.798   2.983  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.938  -2.800   2.977  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.302  -1.665   2.180  1.00  0.00           C  
HETATM   54  N   UNL     1      -4.311  -0.793   1.593  1.00  0.00           N  
HETATM   55  H   UNL     1      15.015   0.253  -1.326  1.00  0.00           H  
HETATM   56  H   UNL     1      14.310  -0.896  -0.164  1.00  0.00           H  
HETATM   57  H   UNL     1      14.727   0.755   0.357  1.00  0.00           H  
HETATM   58  H   UNL     1      12.324   2.505  -1.403  1.00  0.00           H  
HETATM   59  H   UNL     1      12.249   1.263  -2.676  1.00  0.00           H  
HETATM   60  H   UNL     1      13.816   1.966  -2.210  1.00  0.00           H  
HETATM   61  H   UNL     1      10.488   1.249  -1.305  1.00  0.00           H  
HETATM   62  H   UNL     1       8.806  -1.518   1.484  1.00  0.00           H  
HETATM   63  H   UNL     1      11.064  -2.279   2.095  1.00  0.00           H  
HETATM   64  H   UNL     1      13.037  -1.286   1.011  1.00  0.00           H  
HETATM   65  H   UNL     1       7.463  -1.488   0.288  1.00  0.00           H  
HETATM   66  H   UNL     1       7.536  -0.247   1.561  1.00  0.00           H  
HETATM   67  H   UNL     1       5.784   1.059   0.389  1.00  0.00           H  
HETATM   68  H   UNL     1       5.711  -0.183  -0.884  1.00  0.00           H  
HETATM   69  H   UNL     1       5.049  -1.874   0.804  1.00  0.00           H  
HETATM   70  H   UNL     1       5.122  -0.632   2.077  1.00  0.00           H  
HETATM   71  H   UNL     1       3.370   0.674   0.905  1.00  0.00           H  
HETATM   72  H   UNL     1       3.297  -0.568  -0.368  1.00  0.00           H  
HETATM   73  H   UNL     1       2.634  -2.260   1.320  1.00  0.00           H  
HETATM   74  H   UNL     1       2.708  -1.018   2.593  1.00  0.00           H  
HETATM   75  H   UNL     1       0.532  -4.156  -1.865  1.00  0.00           H  
HETATM   76  H   UNL     1       1.904  -2.980  -0.233  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.693  -4.339  -3.083  1.00  0.00           H  
HETATM   78  H   UNL     1       1.113   0.888   2.579  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.130   1.601   2.106  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.846  -1.594  -2.275  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.994  -3.493  -3.469  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.489   1.520   2.694  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.253   1.327   2.852  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.421   3.180   4.286  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.519   3.780   3.023  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.475   3.921   3.040  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.543   2.474   1.288  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.654   4.955   0.813  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.009   2.178  -0.713  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.209   4.672  -1.109  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.745   4.306  -1.951  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.006   3.070  -2.533  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.884   4.209  -3.583  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.103   1.784  -4.267  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.650   2.607  -3.973  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.205   0.762  -2.012  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.669   0.364  -2.947  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.124  -0.170  -2.435  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.263   1.578  -2.117  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.281   0.713  -3.286  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.679   1.318  -1.663  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.343  -1.586  -2.519  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.836  -0.785  -1.976  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.495  -1.608  -1.185  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.731  -2.187  -0.169  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.864  -0.460   0.279  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.626  -2.568   0.490  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.178  -2.256   1.918  1.00  0.00           H  
HETATM  109  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.967  -3.220   3.827  1.00  0.00           H  
HETATM  111  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.596  -3.752   2.557  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.584  -2.741   4.011  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.691  -2.092   1.381  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.661  -1.080   2.841  1.00  0.00           H  
CONECT    1    2   55   56   57                                       
CONECT    2    1    3    4                                            
CONECT    3    2   58   59   60                                       
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   61                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   62                                       
CONECT    8    7    7    9   63                                       
CONECT    9    4    4    8   64                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13   15   71   72                                       
CONECT   15   14   22   73   74                                       
CONECT   16   17   18   23   23                                       
CONECT   17   16   21   21   75                                       
CONECT   18   16   19   19   27                                       
CONECT   19   18   18   20   26                                       
CONECT   20   19   21   22   22                                       
CONECT   21   17   17   20   76                                       
CONECT   22   15   20   20   24                                       
CONECT   23   16   16   29   77                                       
CONECT   24   22   25   25   78                                       
CONECT   25   24   24   26   79                                       
CONECT   26   19   25   30                                            
CONECT   27   18   28   30                                            
CONECT   28   27   29   29   80                                       
CONECT   29   23   28   28   81                                       
CONECT   30   26   27   31   42                                       
CONECT   30   43   54                                                 
CONECT   31   30   32   35                                            
CONECT   32   31   33   82   83                                       
CONECT   33   32   34   84   85                                       
CONECT   34   33   36   36   86                                       
CONECT   35   31   36   37   87                                       
CONECT   36   34   34   35   88                                       
CONECT   37   35   38   42   89                                       
CONECT   38   37   39   90   91                                       
CONECT   39   38   40   92   93                                       
CONECT   40   39   41   94   95                                       
CONECT   41   40   42   96   97                                       
CONECT   42   30   37   41                                            
CONECT   43   30   44   47                                            
CONECT   44   43   45   98   99                                       
CONECT   45   44   46  100  101                                       
CONECT   46   45   48  102  103                                       
CONECT   47   43   48   49  104                                       
CONECT   48   46   47  105  106                                       
CONECT   49   47   50   54  107                                       
CONECT   50   49   51  108  109                                       
CONECT   51   50   52  110  111                                       
CONECT   52   51   53  112  113                                       
CONECT   53   52   54  114  115                                       
CONECT   54   30   49   53                                            
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   17                                                      
CONECT   76   21                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   41                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   53                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
