COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.729   1.992   0.656  1.00  0.00           C  
HETATM    2  N   UNL     1      10.987   0.885   0.049  1.00  0.00           N  
HETATM    3  C   UNL     1      11.706  -0.185  -0.647  1.00  0.00           C  
HETATM    4  C   UNL     1       9.593   0.850   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       8.888  -0.195  -0.448  1.00  0.00           C  
HETATM    6  C   UNL     1       7.505  -0.230  -0.357  1.00  0.00           C  
HETATM    7  C   UNL     1       6.828   0.786   0.304  1.00  0.00           C  
HETATM    8  C   UNL     1       7.531   1.829   0.876  1.00  0.00           C  
HETATM    9  C   UNL     1       8.910   1.864   0.792  1.00  0.00           C  
HETATM   10  O   UNL     1       6.812  -1.255  -0.919  1.00  0.00           O  
HETATM   11  C   UNL     1       5.428  -1.006  -0.665  1.00  0.00           C  
HETATM   12  C   UNL     1       4.588  -2.130  -1.274  1.00  0.00           C  
HETATM   13  C   UNL     1       3.106  -1.864  -1.002  1.00  0.00           C  
HETATM   14  C   UNL     1       2.265  -2.988  -1.612  1.00  0.00           C  
HETATM   15  C   UNL     1       0.809  -2.726  -1.344  1.00  0.00           C  
HETATM   16  C   UNL     1       0.168  -3.147  -0.054  1.00  0.00           C  
HETATM   17  C   UNL     1       1.131  -3.680   0.956  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.688  -1.932   0.327  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.706  -1.499   1.543  1.00  0.00           C  
HETATM   20  C   UNL     1       0.185  -2.123   2.576  1.00  0.00           C  
HETATM   21  C   UNL     1       1.117  -3.182   2.200  1.00  0.00           C  
HETATM   22  C   UNL     1       0.050  -1.613   3.833  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.857  -0.563   4.106  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.635   0.024   3.166  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.554  -0.425   1.868  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.486  -1.286  -0.657  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.403  -1.834  -2.012  1.00  0.00           C  
HETATM   28  C   UNL     1       0.077  -2.108  -2.260  1.00  0.00           C  
HETATM   29 RU   UNL     1      -2.501   0.224   0.197  1.00  0.00          Ru  
HETATM   30  N   UNL     1      -4.226  -0.938   0.619  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.869  -2.034   1.507  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.948  -3.113   1.527  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.111  -2.851   0.615  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.568  -1.600  -0.676  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.965  -2.114  -0.474  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.335  -0.688  -1.831  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.493  -0.446  -2.791  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.827   0.043  -4.096  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.007   1.296  -3.785  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.032   1.061  -2.616  1.00  0.00           C  
HETATM   41  N   UNL     1      -3.773   0.635  -1.444  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.263   1.869   1.311  1.00  0.00           N  
HETATM   43  C   UNL     1      -4.708   1.715   1.455  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.257   2.925   2.224  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.919   4.240   1.523  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.097   3.043   0.412  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.410   4.296   1.214  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.809   2.994  -0.336  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.818   4.141  -0.178  1.00  0.00           C  
HETATM   50  C   UNL     1       0.129   4.012  -1.390  1.00  0.00           C  
HETATM   51  C   UNL     1       0.775   2.625  -1.408  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.277   1.506  -1.309  1.00  0.00           C  
HETATM   53  N   UNL     1      -1.063   1.736  -0.114  1.00  0.00           N  
HETATM   54  H   UNL     1      12.712   1.640   0.972  1.00  0.00           H  
HETATM   55  H   UNL     1      11.182   2.365   1.522  1.00  0.00           H  
HETATM   56  H   UNL     1      11.847   2.794  -0.072  1.00  0.00           H  
HETATM   57  H   UNL     1      11.380  -0.225  -1.687  1.00  0.00           H  
HETATM   58  H   UNL     1      11.495  -1.139  -0.163  1.00  0.00           H  
HETATM   59  H   UNL     1      12.777   0.013  -0.609  1.00  0.00           H  
HETATM   60  H   UNL     1       9.416  -0.985  -0.962  1.00  0.00           H  
HETATM   61  H   UNL     1       5.751   0.761   0.371  1.00  0.00           H  
HETATM   62  H   UNL     1       7.002   2.618   1.389  1.00  0.00           H  
HETATM   63  H   UNL     1       9.457   2.681   1.241  1.00  0.00           H  
HETATM   64  H   UNL     1       5.258  -0.968   0.411  1.00  0.00           H  
HETATM   65  H   UNL     1       5.142  -0.055  -1.112  1.00  0.00           H  
HETATM   66  H   UNL     1       4.758  -2.168  -2.350  1.00  0.00           H  
HETATM   67  H   UNL     1       4.874  -3.082  -0.827  1.00  0.00           H  
HETATM   68  H   UNL     1       2.935  -1.826   0.074  1.00  0.00           H  
HETATM   69  H   UNL     1       2.819  -0.912  -1.449  1.00  0.00           H  
HETATM   70  H   UNL     1       2.436  -3.026  -2.688  1.00  0.00           H  
HETATM   71  H   UNL     1       2.552  -3.940  -1.164  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.526  -3.957  -0.298  1.00  0.00           H  
HETATM   73  H   UNL     1       1.826  -4.467   0.703  1.00  0.00           H  
HETATM   74  H   UNL     1       1.807  -3.573   2.936  1.00  0.00           H  
HETATM   75  H   UNL     1       0.648  -2.017   4.640  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.935  -0.207   5.131  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.303   0.825   3.433  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.945  -2.780  -2.055  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.769  -1.158  -2.761  1.00  0.00           H  
HETATM   80  H   UNL     1       0.532  -1.796  -3.184  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.932  -2.482   1.170  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.735  -1.649   2.520  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.490  -4.066   1.237  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.322  -3.214   2.551  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.079  -3.271   0.857  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.903  -2.469  -0.805  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.761  -1.900  -1.149  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.554  -1.189  -2.447  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.021  -1.373  -2.967  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.142   0.322  -2.392  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.172  -0.735  -4.483  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.594   0.281  -4.830  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.431   1.578  -4.670  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.681   2.114  -3.524  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.294   0.327  -2.917  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.522   2.005  -2.441  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.926   0.804   2.012  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.175   1.663   0.473  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.829   2.933   3.229  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.343   2.832   2.308  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.187   5.075   2.172  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.483   4.311   0.593  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.894   2.967  -0.359  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.840   4.287   2.138  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.183   5.176   0.623  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.095   3.053  -1.404  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.265   4.019   0.744  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.344   5.086  -0.213  1.00  0.00           H  
HETATM  109  H   UNL     1       0.904   4.775  -1.329  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.444   4.154  -2.308  1.00  0.00           H  
HETATM  111  H   UNL     1       1.465   2.540  -0.567  1.00  0.00           H  
HETATM  112  H   UNL     1       1.333   2.503  -2.339  1.00  0.00           H  
HETATM  113  H   UNL     1       0.244   0.547  -1.234  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.886   1.510  -2.205  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3    4                                            
CONECT    3    2   57   58   59                                       
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   60                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   61                                       
CONECT    8    7    7    9   62                                       
CONECT    9    4    4    8   63                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66   67                                       
CONECT   13   12   14   68   69                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   16   28   28                                       
CONECT   16   15   17   18   72                                       
CONECT   17   16   21   21   73                                       
CONECT   18   16   19   19   26                                       
CONECT   19   18   18   20   25                                       
CONECT   20   19   21   22   22                                       
CONECT   21   17   17   20   74                                       
CONECT   22   20   20   23   75                                       
CONECT   23   22   24   24   76                                       
CONECT   24   23   23   25   77                                       
CONECT   25   19   24   29                                            
CONECT   26   18   27   29                                            
CONECT   27   26   28   78   79                                       
CONECT   28   15   15   27   80                                       
CONECT   29   25   26   30   41                                       
CONECT   29   42   53                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   35   35   85                                       
CONECT   34   30   35   36   86                                       
CONECT   35   33   33   34   87                                       
CONECT   36   34   37   41   88                                       
CONECT   37   36   38   89   90                                       
CONECT   38   37   39   91   92                                       
CONECT   39   38   40   93   94                                       
CONECT   40   39   41   95   96                                       
CONECT   41   29   36   40                                            
CONECT   42   29   43   46                                            
CONECT   43   42   44   97   98                                       
CONECT   44   43   45   99  100                                       
CONECT   45   44   47  101  102                                       
CONECT   46   42   47   48  103                                       
CONECT   47   45   46  104  105                                       
CONECT   48   46   49   53  106                                       
CONECT   49   48   50  107  108                                       
CONECT   50   49   51  109  110                                       
CONECT   51   50   52  111  112                                       
CONECT   52   51   53  113  114                                       
CONECT   53   29   48   52                                            
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
