COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      18.005   0.266  -0.405  1.00  0.00           C  
HETATM    2  N   UNL     1      16.700   0.789  -0.819  1.00  0.00           N  
HETATM    3  C   UNL     1      16.625   1.897  -1.775  1.00  0.00           C  
HETATM    4  C   UNL     1      15.529   0.233  -0.301  1.00  0.00           C  
HETATM    5  C   UNL     1      14.292   0.732  -0.688  1.00  0.00           C  
HETATM    6  C   UNL     1      13.132   0.172  -0.176  1.00  0.00           C  
HETATM    7  C   UNL     1      13.208  -0.877   0.729  1.00  0.00           C  
HETATM    8  C   UNL     1      14.440  -1.368   1.118  1.00  0.00           C  
HETATM    9  C   UNL     1      15.599  -0.818   0.606  1.00  0.00           C  
HETATM   10  O   UNL     1      11.920   0.654  -0.558  1.00  0.00           O  
HETATM   11  C   UNL     1      10.933  -0.113   0.135  1.00  0.00           C  
HETATM   12  C   UNL     1       9.538   0.381  -0.251  1.00  0.00           C  
HETATM   13  C   UNL     1       8.482  -0.440   0.491  1.00  0.00           C  
HETATM   14  C   UNL     1       7.087   0.054   0.104  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.968  -1.548   0.163  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.449  -2.679  -0.597  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.311  -1.030  -0.142  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.020  -1.546  -1.132  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.473  -2.634  -1.952  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.246  -0.935   1.177  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.173  -3.203  -1.617  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.221  -3.090  -3.030  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.462  -2.485  -3.313  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.960  -1.498  -2.544  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.292  -1.042  -1.417  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.843   0.013   0.623  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.040   0.624   1.573  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.803   0.170   1.853  1.00  0.00           C  
HETATM   29 RU   UNL     1      -4.770   0.302   0.032  1.00  0.00          Ru  
HETATM   30  N   UNL     1      -5.176   1.839   1.435  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.832   1.398   2.771  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.039   2.546   3.770  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.216   3.770   3.361  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.289   2.963   1.046  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.596   4.167   1.923  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.539   3.169  -0.433  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.815   4.339  -1.084  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.434   4.467  -2.494  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.187   3.155  -3.249  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.798   1.971  -2.463  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.200   1.938  -1.159  1.00  0.00           N  
HETATM   42  N   UNL     1      -6.852   0.206  -0.335  1.00  0.00           N  
HETATM   43  C   UNL     1      -7.223   0.840  -1.574  1.00  0.00           C  
HETATM   44  C   UNL     1       6.031  -0.767   0.846  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.708   0.620  -1.895  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.110  -0.853  -1.828  1.00  0.00           C  
HETATM   47  C   UNL     1       3.579  -1.094   1.202  1.00  0.00           C  
HETATM   48  C   UNL     1       2.184  -0.600   0.815  1.00  0.00           C  
HETATM   49  C   UNL     1       4.635  -0.273   0.460  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.154  -1.239  -0.451  1.00  0.00           C  
HETATM   51  C   UNL     1       1.128  -1.422   1.557  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.666  -1.422  -0.463  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.373  -2.059   0.525  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.158  -2.855   1.529  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.416  -3.457   2.443  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.920  -3.331   2.439  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.392  -2.076   1.745  1.00  0.00           C  
HETATM   58  N   UNL     1      -5.482  -1.194   1.358  1.00  0.00           N  
HETATM   59  H   UNL     1      18.074  -0.789  -0.672  1.00  0.00           H  
HETATM   60  H   UNL     1      18.115   0.376   0.674  1.00  0.00           H  
HETATM   61  H   UNL     1      18.795   0.821  -0.910  1.00  0.00           H  
HETATM   62  H   UNL     1      16.114   2.741  -1.313  1.00  0.00           H  
HETATM   63  H   UNL     1      16.073   1.577  -2.658  1.00  0.00           H  
HETATM   64  H   UNL     1      17.632   2.196  -2.064  1.00  0.00           H  
HETATM   65  H   UNL     1      14.235   1.548  -1.392  1.00  0.00           H  
HETATM   66  H   UNL     1      12.304  -1.310   1.130  1.00  0.00           H  
HETATM   67  H   UNL     1      14.497  -2.185   1.822  1.00  0.00           H  
HETATM   68  H   UNL     1      16.560  -1.204   0.911  1.00  0.00           H  
HETATM   69  H   UNL     1      11.034  -1.164  -0.136  1.00  0.00           H  
HETATM   70  H   UNL     1      11.074   0.000   1.210  1.00  0.00           H  
HETATM   71  H   UNL     1       9.437   1.432   0.020  1.00  0.00           H  
HETATM   72  H   UNL     1       9.397   0.268  -1.326  1.00  0.00           H  
HETATM   73  H   UNL     1       8.583  -1.491   0.220  1.00  0.00           H  
HETATM   74  H   UNL     1       8.623  -0.327   1.566  1.00  0.00           H  
HETATM   75  H   UNL     1       6.986   1.105   0.375  1.00  0.00           H  
HETATM   76  H   UNL     1       6.946  -0.059  -0.971  1.00  0.00           H  
HETATM   77  H   UNL     1       0.510  -3.114  -0.361  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.786  -4.038  -2.181  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.857  -3.900  -3.643  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.033  -2.821  -4.171  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.897  -1.044  -2.839  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.383   1.504   2.100  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.223   0.669   2.620  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.812   1.039   2.833  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.497   0.572   3.061  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.725   2.217   4.762  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.095   2.814   3.796  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.155   3.524   3.399  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.240   2.686   1.175  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.999   5.018   1.609  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.622   3.353  -0.550  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.757   4.124  -1.156  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.000   5.243  -0.515  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.962   5.288  -3.028  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.504   4.638  -2.408  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.115   2.996  -3.354  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.655   3.209  -4.229  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.597   1.050  -3.013  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.867   2.153  -2.429  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.616   0.499  -2.405  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.100   1.931  -1.446  1.00  0.00           H  
HETATM  102  H   UNL     1       6.132  -1.818   0.575  1.00  0.00           H  
HETATM  103  H   UNL     1       6.171  -0.654   1.921  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.911   0.998  -2.902  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.314   1.189  -1.185  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.616  -1.404  -2.627  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.189  -0.945  -1.928  1.00  0.00           H  
HETATM  108  H   UNL     1       3.680  -2.145   0.931  1.00  0.00           H  
HETATM  109  H   UNL     1       3.720  -0.981   2.277  1.00  0.00           H  
HETATM  110  H   UNL     1       2.083   0.451   1.086  1.00  0.00           H  
HETATM  111  H   UNL     1       2.043  -0.713  -0.260  1.00  0.00           H  
HETATM  112  H   UNL     1       4.534   0.778   0.731  1.00  0.00           H  
HETATM  113  H   UNL     1       4.495  -0.386  -0.615  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.817  -1.571  -1.454  1.00  0.00           H  
HETATM  115  H   UNL     1       1.229  -2.473   1.286  1.00  0.00           H  
HETATM  116  H   UNL     1       1.269  -1.308   2.632  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.908  -2.474  -0.400  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.110  -0.854   0.343  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.747  -2.753  -0.052  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.221  -2.922   1.503  1.00  0.00           H  
HETATM  121  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.892  -4.052   3.213  1.00  0.00           H  
HETATM  123  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.502  -4.207   1.931  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.564  -3.335   3.473  1.00  0.00           H  
HETATM  126  H   UNL     1      -3.839  -2.385   0.856  1.00  0.00           H  
HETATM  127  H   UNL     1      -3.719  -1.552   2.425  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    1    3    4                                            
CONECT    3    2   62   63   64                                       
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   65                                       
CONECT    6    5    5    7   10                                       
CONECT    7    6    8    8   66                                       
CONECT    8    7    7    9   67                                       
CONECT    9    4    4    8   68                                       
CONECT   10    6   11                                                 
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   14   73   74                                       
CONECT   14   13   44   75   76                                       
CONECT   15   16   17   20   20                                       
CONECT   16   15   21   21   77                                       
CONECT   17   15   18   18   26                                       
CONECT   18   17   17   19   25                                       
CONECT   19   18   21   22   22                                       
CONECT   20   15   15   28   51                                       
CONECT   21   16   16   19   78                                       
CONECT   22   19   19   23   79                                       
CONECT   23   22   24   24   80                                       
CONECT   24   23   23   25   81                                       
CONECT   25   18   24   29                                            
CONECT   26   17   27   29                                            
CONECT   27   26   28   28   82                                       
CONECT   28   20   27   27   83                                       
CONECT   29   25   26   30   41                                       
CONECT   29   42   58                                                 
CONECT   30   29   31   34                                            
CONECT   31   30   32   84   85                                       
CONECT   32   31   33   86   87                                       
CONECT   33   32   35   35   88                                       
CONECT   34   30   35   36   89                                       
CONECT   35   33   33   34   90                                       
CONECT   36   34   37   41   91                                       
CONECT   37   36   38   92   93                                       
CONECT   38   37   39   94   95                                       
CONECT   39   38   40   96   97                                       
CONECT   40   39   41   98   99                                       
CONECT   41   29   36   40                                            
CONECT   42   29   43   50                                            
CONECT   43   42   45  100  101                                       
CONECT   44   14   49  102  103                                       
CONECT   45   43   46  104  105                                       
CONECT   46   45   52  106  107                                       
CONECT   47   48   49  108  109                                       
CONECT   48   47   51  110  111                                       
CONECT   49   44   47  112  113                                       
CONECT   50   42   52   53  114                                       
CONECT   51   20   48  115  116                                       
CONECT   52   46   50  117  118                                       
CONECT   53   50   54   58  119                                       
CONECT   54   53   55  120  121                                       
CONECT   55   54   56  122  123                                       
CONECT   56   55   57  124  125                                       
CONECT   57   56   58  126  127                                       
CONECT   58   29   53   57                                            
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   16                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   54                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   56                                                      
CONECT  126   57                                                      
CONECT  127   57                                                      
MASTER        0    0    0    0    0    0    0    0  127    0  127    0
END
