COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.972 -46.167  11.292  1.00  0.00           C  
HETATM    2  C   UNL     1       0.855 -45.355  10.160  1.00  0.00           C  
HETATM    3  C   UNL     1       1.537 -44.146  10.076  1.00  0.00           C  
HETATM    4  N   UNL     1       1.735 -45.831  12.335  1.00  0.00           N  
HETATM    5  C   UNL     1       2.418 -44.684  12.317  1.00  0.00           C  
HETATM    6  C   UNL     1       2.329 -43.778  11.150  1.00  0.00           C  
HETATM    7  C   UNL     1       3.035 -42.583  11.136  1.00  0.00           C  
HETATM    8  C   UNL     1       3.845 -42.192  12.203  1.00  0.00           C  
HETATM    9  C   UNL     1       3.269 -44.277  13.443  1.00  0.00           C  
HETATM   10  N   UNL     1       3.402 -45.038  14.550  1.00  0.00           N  
HETATM   11  C   UNL     1       3.988 -42.982  13.338  1.00  0.00           C  
HETATM   12  C   UNL     1       4.793 -42.585  14.400  1.00  0.00           C  
HETATM   13  C   UNL     1       4.879 -43.422  15.512  1.00  0.00           C  
HETATM   14  C   UNL     1       4.178 -44.632  15.562  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.298 -44.738  14.702  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.315 -44.410  15.600  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.342 -44.960  16.878  1.00  0.00           C  
HETATM   18  N   UNL     1       0.682 -45.586  15.032  1.00  0.00           N  
HETATM   19  C   UNL     1       0.715 -46.142  16.248  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.331 -45.837  17.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.292 -46.421  18.511  1.00  0.00           C  
HETATM   22  C   UNL     1       0.721 -47.307  18.877  1.00  0.00           C  
HETATM   23  C   UNL     1       1.781 -47.064  16.634  1.00  0.00           C  
HETATM   24  N   UNL     1       2.761 -47.378  15.786  1.00  0.00           N  
HETATM   25  C   UNL     1       1.741 -47.641  17.992  1.00  0.00           C  
HETATM   26  C   UNL     1       2.749 -48.513  18.354  1.00  0.00           C  
HETATM   27  C   UNL     1       3.738 -48.802  17.421  1.00  0.00           C  
HETATM   28  C   UNL     1       3.723 -48.227  16.151  1.00  0.00           C  
HETATM   29  C   UNL     1       7.447 -63.306  -1.831  1.00  0.00           C  
HETATM   30  C   UNL     1       8.490 -63.780  -2.608  1.00  0.00           C  
HETATM   31  C   UNL     1       9.576 -64.400  -2.000  1.00  0.00           C  
HETATM   32  N   UNL     1       7.449 -63.425  -0.500  1.00  0.00           N  
HETATM   33  C   UNL     1       8.465 -64.017   0.148  1.00  0.00           C  
HETATM   34  C   UNL     1       9.607 -64.540  -0.623  1.00  0.00           C  
HETATM   35  C   UNL     1      10.672 -65.153   0.025  1.00  0.00           C  
HETATM   36  C   UNL     1      10.706 -65.300   1.409  1.00  0.00           C  
HETATM   37  C   UNL     1       8.500 -64.171   1.621  1.00  0.00           C  
HETATM   38  N   UNL     1       7.509 -63.729   2.416  1.00  0.00           N  
HETATM   39  C   UNL     1       9.678 -64.836   2.214  1.00  0.00           C  
HETATM   40  C   UNL     1       9.723 -64.981   3.588  1.00  0.00           C  
HETATM   41  C   UNL     1       8.663 -64.496   4.346  1.00  0.00           C  
HETATM   42  C   UNL     1       7.574 -63.876   3.740  1.00  0.00           C  
HETATM   43  C   UNL     1       4.911 -61.117  -1.037  1.00  0.00           C  
HETATM   44  C   UNL     1       3.900 -60.986  -1.992  1.00  0.00           C  
HETATM   45  C   UNL     1       3.043 -62.047  -2.272  1.00  0.00           C  
HETATM   46  N   UNL     1       5.087 -62.259  -0.363  1.00  0.00           N  
HETATM   47  C   UNL     1       4.298 -63.332  -0.587  1.00  0.00           C  
HETATM   48  C   UNL     1       3.205 -63.245  -1.588  1.00  0.00           C  
HETATM   49  C   UNL     1       2.375 -64.342  -1.830  1.00  0.00           C  
HETATM   50  C   UNL     1       2.538 -65.553  -1.149  1.00  0.00           C  
HETATM   51  C   UNL     1       4.474 -64.618   0.136  1.00  0.00           C  
HETATM   52  N   UNL     1       5.431 -64.796   1.071  1.00  0.00           N  
HETATM   53  C   UNL     1       3.542 -65.728  -0.195  1.00  0.00           C  
HETATM   54  C   UNL     1       3.696 -66.932   0.475  1.00  0.00           C  
HETATM   55  C   UNL     1       4.713 -67.041   1.425  1.00  0.00           C  
HETATM   56  C   UNL     1       5.560 -65.966   1.702  1.00  0.00           C  
HETATM   57 RU   UNL     1       2.202 -46.502  14.179  1.00  0.00          Ru  
HETATM   58 RU   UNL     1       6.309 -63.004   1.040  1.00  0.00          Ru  
HETATM   59  C   UNL     1       4.368 -55.205   6.921  1.00  0.00           C  
HETATM   60  C   UNL     1       4.108 -56.512   6.511  1.00  0.00           C  
HETATM   61  C   UNL     1       5.386 -54.557   6.224  1.00  0.00           C  
HETATM   62  C   UNL     1       6.116 -55.184   5.203  1.00  0.00           C  
HETATM   63  C   UNL     1       5.868 -56.481   4.814  1.00  0.00           C  
HETATM   64  C   UNL     1       4.855 -57.122   5.490  1.00  0.00           C  
HETATM   65  N   UNL     1       4.586 -58.387   5.142  1.00  0.00           N  
HETATM   66  N   UNL     1       6.582 -57.102   3.816  1.00  0.00           N  
HETATM   67  C   UNL     1       6.286 -58.390   3.473  1.00  0.00           C  
HETATM   68  C   UNL     1       6.970 -59.200   2.404  1.00  0.00           C  
HETATM   69  C   UNL     1       6.583 -60.528   2.130  1.00  0.00           C  
HETATM   70  N   UNL     1       7.144 -61.311   1.188  1.00  0.00           N  
HETATM   71  C   UNL     1       8.131 -60.795   0.471  1.00  0.00           C  
HETATM   72  C   UNL     1       8.564 -59.479   0.689  1.00  0.00           C  
HETATM   73  C   UNL     1       7.988 -58.666   1.658  1.00  0.00           C  
HETATM   74  C   UNL     1       5.268 -59.012   4.166  1.00  0.00           C  
HETATM   75  C   UNL     1       4.899 -60.409   3.843  1.00  0.00           C  
HETATM   76  C   UNL     1       5.559 -61.116   2.850  1.00  0.00           C  
HETATM   77  C   UNL     1       3.891 -61.008   4.552  1.00  0.00           C  
HETATM   78  C   UNL     1       3.580 -62.305   4.227  1.00  0.00           C  
HETATM   79  C   UNL     1       4.270 -62.984   3.220  1.00  0.00           C  
HETATM   80  N   UNL     1       5.236 -62.381   2.558  1.00  0.00           N  
HETATM   81  C   UNL     1       3.550 -54.436   7.966  1.00  0.00           C  
HETATM   82  C   UNL     1       4.113 -53.273   8.535  1.00  0.00           C  
HETATM   83  C   UNL     1       2.200 -54.690   8.224  1.00  0.00           C  
HETATM   84  C   UNL     1       1.497 -53.884   9.140  1.00  0.00           C  
HETATM   85  C   UNL     1       2.093 -52.770   9.759  1.00  0.00           C  
HETATM   86  C   UNL     1       3.422 -52.453   9.454  1.00  0.00           C  
HETATM   87  N   UNL     1       4.024 -51.357  10.050  1.00  0.00           N  
HETATM   88  N   UNL     1       1.408 -51.981  10.643  1.00  0.00           N  
HETATM   89  C   UNL     1       2.008 -50.889  11.230  1.00  0.00           C  
HETATM   90  C   UNL     1       1.286 -49.997  12.206  1.00  0.00           C  
HETATM   91  C   UNL     1       1.895 -48.894  12.802  1.00  0.00           C  
HETATM   92  N   UNL     1       1.275 -48.095  13.673  1.00  0.00           N  
HETATM   93  C   UNL     1       0.016 -48.310  14.022  1.00  0.00           C  
HETATM   94  C   UNL     1      -0.658 -49.389  13.470  1.00  0.00           C  
HETATM   95  C   UNL     1      -0.026 -50.241  12.558  1.00  0.00           C  
HETATM   96  C   UNL     1       3.340 -50.563  10.936  1.00  0.00           C  
HETATM   97  C   UNL     1       3.941 -49.349  11.621  1.00  0.00           C  
HETATM   98  C   UNL     1       3.192 -48.563  12.529  1.00  0.00           C  
HETATM   99  C   UNL     1       5.250 -48.975  11.378  1.00  0.00           C  
HETATM  100  C   UNL     1       5.718 -47.853  12.053  1.00  0.00           C  
HETATM  101  C   UNL     1       4.899 -47.130  12.940  1.00  0.00           C  
HETATM  102  N   UNL     1       3.635 -47.473  13.192  1.00  0.00           N  
HETATM  103  H   UNL     1       0.426 -47.098  11.324  1.00  0.00           H  
HETATM  104  H   UNL     1       0.227 -45.671   9.340  1.00  0.00           H  
HETATM  105  H   UNL     1       1.452 -43.516   9.203  1.00  0.00           H  
HETATM  106  H   UNL     1       2.955 -41.937  10.274  1.00  0.00           H  
HETATM  107  H   UNL     1       4.374 -41.252  12.146  1.00  0.00           H  
HETATM  108  H   UNL     1       5.337 -41.653  14.365  1.00  0.00           H  
HETATM  109  H   UNL     1       5.497 -43.131  16.349  1.00  0.00           H  
HETATM  110  H   UNL     1       4.265 -45.255  16.440  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.303 -44.296  13.717  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.090 -43.721  15.299  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.133 -44.710  17.570  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.065 -46.181  19.226  1.00  0.00           H  
HETATM  115  H   UNL     1       0.713 -47.742  19.866  1.00  0.00           H  
HETATM  116  H   UNL     1       2.768 -48.959  19.337  1.00  0.00           H  
HETATM  117  H   UNL     1       4.533 -49.484  17.685  1.00  0.00           H  
HETATM  118  H   UNL     1       4.506 -48.474  15.449  1.00  0.00           H  
HETATM  119  H   UNL     1       6.608 -62.827  -2.314  1.00  0.00           H  
HETATM  120  H   UNL     1       8.460 -63.669  -3.682  1.00  0.00           H  
HETATM  121  H   UNL     1      10.393 -64.771  -2.600  1.00  0.00           H  
HETATM  122  H   UNL     1      11.498 -65.527  -0.562  1.00  0.00           H  
HETATM  123  H   UNL     1      11.554 -65.788   1.866  1.00  0.00           H  
HETATM  124  H   UNL     1      10.565 -65.462   4.064  1.00  0.00           H  
HETATM  125  H   UNL     1       8.685 -64.602   5.421  1.00  0.00           H  
HETATM  126  H   UNL     1       6.766 -63.507   4.354  1.00  0.00           H  
HETATM  127  H   UNL     1       5.564 -60.280  -0.839  1.00  0.00           H  
HETATM  128  H   UNL     1       3.782 -60.051  -2.519  1.00  0.00           H  
HETATM  129  H   UNL     1       2.263 -61.940  -3.011  1.00  0.00           H  
HETATM  130  H   UNL     1       1.586 -64.253  -2.562  1.00  0.00           H  
HETATM  131  H   UNL     1       1.870 -66.373  -1.367  1.00  0.00           H  
HETATM  132  H   UNL     1       3.044 -67.767   0.267  1.00  0.00           H  
HETATM  133  H   UNL     1       4.847 -67.973   1.955  1.00  0.00           H  
HETATM  134  H   UNL     1       6.337 -66.083   2.443  1.00  0.00           H  
HETATM  135  H   UNL     1       3.315 -57.068   6.989  1.00  0.00           H  
HETATM  136  H   UNL     1       5.622 -53.534   6.479  1.00  0.00           H  
HETATM  137  H   UNL     1       6.899 -54.631   4.706  1.00  0.00           H  
HETATM  138  H   UNL     1       8.608 -61.395  -0.290  1.00  0.00           H  
HETATM  139  H   UNL     1       9.369 -59.086   0.086  1.00  0.00           H  
HETATM  140  H   UNL     1       8.329 -57.654   1.817  1.00  0.00           H  
HETATM  141  H   UNL     1       3.363 -60.482   5.334  1.00  0.00           H  
HETATM  142  H   UNL     1       2.787 -62.810   4.760  1.00  0.00           H  
HETATM  143  H   UNL     1       4.011 -64.005   2.984  1.00  0.00           H  
HETATM  144  H   UNL     1       5.119 -52.998   8.254  1.00  0.00           H  
HETATM  145  H   UNL     1       1.697 -55.503   7.722  1.00  0.00           H  
HETATM  146  H   UNL     1       0.471 -54.128   9.374  1.00  0.00           H  
HETATM  147  H   UNL     1      -0.478 -47.656  14.725  1.00  0.00           H  
HETATM  148  H   UNL     1      -1.685 -49.574  13.748  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.558 -51.080  12.134  1.00  0.00           H  
HETATM  150  H   UNL     1       5.879 -49.528  10.696  1.00  0.00           H  
HETATM  151  H   UNL     1       6.735 -47.528  11.893  1.00  0.00           H  
HETATM  152  H   UNL     1       5.310 -46.263  13.436  1.00  0.00           H  
CONECT    1    4    4  103    2                                       
CONECT    2    1  104    3    3                                       
CONECT    3    2    2    6  105                                       
CONECT    4    1    1   57    5                                       
CONECT    5    4    9    9    6                                       
CONECT    6    3    5    7    7                                       
CONECT    7    6    6    8  106                                       
CONECT    8    7   11   11  107                                       
CONECT    9    5    5   10   11                                       
CONECT   10    9   14   14   57                                       
CONECT   11    8    8    9   12                                       
CONECT   12   11   13   13  108                                       
CONECT   13   12   12   14  109                                       
CONECT   14   10   10   13  110                                       
CONECT   15   18   18   16  111                                       
CONECT   16   15   17   17  112                                       
CONECT   17   16   16   20  113                                       
CONECT   18   15   15   19   57                                       
CONECT   19   18   23   23   20                                       
CONECT   20   17   19   21   21                                       
CONECT   21   20   20   22  114                                       
CONECT   22   21  115   25   25                                       
CONECT   23   19   19   25   24                                       
CONECT   24   28   28   23   57                                       
CONECT   25   23   26   22   22                                       
CONECT   26   25  116   27   27                                       
CONECT   27   26   26  117   28                                       
CONECT   28   24   24   27  118                                       
CONECT   29   32   32  119   30                                       
CONECT   30   31   31   29  120                                       
CONECT   31   30   30   34  121                                       
CONECT   32   29   29   33   58                                       
CONECT   33   32   37   37   34                                       
CONECT   34   31   35   35   33                                       
CONECT   35   34   34   36  122                                       
CONECT   36   35   39   39  123                                       
CONECT   37   33   33   39   38                                       
CONECT   38   37   42   42   58                                       
CONECT   39   36   36   37   40                                       
CONECT   40   39   41   41  124                                       
CONECT   41   40   40  125   42                                       
CONECT   42   38   38   41  126                                       
CONECT   43   46   46  127   44                                       
CONECT   44   43  128   45   45                                       
CONECT   45   44   44   48  129                                       
CONECT   46   43   43   58   47                                       
CONECT   47   46   51   51   48                                       
CONECT   48   45   47   49   49                                       
CONECT   49   48   48   50  130                                       
CONECT   50   49   53   53  131                                       
CONECT   51   47   47   52   53                                       
CONECT   52   51   56   56   58                                       
CONECT   53   50   50   51   54                                       
CONECT   54   53   55   55  132                                       
CONECT   55   54   54   56  133                                       
CONECT   56   52   52   55  134                                       
CONECT   57    4   10   18   24                                       
CONECT   57   92  102                                                 
CONECT   58   32   46   52   70                                       
CONECT   58   38   80                                                 
CONECT   59   81   60   61   61                                       
CONECT   60   59  135   64   64                                       
CONECT   61   59   59  136   62                                       
CONECT   62   61  137   63   63                                       
CONECT   63   62   62   64   66                                       
CONECT   64   63   60   60   65                                       
CONECT   65   64   74   74                                            
CONECT   66   63   67   67                                            
CONECT   67   66   66   74   68                                       
CONECT   68   67   69   73   73                                       
CONECT   69   68   76   70   70                                       
CONECT   70   58   69   69   71                                       
CONECT   71   72   72   70  138                                       
CONECT   72   71   71   73  139                                       
CONECT   73   72   68   68  140                                       
CONECT   74   67   65   65   75                                       
CONECT   75   74   77   77   76                                       
CONECT   76   69   75   80   80                                       
CONECT   77   75   75  141   78                                       
CONECT   78   77  142   79   79                                       
CONECT   79   78   78  143   80                                       
CONECT   80   58   76   76   79                                       
CONECT   81   59   83   83   82                                       
CONECT   82   81   86   86  144                                       
CONECT   83   81   81   84  145                                       
CONECT   84   83   85   85  146                                       
CONECT   85   84   84   88   86                                       
CONECT   86   82   82   85   87                                       
CONECT   87   86   96   96                                            
CONECT   88   85   89   89                                            
CONECT   89   88   88   90   96                                       
CONECT   90   89   95   95   91                                       
CONECT   91   90   92   92   98                                       
CONECT   92   91   91   93   57                                       
CONECT   93   92  147   94   94                                       
CONECT   94   93   93  148   95                                       
CONECT   95   90   90   94  149                                       
CONECT   96   87   87   89   97                                       
CONECT   97   96   98   99   99                                       
CONECT   98   97   91  102  102                                       
CONECT   99   97   97  100  150                                       
CONECT  100   99  101  101  151                                       
CONECT  101  100  100  102  152                                       
CONECT  102   98   98  101   57                                       
CONECT  103    1                                                      
CONECT  104    2                                                      
CONECT  105    3                                                      
CONECT  106    7                                                      
CONECT  107    8                                                      
CONECT  108   12                                                      
CONECT  109   13                                                      
CONECT  110   14                                                      
CONECT  111   15                                                      
CONECT  112   16                                                      
CONECT  113   17                                                      
CONECT  114   21                                                      
CONECT  115   22                                                      
CONECT  116   26                                                      
CONECT  117   27                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   30                                                      
CONECT  121   31                                                      
CONECT  122   35                                                      
CONECT  123   36                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   42                                                      
CONECT  127   43                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   54                                                      
CONECT  133   55                                                      
CONECT  134   56                                                      
CONECT  135   60                                                      
CONECT  136   61                                                      
CONECT  137   62                                                      
CONECT  138   71                                                      
CONECT  139   72                                                      
CONECT  140   73                                                      
CONECT  141   77                                                      
CONECT  142   78                                                      
CONECT  143   79                                                      
CONECT  144   82                                                      
CONECT  145   83                                                      
CONECT  146   84                                                      
CONECT  147   93                                                      
CONECT  148   94                                                      
CONECT  149   95                                                      
CONECT  150   99                                                      
CONECT  151  100                                                      
CONECT  152  101                                                      
MASTER        0    0    0    0    0    0    0    0  152    0  152    0
END
