COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.013  -1.125   2.135  1.00  0.00           O  
HETATM    2  C   UNL     1       8.043  -0.758   1.500  1.00  0.00           C  
HETATM    3  N   UNL     1       7.736   0.553   1.437  1.00  0.00           N  
HETATM    4  C   UNL     1       6.619   1.020   0.604  1.00  0.00           C  
HETATM    5  C   UNL     1       7.131   2.115  -0.338  1.00  0.00           C  
HETATM    6  C   UNL     1       7.806   3.215   0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       8.280   4.310  -0.436  1.00  0.00           C  
HETATM    8  C   UNL     1       7.799   5.597  -0.285  1.00  0.00           C  
HETATM    9  C   UNL     1       8.235   6.601  -1.129  1.00  0.00           C  
HETATM   10  C   UNL     1       7.710   8.005  -0.965  1.00  0.00           C  
HETATM   11  N   UNL     1       8.575   8.745  -0.037  1.00  0.00           N  
HETATM   12  C   UNL     1       9.152   6.319  -2.124  1.00  0.00           C  
HETATM   13  C   UNL     1       9.633   5.032  -2.275  1.00  0.00           C  
HETATM   14  C   UNL     1       9.201   4.029  -1.428  1.00  0.00           C  
HETATM   15  C   UNL     1       9.001   2.630   1.240  1.00  0.00           C  
HETATM   16  C   UNL     1       8.507   1.541   2.204  1.00  0.00           C  
HETATM   17  C   UNL     1       7.204  -1.749   0.794  1.00  0.00           C  
HETATM   18  C   UNL     1       7.791  -2.872   0.207  1.00  0.00           C  
HETATM   19  C   UNL     1       7.005  -3.796  -0.452  1.00  0.00           C  
HETATM   20  C   UNL     1       5.637  -3.613  -0.535  1.00  0.00           C  
HETATM   21  C   UNL     1       5.823  -1.569   0.716  1.00  0.00           C  
HETATM   22  C   UNL     1       5.044  -2.499   0.046  1.00  0.00           C  
HETATM   23  N   UNL     1       3.659  -2.319  -0.040  1.00  0.00           N  
HETATM   24  C   UNL     1       2.847  -3.388  -0.162  1.00  0.00           C  
HETATM   25  O   UNL     1       3.311  -4.508  -0.136  1.00  0.00           O  
HETATM   26  C   UNL     1       1.362  -3.191  -0.333  1.00  0.00           C  
HETATM   27  O   UNL     1       1.102  -2.291  -1.412  1.00  0.00           O  
HETATM   28  C   UNL     1       0.739  -2.659   0.973  1.00  0.00           C  
HETATM   29  C   UNL     1       0.030  -1.327   0.721  1.00  0.00           C  
HETATM   30  C   UNL     1       1.816  -2.492   2.047  1.00  0.00           C  
HETATM   31  O   UNL     1       0.712  -4.457  -0.567  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.541  -4.360   0.145  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.213  -3.669   1.369  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.090  -5.755   0.450  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.119  -6.494   1.374  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.361  -5.637   1.092  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.249  -6.538  -0.855  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.540  -3.565  -0.656  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.408  -3.459  -1.857  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.580  -2.972  -0.037  1.00  0.00           N  
HETATM   41  C   UNL     1      -3.560  -2.315  -0.790  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.863  -2.246  -0.322  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.836  -1.590  -1.076  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.490  -1.007  -2.297  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.191  -1.082  -2.754  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.225  -1.727  -2.004  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.228  -1.512  -0.585  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.709  -2.445   0.029  1.00  0.00           O  
HETATM   49  N   UNL     1      -7.964  -0.407  -0.817  1.00  0.00           N  
HETATM   50  C   UNL     1      -9.376  -0.350  -0.414  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.592   0.897   0.449  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.106   2.131  -0.314  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.609   1.997  -0.603  1.00  0.00           C  
HETATM   54  C   UNL     1      -7.368   0.765  -1.473  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.348   3.365   0.516  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.163   4.373   0.035  1.00  0.00           C  
HETATM   57  C   UNL     1     -10.386   5.505   0.796  1.00  0.00           C  
HETATM   58  C   UNL     1     -11.274   6.603   0.271  1.00  0.00           C  
HETATM   59  N   UNL     1     -12.661   6.352   0.685  1.00  0.00           N  
HETATM   60  C   UNL     1      -9.793   5.630   2.039  1.00  0.00           C  
HETATM   61  C   UNL     1      -8.979   4.622   2.520  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.760   3.488   1.761  1.00  0.00           C  
HETATM   63  H   UNL     1       6.227   0.189   0.019  1.00  0.00           H  
HETATM   64  H   UNL     1       5.833   1.425   1.241  1.00  0.00           H  
HETATM   65  H   UNL     1       7.852   1.687  -1.035  1.00  0.00           H  
HETATM   66  H   UNL     1       6.294   2.537  -0.894  1.00  0.00           H  
HETATM   67  H   UNL     1       7.091   3.625   1.198  1.00  0.00           H  
HETATM   68  H   UNL     1       7.083   5.818   0.493  1.00  0.00           H  
HETATM   69  H   UNL     1       7.702   8.505  -1.933  1.00  0.00           H  
HETATM   70  H   UNL     1       6.696   7.969  -0.565  1.00  0.00           H  
HETATM   71  H   UNL     1       8.244   9.690   0.090  1.00  0.00           H  
HETATM   72  H   UNL     1       8.651   8.267   0.848  1.00  0.00           H  
HETATM   73  H   UNL     1       9.492   7.104  -2.783  1.00  0.00           H  
HETATM   74  H   UNL     1      10.350   4.811  -3.052  1.00  0.00           H  
HETATM   75  H   UNL     1       9.581   3.024  -1.543  1.00  0.00           H  
HETATM   76  H   UNL     1       9.705   2.198   0.528  1.00  0.00           H  
HETATM   77  H   UNL     1       9.495   3.419   1.806  1.00  0.00           H  
HETATM   78  H   UNL     1       7.871   1.987   2.968  1.00  0.00           H  
HETATM   79  H   UNL     1       9.360   1.053   2.674  1.00  0.00           H  
HETATM   80  H   UNL     1       8.859  -3.017   0.269  1.00  0.00           H  
HETATM   81  H   UNL     1       7.460  -4.664  -0.905  1.00  0.00           H  
HETATM   82  H   UNL     1       5.028  -4.339  -1.052  1.00  0.00           H  
HETATM   83  H   UNL     1       5.363  -0.704   1.172  1.00  0.00           H  
HETATM   84  H   UNL     1       3.283  -1.425  -0.011  1.00  0.00           H  
HETATM   85  H   UNL     1       1.451  -2.587  -2.264  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.795  -1.481   0.025  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.356  -0.937   1.662  1.00  0.00           H  
HETATM   88  H   UNL     1       0.736  -0.615   0.294  1.00  0.00           H  
HETATM   89  H   UNL     1       2.499  -1.694   1.756  1.00  0.00           H  
HETATM   90  H   UNL     1       1.345  -2.239   2.997  1.00  0.00           H  
HETATM   91  H   UNL     1       2.370  -3.425   2.154  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.006  -5.937   2.303  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.511  -7.488   1.592  1.00  0.00           H  
HETATM   94  H   UNL     1       0.850  -6.585   0.884  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.770  -6.484   1.316  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.268  -6.699  -1.304  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.715  -7.501  -0.646  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.876  -5.972  -1.544  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.649  -3.000   0.930  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.124  -2.698   0.623  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.242  -0.502  -2.886  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.926  -0.631  -3.699  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.209  -1.782  -2.367  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.007  -0.294  -1.301  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.629  -1.242   0.159  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.653   1.004   0.675  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.031   0.798   1.378  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.651   2.213  -1.254  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.258   2.887  -1.125  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.065   1.888   0.336  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.297   0.609  -1.599  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.836   0.909  -2.447  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.626   4.275  -0.936  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.943   7.561   0.672  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.218   6.627  -0.818  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.728   6.261   1.688  1.00  0.00           H  
HETATM  117  H   UNL     1     -13.276   7.075   0.345  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.964   6.516   2.632  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.516   4.720   3.491  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.124   2.701   2.137  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   17    1    1    3                                       
CONECT    3    2    4   16                                            
CONECT    4    3    5   63   64                                       
CONECT    5    4    6   65   66                                       
CONECT    6    5   15    7   67                                       
CONECT    7    6    8    8   14                                       
CONECT    8    7    7    9   68                                       
CONECT    9    8   10   12   12                                       
CONECT   10   11    9   69   70                                       
CONECT   11   10   71   72                                            
CONECT   12    9    9   13   73                                       
CONECT   13   14   14   12   74                                       
CONECT   14    7   13   13   75                                       
CONECT   15   16    6   76   77                                       
CONECT   16    3   15   78   79                                       
CONECT   17   18   18   21    2                                       
CONECT   18   19   17   17   80                                       
CONECT   19   20   20   18   81                                       
CONECT   20   19   19   22   82                                       
CONECT   21   22   22   17   83                                       
CONECT   22   20   23   21   21                                       
CONECT   23   24   22   84                                            
CONECT   24   25   25   26   23                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   31   28                                       
CONECT   27   26   85                                                 
CONECT   28   26   29   30   33                                       
CONECT   29   28   86   87   88                                       
CONECT   30   28   89   90   91                                       
CONECT   31   26   32                                                 
CONECT   32   31   38   33   34                                       
CONECT   33   28   32                                                 
CONECT   34   32   35   36   37                                       
CONECT   35   34   92   93   94                                       
CONECT   36   34   95                                                 
CONECT   37   34   96   97   98                                       
CONECT   38   39   39   40   32                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   99                                            
CONECT   41   46   46   42   40                                       
CONECT   42   43   43   41  100                                       
CONECT   43   44   47   42   42                                       
CONECT   44   45   45   43  101                                       
CONECT   45   44   44   46  102                                       
CONECT   46   45   41   41  103                                       
CONECT   47   49   43   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   54   50   47                                            
CONECT   50   51   49  104  105                                       
CONECT   51   52   50  106  107                                       
CONECT   52   55   53   51  108                                       
CONECT   53   52   54  109  110                                       
CONECT   54   53   49  111  112                                       
CONECT   55   62   62   56   52                                       
CONECT   56   57   57   55  113                                       
CONECT   57   60   58   56   56                                       
CONECT   58   59   57  114  115                                       
CONECT   59   58  116  117                                            
CONECT   60   61   61   57  118                                       
CONECT   61   60   60   62  119                                       
CONECT   62   61   55   55  120                                       
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   16                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   27                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   40                                                      
CONECT  100   42                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   53                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   54                                                      
CONECT  113   56                                                      
CONECT  114   58                                                      
CONECT  115   58                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   61                                                      
CONECT  120   62                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
