COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.482  -0.819  -0.015  1.00  0.00           N  
HETATM    2  C   UNL     1       5.453  -1.003   0.835  1.00  0.00           C  
HETATM    3  O   UNL     1       5.498  -1.893   1.661  1.00  0.00           O  
HETATM    4  C   UNL     1       7.828  -1.316   0.310  1.00  0.00           C  
HETATM    5  C   UNL     1       8.344  -2.136  -0.877  1.00  0.00           C  
HETATM    6  N   UNL     1       8.259  -1.329  -2.101  1.00  0.00           N  
HETATM    7  C   UNL     1       8.902  -2.014  -3.230  1.00  0.00           C  
HETATM    8  C   UNL     1       6.866  -0.986  -2.417  1.00  0.00           C  
HETATM    9  C   UNL     1       6.288  -0.123  -1.296  1.00  0.00           C  
HETATM   10  C   UNL     1       4.376   1.023  -0.053  1.00  0.00           C  
HETATM   11  C   UNL     1       3.287   0.883  -1.118  1.00  0.00           C  
HETATM   12  N   UNL     1       4.373  -0.198   0.770  1.00  0.00           N  
HETATM   13  C   UNL     1       3.145  -0.505   1.518  1.00  0.00           C  
HETATM   14  C   UNL     1       1.957  -0.250   0.630  1.00  0.00           C  
HETATM   15  O   UNL     1       0.873  -0.663   0.981  1.00  0.00           O  
HETATM   16  C   UNL     1       3.158  -1.974   1.946  1.00  0.00           C  
HETATM   17  C   UNL     1       1.877  -2.297   2.671  1.00  0.00           C  
HETATM   18  C   UNL     1       0.843  -2.923   2.000  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.332  -3.220   2.664  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.473  -2.892   4.000  1.00  0.00           C  
HETATM   21  C   UNL     1       0.562  -2.267   4.671  1.00  0.00           C  
HETATM   22  C   UNL     1       1.738  -1.974   4.007  1.00  0.00           C  
HETATM   23  C   UNL     1       0.799   0.675  -1.253  1.00  0.00           C  
HETATM   24  N   UNL     1       2.043   0.409  -0.527  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.117   1.506  -0.392  1.00  0.00           C  
HETATM   26  O   UNL     1       0.234   1.842   0.719  1.00  0.00           O  
HETATM   27  C   UNL     1       0.115  -0.650  -1.596  1.00  0.00           C  
HETATM   28  C   UNL     1       0.991  -1.439  -2.570  1.00  0.00           C  
HETATM   29  C   UNL     1       0.307  -2.764  -2.913  1.00  0.00           C  
HETATM   30  C   UNL     1       1.183  -3.554  -3.887  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.669   2.452  -0.447  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.218   2.682  -0.019  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.868   4.162  -0.181  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.460   4.416   0.364  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.061   5.867   0.089  1.00  0.00           C  
HETATM   36  C   UNL     1       1.346   6.120   0.634  1.00  0.00           C  
HETATM   37  C   UNL     1       1.363   5.863   2.142  1.00  0.00           C  
HETATM   38  C   UNL     1       0.964   4.412   2.416  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.443   4.159   1.872  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.328   1.875  -0.856  1.00  0.00           N  
HETATM   41  O   UNL     1      -3.827   2.832  -1.816  1.00  0.00           O  
HETATM   42  C   UNL     1      -4.020   0.971  -0.285  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.511   0.767  -0.561  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.889  -0.658  -0.249  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.024  -1.489  -0.071  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.803   1.062  -2.033  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.012   0.093  -2.914  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.299   0.890  -2.301  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.556  -2.370   0.228  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.188  -1.008  -0.169  1.00  0.00           N  
HETATM   51  C   UNL     1      -9.080  -2.503   0.240  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.464  -3.924   0.655  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.988  -4.058   0.667  1.00  0.00           C  
HETATM   54  H   UNL     1       8.495  -0.473   0.490  1.00  0.00           H  
HETATM   55  H   UNL     1       7.781  -1.945   1.198  1.00  0.00           H  
HETATM   56  H   UNL     1       9.381  -2.420  -0.699  1.00  0.00           H  
HETATM   57  H   UNL     1       7.736  -3.034  -0.990  1.00  0.00           H  
HETATM   58  H   UNL     1       8.405  -2.969  -3.405  1.00  0.00           H  
HETATM   59  H   UNL     1       8.824  -1.395  -4.123  1.00  0.00           H  
HETATM   60  H   UNL     1       9.952  -2.189  -2.998  1.00  0.00           H  
HETATM   61  H   UNL     1       6.831  -0.435  -3.357  1.00  0.00           H  
HETATM   62  H   UNL     1       6.278  -1.900  -2.509  1.00  0.00           H  
HETATM   63  H   UNL     1       5.223   0.034  -1.470  1.00  0.00           H  
HETATM   64  H   UNL     1       6.804   0.836  -1.274  1.00  0.00           H  
HETATM   65  H   UNL     1       5.347   1.141  -0.533  1.00  0.00           H  
HETATM   66  H   UNL     1       4.168   1.889   0.574  1.00  0.00           H  
HETATM   67  H   UNL     1       3.116   1.852  -1.586  1.00  0.00           H  
HETATM   68  H   UNL     1       3.616   0.172  -1.877  1.00  0.00           H  
HETATM   69  H   UNL     1       3.085   0.134   2.399  1.00  0.00           H  
HETATM   70  H   UNL     1       3.247  -2.608   1.064  1.00  0.00           H  
HETATM   71  H   UNL     1       4.005  -2.151   2.609  1.00  0.00           H  
HETATM   72  H   UNL     1       0.953  -3.179   0.956  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.141  -3.708   2.140  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.391  -3.123   4.519  1.00  0.00           H  
HETATM   75  H   UNL     1       0.451  -2.010   5.714  1.00  0.00           H  
HETATM   76  H   UNL     1       2.548  -1.489   4.533  1.00  0.00           H  
HETATM   77  H   UNL     1       1.023   1.217  -2.172  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.029  -1.230  -0.684  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.853  -0.451  -2.056  1.00  0.00           H  
HETATM   80  H   UNL     1       1.135  -0.859  -3.481  1.00  0.00           H  
HETATM   81  H   UNL     1       1.959  -1.638  -2.109  1.00  0.00           H  
HETATM   82  H   UNL     1       0.163  -3.345  -2.001  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.660  -2.565  -3.374  1.00  0.00           H  
HETATM   84  H   UNL     1       1.327  -2.973  -4.798  1.00  0.00           H  
HETATM   85  H   UNL     1       2.151  -3.753  -3.426  1.00  0.00           H  
HETATM   86  H   UNL     1       0.696  -4.497  -4.131  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.332   3.053   0.175  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.098   2.392   1.025  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.902   4.431  -1.237  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.586   4.769   0.372  1.00  0.00           H  
HETATM   91  H   UNL     1       0.245   3.746  -0.127  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.073   6.050  -0.985  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.767   6.537   0.580  1.00  0.00           H  
HETATM   94  H   UNL     1       2.052   5.450   0.143  1.00  0.00           H  
HETATM   95  H   UNL     1       1.631   7.154   0.438  1.00  0.00           H  
HETATM   96  H   UNL     1       2.366   6.043   2.530  1.00  0.00           H  
HETATM   97  H   UNL     1       0.658   6.533   2.633  1.00  0.00           H  
HETATM   98  H   UNL     1       1.670   3.742   1.925  1.00  0.00           H  
HETATM   99  H   UNL     1       0.976   4.228   3.491  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.149   4.829   2.363  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.728   3.125   2.067  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.609   1.606  -1.745  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.321   2.289  -2.436  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.436   0.380  -0.991  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.791   0.653   0.732  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.092   1.443   0.067  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.508   2.086  -2.264  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.365  -0.924  -2.744  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.153   0.357  -3.962  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.953   0.156  -2.663  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.868   1.452  -1.561  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.535   1.260  -3.299  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.561  -0.167  -2.234  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.134  -3.082  -0.481  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.165  -2.575   1.225  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.879  -0.359  -0.374  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.501  -1.791   0.950  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.470  -2.297  -0.756  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.043  -4.636  -0.055  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.074  -4.130   1.651  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.262  -5.070   0.962  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.410  -3.346   1.376  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.379  -3.852  -0.330  1.00  0.00           H  
CONECT    1    2    4    9                                            
CONECT    2    1    3    3   12                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7    8                                            
CONECT    7    6   58   59   60                                       
CONECT    8    6    9   61   62                                       
CONECT    9    1    8   63   64                                       
CONECT   10   11   12   65   66                                       
CONECT   11   10   67   68   24                                       
CONECT   12   10   13    2                                            
CONECT   13   12   14   16   69                                       
CONECT   14   13   15   15   24                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   70   71                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   72                                       
CONECT   19   18   20   20   73                                       
CONECT   20   19   19   21   74                                       
CONECT   21   20   22   22   75                                       
CONECT   22   17   21   21   76                                       
CONECT   23   24   25   27   77                                       
CONECT   24   11   23   14                                            
CONECT   25   23   26   26   40                                       
CONECT   26   25   25                                                 
CONECT   27   23   28   78   79                                       
CONECT   28   27   29   80   81                                       
CONECT   29   28   30   82   83                                       
CONECT   30   29   84   85   86                                       
CONECT   31   32   41   87   42                                       
CONECT   32   31   33   40   88                                       
CONECT   33   32   34   89   90                                       
CONECT   34   33   35   39   91                                       
CONECT   35   34   36   92   93                                       
CONECT   36   35   37   94   95                                       
CONECT   37   36   38   96   97                                       
CONECT   38   37   39   98   99                                       
CONECT   39   34   38  100  101                                       
CONECT   40   32  102   25                                            
CONECT   41   31  103                                                 
CONECT   42   43  104  105   31                                       
CONECT   43   42   44   46  106                                       
CONECT   44   43   45   45   50                                       
CONECT   45   44   44                                                 
CONECT   46   43   47   48  107                                       
CONECT   47   46  108  109  110                                       
CONECT   48   46  111  112  113                                       
CONECT   49   50   51  114  115                                       
CONECT   50   49  116   44                                            
CONECT   51   49   52  117  118                                       
CONECT   52   51   53  119  120                                       
CONECT   53   52  121  122  123                                       
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   52                                                      
CONECT  120   52                                                      
CONECT  121   53                                                      
CONECT  122   53                                                      
CONECT  123   53                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
