COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.971   1.666  -0.420  1.00  0.00           N  
HETATM    2  C   UNL     1     -10.118  -2.666   0.024  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.888   1.116   0.245  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.477  -1.567   0.546  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.962   2.490  -0.423  1.00  0.00           C  
HETATM    6  O   UNL     1     -11.556  -0.011   0.910  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.495  -0.064  -0.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.486  -0.298  -0.185  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.745   0.462   0.142  1.00  0.00           C  
HETATM   10  N   UNL     1     -10.733  -2.578  -1.122  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.268   0.534   0.223  1.00  0.00           C  
HETATM   12  O   UNL     1       1.528   1.440   1.396  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.990  -0.181  -0.221  1.00  0.00           C  
HETATM   14  O   UNL     1       5.349  -0.097  -0.705  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.773   0.651   0.187  1.00  0.00           C  
HETATM   16  N   UNL     1     -10.110  -3.857   0.710  1.00  0.00           N  
HETATM   17  N   UNL     1      -3.329   0.733   0.133  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.087   0.297  -0.156  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.935  -0.755  -0.741  1.00  0.00           O  
HETATM   20  C   UNL     1       0.187   3.365   0.082  1.00  0.00           C  
HETATM   21  C   UNL     1       0.113   4.740  -0.586  1.00  0.00           C  
HETATM   22  C   UNL     1       1.262   5.615  -0.081  1.00  0.00           C  
HETATM   23  C   UNL     1       1.497   0.664   0.464  1.00  0.00           C  
HETATM   24  C   UNL     1       2.755  -0.040   0.027  1.00  0.00           C  
HETATM   25  C   UNL     1       2.562  -1.553   0.148  1.00  0.00           C  
HETATM   26  C   UNL     1       3.792  -2.270  -0.413  1.00  0.00           C  
HETATM   27  C   UNL     1       3.598  -3.783  -0.292  1.00  0.00           C  
HETATM   28  C   UNL     1       4.828  -4.501  -0.852  1.00  0.00           C  
HETATM   29  C   UNL     1       5.135   0.312   0.416  1.00  0.00           C  
HETATM   30  C   UNL     1       6.282   0.743   1.293  1.00  0.00           C  
HETATM   31  C   UNL     1       7.579   0.569   0.545  1.00  0.00           C  
HETATM   32  C   UNL     1       8.266  -0.628   0.622  1.00  0.00           C  
HETATM   33  C   UNL     1       9.453  -0.790  -0.068  1.00  0.00           C  
HETATM   34  C   UNL     1      10.201  -2.095   0.016  1.00  0.00           C  
HETATM   35  C   UNL     1       9.952   0.245  -0.836  1.00  0.00           C  
HETATM   36  C   UNL     1       9.265   1.443  -0.913  1.00  0.00           C  
HETATM   37  C   UNL     1       8.079   1.604  -0.223  1.00  0.00           C  
HETATM   38  N   UNL     1       1.191   6.935  -0.723  1.00  0.00           N  
HETATM   39  N   UNL     1       0.336   0.432  -0.180  1.00  0.00           N  
HETATM   40  N   UNL     1       4.642  -5.953  -0.736  1.00  0.00           N  
HETATM   41  N   UNL     1       3.871   0.380   0.879  1.00  0.00           N  
HETATM   42  N   UNL     1      11.147  -2.045   1.139  1.00  0.00           N  
HETATM   43  H   UNL     1     -11.782   2.155  -0.209  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.321   2.046  -1.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.878   1.238   1.329  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.019  -1.633   1.399  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.882   2.374  -1.503  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.913   2.963  -0.177  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.442  -1.043   0.218  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.505  -0.186  -1.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.448  -0.496  -1.257  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.185  -3.353  -1.491  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.321   1.513  -0.253  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.258   0.656   1.306  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.937  -1.160   0.255  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.000  -0.303  -1.304  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.763   0.773   1.270  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.826   1.630  -0.289  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.653  -3.923   1.563  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.562  -4.632   0.342  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.451   1.574   0.600  1.00  0.00           H  
HETATM   62  H   UNL     1       0.108   3.482   1.163  1.00  0.00           H  
HETATM   63  H   UNL     1       1.138   2.893  -0.163  1.00  0.00           H  
HETATM   64  H   UNL     1       0.192   4.623  -1.667  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.838   5.212  -0.340  1.00  0.00           H  
HETATM   66  H   UNL     1       1.183   5.731   0.999  1.00  0.00           H  
HETATM   67  H   UNL     1       2.213   5.142  -0.327  1.00  0.00           H  
HETATM   68  H   UNL     1       2.974   0.217  -1.010  1.00  0.00           H  
HETATM   69  H   UNL     1       2.432  -1.819   1.197  1.00  0.00           H  
HETATM   70  H   UNL     1       1.678  -1.852  -0.416  1.00  0.00           H  
HETATM   71  H   UNL     1       3.921  -2.003  -1.461  1.00  0.00           H  
HETATM   72  H   UNL     1       4.675  -1.971   0.151  1.00  0.00           H  
HETATM   73  H   UNL     1       3.468  -4.050   0.757  1.00  0.00           H  
HETATM   74  H   UNL     1       2.714  -4.083  -0.855  1.00  0.00           H  
HETATM   75  H   UNL     1       4.958  -4.234  -1.901  1.00  0.00           H  
HETATM   76  H   UNL     1       5.712  -4.201  -0.289  1.00  0.00           H  
HETATM   77  H   UNL     1       6.158   1.791   1.565  1.00  0.00           H  
HETATM   78  H   UNL     1       6.299   0.133   2.196  1.00  0.00           H  
HETATM   79  H   UNL     1       7.875  -1.437   1.222  1.00  0.00           H  
HETATM   80  H   UNL     1       9.495  -2.910   0.171  1.00  0.00           H  
HETATM   81  H   UNL     1      10.748  -2.260  -0.913  1.00  0.00           H  
HETATM   82  H   UNL     1      10.879   0.119  -1.375  1.00  0.00           H  
HETATM   83  H   UNL     1       9.656   2.252  -1.513  1.00  0.00           H  
HETATM   84  H   UNL     1       7.540   2.538  -0.286  1.00  0.00           H  
HETATM   85  H   UNL     1       1.940   7.531  -0.406  1.00  0.00           H  
HETATM   86  H   UNL     1       1.198   6.849  -1.728  1.00  0.00           H  
HETATM   87  H   UNL     1       0.311  -0.189  -0.925  1.00  0.00           H  
HETATM   88  H   UNL     1       3.794  -6.247  -1.196  1.00  0.00           H  
HETATM   89  H   UNL     1       5.442  -6.450  -1.099  1.00  0.00           H  
HETATM   90  H   UNL     1       3.700   0.707   1.776  1.00  0.00           H  
HETATM   91  H   UNL     1      10.672  -1.829   2.002  1.00  0.00           H  
HETATM   92  H   UNL     1      11.662  -2.910   1.216  1.00  0.00           H  
CONECT    1    9   43   44                                            
CONECT    2   10   10    4   16                                       
CONECT    3   18   39    5   45                                       
CONECT    4    2    8   46                                            
CONECT    5    3   20   47   48                                       
CONECT    6    9    9                                                 
CONECT    7   15   17   49   50                                       
CONECT    8    4   11    9   51                                       
CONECT    9    6    6    8    1                                       
CONECT   10    2    2   52                                            
CONECT   11    8   13   53   54                                       
CONECT   12   23   23                                                 
CONECT   13   11   15   55   56                                       
CONECT   14   29   29                                                 
CONECT   15   13    7   57   58                                       
CONECT   16    2   59   60                                            
CONECT   17    7   18   61                                            
CONECT   18   17   19   19    3                                       
CONECT   19   18   18                                                 
CONECT   20    5   21   62   63                                       
CONECT   21   20   22   64   65                                       
CONECT   22   21   38   66   67                                       
CONECT   23   12   12   24   39                                       
CONECT   24   23   41   25   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   40   75   76                                       
CONECT   29   14   14   30   41                                       
CONECT   30   31   29   77   78                                       
CONECT   31   32   32   37   30                                       
CONECT   32   33   31   31   79                                       
CONECT   33   34   35   35   32                                       
CONECT   34   42   33   80   81                                       
CONECT   35   33   33   36   82                                       
CONECT   36   35   37   37   83                                       
CONECT   37   36   36   31   84                                       
CONECT   38   22   85   86                                            
CONECT   39   23    3   87                                            
CONECT   40   28   88   89                                            
CONECT   41   29   24   90                                            
CONECT   42   34   91   92                                            
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
