COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.463  -4.702   1.161  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.748  -2.688   0.537  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.021  -1.890   0.645  1.00  0.00           C  
HETATM    4  N   UNL     1       5.172  -2.971   2.009  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.135  -2.599  -0.128  1.00  0.00           C  
HETATM    6  O   UNL     1       4.927   1.395   1.012  1.00  0.00           O  
HETATM    7  C   UNL     1       3.260  -3.372   0.009  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.282  -3.672  -0.465  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.488  -4.590  -0.264  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.724  -3.783  -0.272  1.00  0.00           N  
HETATM   11  C   UNL     1       0.945  -4.291   0.207  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.760  -2.357   1.157  1.00  0.00           O  
HETATM   13  C   UNL     1       2.158  -4.152  -0.713  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.852   0.286   2.152  1.00  0.00           O  
HETATM   15  C   UNL     1       5.387  -3.969   1.089  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.808  -0.545   0.076  1.00  0.00           N  
HETATM   17  N   UNL     1       4.469  -4.195   0.091  1.00  0.00           N  
HETATM   18  C   UNL     1       3.561  -2.110  -0.757  1.00  0.00           C  
HETATM   19  O   UNL     1       3.382  -2.059  -1.956  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.456  -1.856   0.084  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.569  -2.566  -0.688  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.890  -1.823  -0.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.764   0.490   0.960  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.604   1.893   0.435  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.935   1.853  -0.940  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.492   1.366  -0.791  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.784   1.447  -2.145  1.00  0.00           C  
HETATM   28  C   UNL     1       0.659   0.961  -1.995  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.984   3.630   0.804  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.085   4.460   1.684  1.00  0.00           C  
HETATM   31  C   UNL     1       0.144   4.858   0.907  1.00  0.00           C  
HETATM   32  C   UNL     1       1.306   4.120   1.030  1.00  0.00           C  
HETATM   33  C   UNL     1       2.434   4.482   0.318  1.00  0.00           C  
HETATM   34  C   UNL     1       3.699   3.676   0.455  1.00  0.00           C  
HETATM   35  C   UNL     1       4.309   1.392  -0.032  1.00  0.00           C  
HETATM   36  C   UNL     1       4.303   0.170  -0.912  1.00  0.00           C  
HETATM   37  C   UNL     1       2.400   5.583  -0.517  1.00  0.00           C  
HETATM   38  C   UNL     1       1.237   6.321  -0.641  1.00  0.00           C  
HETATM   39  C   UNL     1       0.110   5.959   0.072  1.00  0.00           C  
HETATM   40  N   UNL     1       1.339   1.039  -3.295  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.762   2.664   1.377  1.00  0.00           N  
HETATM   42  N   UNL     1       3.612   2.493  -0.424  1.00  0.00           N  
HETATM   43  N   UNL     1       4.041  -1.025  -0.080  1.00  0.00           N  
HETATM   44  O   UNL     1      -2.017   3.817  -0.394  1.00  0.00           O  
HETATM   45  H   UNL     1       7.111  -4.543   1.865  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.306  -1.799   1.693  1.00  0.00           H  
HETATM   47  H   UNL     1       5.820  -2.812   2.713  1.00  0.00           H  
HETATM   48  H   UNL     1       4.371  -2.426   1.955  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.891  -2.610  -1.190  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.232  -3.623   0.234  1.00  0.00           H  
HETATM   51  H   UNL     1       2.925  -3.116   1.014  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.091  -3.552  -1.532  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.489  -2.698  -0.021  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.527  -5.323  -1.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.397  -5.106   0.692  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.483  -4.022  -0.827  1.00  0.00           H  
HETATM   57  H   UNL     1       1.142  -3.776   1.147  1.00  0.00           H  
HETATM   58  H   UNL     1       0.758  -5.346   0.403  1.00  0.00           H  
HETATM   59  H   UNL     1       1.869  -3.618  -1.618  1.00  0.00           H  
HETATM   60  H   UNL     1       2.529  -5.142  -0.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.704  -0.406  -0.878  1.00  0.00           H  
HETATM   62  H   UNL     1       4.621  -4.899  -0.558  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.700  -1.845   1.146  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.358  -0.832  -0.277  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.325  -2.577  -1.750  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.667  -3.590  -0.327  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.684  -2.328  -1.027  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.135  -1.812   0.586  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.793  -0.799  -0.838  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.583   2.365   0.351  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.483   1.172  -1.591  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.938   2.852  -1.375  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.970   1.994  -0.069  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.491   0.333  -0.442  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.306   0.820  -2.866  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.785   2.480  -2.494  1.00  0.00           H  
HETATM   77  H   UNL     1       1.181   1.589  -1.274  1.00  0.00           H  
HETATM   78  H   UNL     1       0.660  -0.072  -1.646  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.617   5.355   2.007  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.790   3.877   2.556  1.00  0.00           H  
HETATM   81  H   UNL     1       1.332   3.260   1.683  1.00  0.00           H  
HETATM   82  H   UNL     1       4.554   4.286   0.162  1.00  0.00           H  
HETATM   83  H   UNL     1       3.816   3.354   1.490  1.00  0.00           H  
HETATM   84  H   UNL     1       3.522   0.267  -1.666  1.00  0.00           H  
HETATM   85  H   UNL     1       5.272   0.068  -1.401  1.00  0.00           H  
HETATM   86  H   UNL     1       3.281   5.867  -1.074  1.00  0.00           H  
HETATM   87  H   UNL     1       1.210   7.181  -1.294  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.798   6.536  -0.023  1.00  0.00           H  
HETATM   89  H   UNL     1       2.294   0.722  -3.223  1.00  0.00           H  
HETATM   90  H   UNL     1       0.837   0.517  -3.998  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.763   2.496   2.332  1.00  0.00           H  
HETATM   92  H   UNL     1       3.085   2.500  -1.238  1.00  0.00           H  
HETATM   93  H   UNL     1       4.197  -1.037   0.878  1.00  0.00           H  
CONECT    1   15   15   45                                            
CONECT    2    3   12   12   10                                       
CONECT    3    5   16    2   46                                       
CONECT    4   15   47   48                                            
CONECT    5   20    3   49   50                                       
CONECT    6   35   35                                                 
CONECT    7   18   17   13   51                                       
CONECT    8   11    9   52   53                                       
CONECT    9   10    8   54   55                                       
CONECT   10    2    9   56                                            
CONECT   11   13    8   57   58                                       
CONECT   12    2    2                                                 
CONECT   13    7   11   59   60                                       
CONECT   14   23   23                                                 
CONECT   15    1    1   17    4                                       
CONECT   16    3   23   61                                            
CONECT   17    7   15   62                                            
CONECT   18   19   19   43    7                                       
CONECT   19   18   18                                                 
CONECT   20   21    5   63   64                                       
CONECT   21   22   20   65   66                                       
CONECT   22   21   67   68   69                                       
CONECT   23   24   16   14   14                                       
CONECT   24   41   25   23   70                                       
CONECT   25   26   24   71   72                                       
CONECT   26   27   25   73   74                                       
CONECT   27   28   26   75   76                                       
CONECT   28   40   27   77   78                                       
CONECT   29   30   41   44   44                                       
CONECT   30   31   29   79   80                                       
CONECT   31   30   39   39   32                                       
CONECT   32   31   33   33   81                                       
CONECT   33   32   32   37   34                                       
CONECT   34   33   42   82   83                                       
CONECT   35    6    6   42   36                                       
CONECT   36   35   43   84   85                                       
CONECT   37   38   38   33   86                                       
CONECT   38   39   37   37   87                                       
CONECT   39   31   31   38   88                                       
CONECT   40   28   89   90                                            
CONECT   41   29   24   91                                            
CONECT   42   34   35   92                                            
CONECT   43   36   18   93                                            
CONECT   44   29   29                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
