COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C1* UNL     1       7.678   1.043  -0.328  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.120  -1.961  -1.415  1.00  0.00           C  
HETATM    3  C5* UNL     1      10.468   1.000   2.020  1.00  0.00           C  
HETATM    4  C   UNL     1       5.312   0.594  -1.109  1.00  0.00           C  
HETATM    5  C   UNL     1       0.631  -0.710  -1.521  1.00  0.00           C  
HETATM    6  C   UNL     1       4.181   0.022  -0.504  1.00  0.00           C  
HETATM    7  C   UNL     1       5.782  -0.016   0.958  1.00  0.00           C  
HETATM    8  C   UNL     1       4.100   0.912  -3.035  1.00  0.00           C  
HETATM    9  C   UNL     1       2.999  -0.069  -1.260  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.479  -1.359  -0.692  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.756  -1.448  -1.531  1.00  0.00           C  
HETATM   12  N   UNL     1       6.306   0.557  -0.163  1.00  0.00           N  
HETATM   13  N   UNL     1       4.535  -0.329   0.755  1.00  0.00           N  
HETATM   14  C2* UNL     1       8.559  -0.044  -0.982  1.00  0.00           C  
HETATM   15  N   UNL     1       5.227   1.022  -2.364  1.00  0.00           N  
HETATM   16  C4* UNL     1       9.710   1.267   0.718  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.503  -3.473  -0.433  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.400  -3.967   0.703  1.00  0.00           C  
HETATM   19  CA  UNL     1      -2.979  -5.381   1.108  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.780  -5.821   2.306  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.652  -0.535  -1.269  1.00  0.00           C  
HETATM   22  C3* UNL     1       9.926   0.106  -0.278  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.982  -0.366  -2.048  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.649   0.813  -1.300  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.954   0.830   0.075  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.766   3.272   0.717  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.710   4.198   0.719  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.915   2.316  -0.007  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.174   4.902   1.517  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.977   5.508   1.153  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.970   3.664   1.117  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.213   5.806   1.541  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.977   6.464   1.178  1.00  0.00           N  
HETATM   34  N   UNL     1       3.009   0.390  -2.507  1.00  0.00           N  
HETATM   35  N   UNL     1       1.853  -0.624  -0.718  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.822  -2.071  -0.735  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.224  -6.304  -0.009  1.00  0.00           N  
HETATM   38  N   UNL     1      -5.235   2.094   0.255  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.609   3.551   0.266  1.00  0.00           N  
HETATM   40  O4* UNL     1       8.286   1.285   0.960  1.00  0.00           O  
HETATM   41  O5* UNL     1      10.351   2.134   2.881  1.00  0.00           O  
HETATM   42  O3* UNL     1      10.266  -1.094   0.418  1.00  0.00           O  
HETATM   43  O2* UNL     1       8.013  -1.343  -0.742  1.00  0.00           O  
HETATM   44  O   UNL     1      -4.733  -6.549   2.162  1.00  0.00           O  
HETATM   45  OXT UNL     1      -3.434  -5.403   3.534  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.028  -0.270   0.100  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.781  -1.547  -1.954  1.00  0.00           O  
HETATM   48  O   UNL     1      -8.051   0.581  -1.148  1.00  0.00           O  
HETATM   49  H1* UNL     1       7.688   1.952  -0.929  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.825  -2.661  -0.966  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.997  -2.197  -2.472  1.00  0.00           H  
HETATM   52 H5*1 UNL     1      10.046   0.124   2.513  1.00  0.00           H  
HETATM   53 H5*2 UNL     1      11.520   0.820   1.797  1.00  0.00           H  
HETATM   54  H   UNL     1       0.821  -1.313  -2.409  1.00  0.00           H  
HETATM   55  H   UNL     1       0.322   0.292  -1.821  1.00  0.00           H  
HETATM   56  H   UNL     1       6.322  -0.185   1.877  1.00  0.00           H  
HETATM   57  H   UNL     1       4.064   1.274  -4.052  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.171  -2.360  -0.392  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.670  -0.756   0.196  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.065  -0.447  -1.831  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.566  -2.051  -2.418  1.00  0.00           H  
HETATM   62  H2* UNL     1       8.658   0.137  -2.052  1.00  0.00           H  
HETATM   63  H4* UNL     1      10.033   2.210   0.278  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.458  -3.551  -0.131  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.671  -4.083  -1.321  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.302  -3.300   1.560  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.437  -3.979   0.369  1.00  0.00           H  
HETATM   68  HA  UNL     1      -1.918  -5.387   1.358  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.912   0.187  -1.613  1.00  0.00           H  
HETATM   70  H3* UNL     1      10.701   0.363  -1.001  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.792  -0.109  -3.090  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.474   1.750  -1.830  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.694   0.709   0.866  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.226   1.575  -0.384  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.165   5.188   1.837  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.078   6.233   0.893  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.173   7.364   1.480  1.00  0.00           H  
HETATM   78  H   UNL     1       1.859  -0.956   0.193  1.00  0.00           H  
HETATM   79  H1  UNL     1      -4.201  -6.316  -0.260  1.00  0.00           H  
HETATM   80  H2  UNL     1      -2.649  -6.068  -0.805  1.00  0.00           H  
HETATM   81  H5* UNL     1      10.808   2.035   3.727  1.00  0.00           H  
HETATM   82  H3* UNL     1      11.116  -1.055   0.878  1.00  0.00           H  
HETATM   83  H2* UNL     1       8.526  -2.064  -1.131  1.00  0.00           H  
HETATM   84  HXT UNL     1      -3.978  -5.711   4.272  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.623  -1.491  -2.426  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.529   0.503  -1.985  1.00  0.00           H  
CONECT    1   40   12   14   49                                       
CONECT    2   36   21   50   51                                       
CONECT    3   16   41   52   53                                       
CONECT    4   15   15    6   12                                       
CONECT    5   35   10   54   55                                       
CONECT    6    9    9    4   13                                       
CONECT    7   12   13   13   56                                       
CONECT    8   34   34   15   57                                       
CONECT    9   34   35    6    6                                       
CONECT   10    5   11   58   59                                       
CONECT   11   10   36   60   61                                       
CONECT   12    4    1    7                                            
CONECT   13    6    7    7                                            
CONECT   14   43    1   22   62                                       
CONECT   15    8    4    4                                            
CONECT   16   40    3   22   63                                       
CONECT   17   36   18   64   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   18   37   20   68                                       
CONECT   20   19   44   44   45                                       
CONECT   21   46    2   23   69                                       
CONECT   22   42   14   16   70                                       
CONECT   23   21   24   47   71                                       
CONECT   24   25   23   48   72                                       
CONECT   25   38   46   24   73                                       
CONECT   26   31   31   27   38                                       
CONECT   27   30   30   26   39                                       
CONECT   28   39   39   38   74                                       
CONECT   29   32   32   31   75                                       
CONECT   30   32   33   27   27                                       
CONECT   31   29   26   26                                            
CONECT   32   29   29   30                                            
CONECT   33   30   76   77                                            
CONECT   34    8    8    9                                            
CONECT   35    9    5   78                                            
CONECT   36   11    2   17                                            
CONECT   37   19   79   80                                            
CONECT   38   26   28   25                                            
CONECT   39   27   28   28                                            
CONECT   40    1   16                                                 
CONECT   41    3   81                                                 
CONECT   42   22   82                                                 
CONECT   43   14   83                                                 
CONECT   44   20   20                                                 
CONECT   45   20   84                                                 
CONECT   46   25   21                                                 
CONECT   47   23   85                                                 
CONECT   48   24   86                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   35                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   47                                                      
CONECT   86   48                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
