COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.043   0.942  -0.047  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.794  -2.299   2.228  1.00  0.00           N  
HETATM    3  CA  UNL     1       2.243  -0.074  -0.544  1.00  0.00           C  
HETATM    4  C   UNL     1       0.913  -0.065   0.165  1.00  0.00           C  
HETATM    5  C   UNL     1       0.242   2.156  -0.872  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.421   3.291  -0.061  1.00  0.00           C  
HETATM    7  CA  UNL     1      -1.331   1.082   0.488  1.00  0.00           C  
HETATM    8  CA  UNL     1      -4.590   0.013  -1.213  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.066  -2.171  -0.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.146  -2.797   1.951  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.456   2.585   0.839  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.452   4.634   2.187  1.00  0.00           C  
HETATM   13  C   UNL     1       4.535  -0.559   0.125  1.00  0.00           C  
HETATM   14  C   UNL     1       6.864  -0.961   0.719  1.00  0.00           C  
HETATM   15  C   UNL     1       7.293  -1.227  -0.726  1.00  0.00           C  
HETATM   16  C   UNL     1       3.446  -0.791  -2.613  1.00  0.00           C  
HETATM   17  C   UNL     1       1.564  -2.171  -1.721  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.213   1.257  -1.793  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.678  -0.852  -0.574  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.167  -3.115   0.440  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.168  -1.929   1.097  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.208   3.314   1.454  1.00  0.00           C  
HETATM   23  C   UNL     1       0.908   2.438   2.029  1.00  0.00           C  
HETATM   24  C   UNL     1       2.088  -0.746  -1.910  1.00  0.00           C  
HETATM   25  C   UNL     1       7.659  -1.868   1.661  1.00  0.00           C  
HETATM   26  C   UNL     1       7.135   0.503   1.070  1.00  0.00           C  
HETATM   27  C   UNL     1       1.099   0.053  -2.762  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.344   0.696  -0.559  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.605   0.389  -0.196  1.00  0.00           N  
HETATM   30  N   UNL     1       3.219  -0.817   0.257  1.00  0.00           N  
HETATM   31  N   UNL     1       5.433  -1.242   0.862  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.870   2.345  -1.398  1.00  0.00           O  
HETATM   33  O   UNL     1      -3.045  -1.476   1.041  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.024   0.660  -1.728  1.00  0.00           O  
HETATM   35  O   UNL     1       0.626  -0.965   0.927  1.00  0.00           O  
HETATM   36  O   UNL     1       4.913   0.290  -0.659  1.00  0.00           O  
HETATM   37  H   UNL     1      -4.403  -2.240   3.114  1.00  0.00           H  
HETATM   38  HA  UNL     1       2.589   0.951  -0.680  1.00  0.00           H  
HETATM   39  H   UNL     1       1.305   2.355  -1.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.247   2.042  -1.839  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.652   4.218  -0.585  1.00  0.00           H  
HETATM   42  HA  UNL     1      -1.456   0.471   1.381  1.00  0.00           H  
HETATM   43  HA  UNL     1      -4.096  -0.550  -2.005  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.512  -2.650  -0.903  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.342  -3.700   2.530  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.886  -2.031   2.187  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.453   2.994   1.005  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.129   4.465   3.024  1.00  0.00           H  
HETATM   49  H   UNL     1       0.495   5.024   2.559  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.897   5.354   1.500  1.00  0.00           H  
HETATM   51  H   UNL     1       8.358  -1.018  -0.833  1.00  0.00           H  
HETATM   52  H   UNL     1       7.101  -2.270  -0.977  1.00  0.00           H  
HETATM   53  H   UNL     1       6.727  -0.581  -1.398  1.00  0.00           H  
HETATM   54  H   UNL     1       4.150  -1.360  -2.007  1.00  0.00           H  
HETATM   55  H   UNL     1       3.336  -1.269  -3.586  1.00  0.00           H  
HETATM   56  H   UNL     1       3.820   0.224  -2.748  1.00  0.00           H  
HETATM   57  H   UNL     1       0.596  -2.138  -1.220  1.00  0.00           H  
HETATM   58  H   UNL     1       1.453  -2.649  -2.694  1.00  0.00           H  
HETATM   59  H   UNL     1       2.268  -2.740  -1.115  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.966   1.174  -2.563  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.111  -0.324   0.275  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.456  -1.058  -1.309  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.135  -2.875   0.000  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.907  -4.159   0.261  1.00  0.00           H  
HETATM   65  H   UNL     1       1.306   1.796   1.243  1.00  0.00           H  
HETATM   66  H   UNL     1       1.704   3.072   2.418  1.00  0.00           H  
HETATM   67  H   UNL     1       0.508   1.822   2.834  1.00  0.00           H  
HETATM   68  H   UNL     1       7.353  -1.679   2.690  1.00  0.00           H  
HETATM   69  H   UNL     1       7.466  -2.911   1.410  1.00  0.00           H  
HETATM   70  H   UNL     1       8.723  -1.659   1.554  1.00  0.00           H  
HETATM   71  H   UNL     1       6.569   1.148   0.399  1.00  0.00           H  
HETATM   72  H   UNL     1       6.829   0.692   2.099  1.00  0.00           H  
HETATM   73  H   UNL     1       8.199   0.711   0.964  1.00  0.00           H  
HETATM   74  H   UNL     1       1.491   1.056  -2.928  1.00  0.00           H  
HETATM   75  H   UNL     1       0.959  -0.446  -3.720  1.00  0.00           H  
HETATM   76  H   UNL     1       0.143   0.118  -2.243  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.861   0.418   0.740  1.00  0.00           H  
HETATM   78  H   UNL     1       2.918  -1.494   0.883  1.00  0.00           H  
HETATM   79  H   UNL     1       5.132  -1.919   1.488  1.00  0.00           H  
CONECT    1    7    5    4                                            
CONECT    2   21   10   37                                            
CONECT    3    4   24   30   38                                       
CONECT    4    1   35   35    3                                       
CONECT    5    6    1   39   40                                       
CONECT    6   11   22    5   41                                       
CONECT    7   11   28    1   42                                       
CONECT    8   18   29   19   43                                       
CONECT    9   19   20   21   44                                       
CONECT   10   20    2   45   46                                       
CONECT   11   22    6    7   47                                       
CONECT   12   22   48   49   50                                       
CONECT   13   30   36   36   31                                       
CONECT   14   25   31   26   15                                       
CONECT   15   14   51   52   53                                       
CONECT   16   24   54   55   56                                       
CONECT   17   24   57   58   59                                       
CONECT   18   32   32    8   60                                       
CONECT   19    8    9   61   62                                       
CONECT   20    9   10   63   64                                       
CONECT   21    9   33   33    2                                       
CONECT   22   12   11    6   23                                       
CONECT   23   22   65   66   67                                       
CONECT   24   27    3   17   16                                       
CONECT   25   14   68   69   70                                       
CONECT   26   14   71   72   73                                       
CONECT   27   24   74   75   76                                       
CONECT   28   29   34   34    7                                       
CONECT   29    8   28   77                                            
CONECT   30    3   13   78                                            
CONECT   31   13   14   79                                            
CONECT   32   18   18                                                 
CONECT   33   21   21                                                 
CONECT   34   28   28                                                 
CONECT   35    4    4                                                 
CONECT   36   13   13                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
