COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.019  -0.056  -0.097  1.00  0.00           C  
HETATM    2  C   UNL     1       5.002  -2.535  -0.090  1.00  0.00           C  
HETATM    3  C   UNL     1       2.735  -3.568   0.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.757  -3.913  -0.991  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.225  -3.914  -1.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.305  -3.895  -2.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.605  -1.727   0.204  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.268  -0.470   0.709  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.964   6.259  -0.434  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.339   5.119  -0.904  1.00  0.00           C  
HETATM   11  C   UNL     1       1.153   5.112  -1.114  1.00  0.00           C  
HETATM   12  C   UNL     1       3.037   3.644  -0.769  1.00  0.00           C  
HETATM   13  C   UNL     1       3.670   2.389  -0.225  1.00  0.00           C  
HETATM   14  C   UNL     1       5.098   2.265  -0.760  1.00  0.00           C  
HETATM   15  C   UNL     1       5.624  -1.284   0.533  1.00  0.00           C  
HETATM   16  C   UNL     1       3.980  -3.134   0.879  1.00  0.00           C  
HETATM   17  C   UNL     1       2.039  -4.706   0.852  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.233  -3.920   0.967  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.677  -3.932   0.537  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.772  -3.896  -3.387  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.630  -0.816   1.314  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.245   0.439   1.936  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.607   0.093   2.542  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.222   1.348   3.164  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.093   1.758  -0.189  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.264   2.765  -1.297  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.453   3.996  -0.991  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.084   3.987  -1.181  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.077   5.137  -0.521  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.334   6.267  -0.242  1.00  0.00           C  
HETATM   31  C   UNL     1       7.907  -0.604   1.148  1.00  0.00           C  
HETATM   32  N   UNL     1       1.711   3.865  -0.555  1.00  0.00           N  
HETATM   33  N   UNL     1       5.744   1.096  -0.132  1.00  0.00           N  
HETATM   34  N   UNL     1       0.638  -4.793   0.380  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.849  -3.877  -4.854  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.345  -2.734   1.083  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.530   1.016   3.745  1.00  0.00           N  
HETATM   38  N   UNL     1      -3.448   0.460  -0.428  1.00  0.00           N  
HETATM   39  N   UNL     1       7.070  -1.290   0.299  1.00  0.00           N  
HETATM   40  N   UNL     1       7.412   0.052   2.161  1.00  0.00           N  
HETATM   41  N   UNL     1       9.264  -0.609   0.929  1.00  0.00           N  
HETATM   42  O   UNL     1       3.701   4.447  -1.389  1.00  0.00           O  
HETATM   43  O   UNL     1       3.903  -0.094  -0.570  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.309  -1.839  -0.966  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.651   2.091   0.890  1.00  0.00           O  
HETATM   46  O   UNL     1       0.149  -3.149   1.821  1.00  0.00           O  
HETATM   47  H   UNL     1       4.505  -2.269  -1.023  1.00  0.00           H  
HETATM   48  H   UNL     1       5.784  -3.268  -0.292  1.00  0.00           H  
HETATM   49  H   UNL     1       2.053  -2.723   0.010  1.00  0.00           H  
HETATM   50  H   UNL     1       3.027  -3.910  -0.889  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.259  -4.795  -1.392  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.268  -3.015  -1.369  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.714  -4.812  -1.047  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.723  -3.032  -1.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.815  -2.997  -3.331  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.806  -4.777  -3.354  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.639  -0.004   1.467  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.383   7.143  -0.216  1.00  0.00           H  
HETATM   59  H   UNL     1       1.370   5.163  -2.181  1.00  0.00           H  
HETATM   60  H   UNL     1       1.596   5.969  -0.609  1.00  0.00           H  
HETATM   61  H   UNL     1       3.693   2.437   0.864  1.00  0.00           H  
HETATM   62  H   UNL     1       3.087   1.523  -0.538  1.00  0.00           H  
HETATM   63  H   UNL     1       5.071   2.130  -1.842  1.00  0.00           H  
HETATM   64  H   UNL     1       5.659   3.167  -0.517  1.00  0.00           H  
HETATM   65  H   UNL     1       5.429  -1.276   1.605  1.00  0.00           H  
HETATM   66  H   UNL     1       4.417  -3.998   1.380  1.00  0.00           H  
HETATM   67  H   UNL     1       3.703  -2.386   1.622  1.00  0.00           H  
HETATM   68  H   UNL     1       2.552  -5.646   0.649  1.00  0.00           H  
HETATM   69  H   UNL     1       2.055  -4.504   1.923  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.165  -4.830   0.917  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.262  -4.793  -3.009  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.270  -3.014  -2.986  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.289  -1.195   0.533  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.503  -1.578   2.083  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.586   0.817   2.717  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.372   1.201   1.167  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.266  -0.286   1.761  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.480  -0.669   3.311  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.563   1.727   3.945  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.350   2.110   2.395  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.925   2.331  -2.237  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.317   3.036  -1.382  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.595   3.096  -1.547  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.147   5.143  -0.371  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.822   7.158   0.126  1.00  0.00           H  
HETATM   86  H   UNL     1       1.162   3.237  -0.060  1.00  0.00           H  
HETATM   87  H   UNL     1       6.639   1.146   0.238  1.00  0.00           H  
HETATM   88  H   UNL     1       0.358  -5.426  -0.300  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.808  -3.878  -5.166  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.346  -3.089  -5.232  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.585  -2.667   2.020  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.957   1.829   4.163  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.138   0.602   3.055  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.795   0.167  -1.286  1.00  0.00           H  
HETATM   95  H   UNL     1       7.438  -1.778  -0.454  1.00  0.00           H  
HETATM   96  H   UNL     1       8.002   0.535   2.760  1.00  0.00           H  
HETATM   97  H   UNL     1       9.632  -1.097   0.176  1.00  0.00           H  
HETATM   98  H   UNL     1       9.854  -0.125   1.528  1.00  0.00           H  
CONECT    1   43   43   15   33                                       
CONECT    2   15   16   47   48                                       
CONECT    3   16   17   49   50                                       
CONECT    4    5   19   51   52                                       
CONECT    5    6    4   53   54                                       
CONECT    6   20    5   55   56                                       
CONECT    7   36    8   44   44                                       
CONECT    8   38   21    7   57                                       
CONECT    9   30   10   10   58                                       
CONECT   10    9    9   28   11                                       
CONECT   11   10   32   59   60                                       
CONECT   12   42   42   32   13                                       
CONECT   13   12   14   61   62                                       
CONECT   14   13   33   63   64                                       
CONECT   15    1   39    2   65                                       
CONECT   16    2    3   66   67                                       
CONECT   17   34    3   68   69                                       
CONECT   18   19   46   46   34                                       
CONECT   19    4   36   18   70                                       
CONECT   20   35    6   71   72                                       
CONECT   21   22    8   73   74                                       
CONECT   22   23   21   75   76                                       
CONECT   23   24   22   77   78                                       
CONECT   24   37   23   79   80                                       
CONECT   25   26   38   45   45                                       
CONECT   26   27   25   81   82                                       
CONECT   27   29   26   28   28                                       
CONECT   28   27   27   10   83                                       
CONECT   29   30   30   27   84                                       
CONECT   30   29   29    9   85                                       
CONECT   31   40   40   39   41                                       
CONECT   32   11   12   86                                            
CONECT   33    1   14   87                                            
CONECT   34   18   17   88                                            
CONECT   35   20   89   90                                            
CONECT   36   19    7   91                                            
CONECT   37   24   92   93                                            
CONECT   38   25    8   94                                            
CONECT   39   15   31   95                                            
CONECT   40   31   31   96                                            
CONECT   41   31   97   98                                            
CONECT   42   12   12                                                 
CONECT   43    1    1                                                 
CONECT   44    7    7                                                 
CONECT   45   25   25                                                 
CONECT   46   18   18                                                 
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
