COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.520  -0.358  -1.043  1.00  0.00           C  
HETATM    2  C   UNL     1       4.129  -0.600  -0.451  1.00  0.00           C  
HETATM    3  C   UNL     1       3.413   0.744  -0.283  1.00  0.00           C  
HETATM    4  C   UNL     1       4.269   1.659   0.599  1.00  0.00           C  
HETATM    5  C   UNL     1       5.655   1.813  -0.034  1.00  0.00           C  
HETATM    6  C   UNL     1       6.536   2.676   0.872  1.00  0.00           C  
HETATM    7  C   UNL     1       3.407  -2.796  -1.220  1.00  0.00           C  
HETATM    8  C   UNL     1       2.519  -3.673  -2.066  1.00  0.00           C  
HETATM    9  N   UNL     1       3.355  -1.456  -1.354  1.00  0.00           N  
HETATM   10  O   UNL     1       6.214  -1.602  -1.151  1.00  0.00           O  
HETATM   11  O   UNL     1       2.143   0.535   0.337  1.00  0.00           O  
HETATM   12  O   UNL     1       3.647   2.941   0.703  1.00  0.00           O  
HETATM   13  O   UNL     1       6.252   0.524  -0.191  1.00  0.00           O  
HETATM   14  O   UNL     1       7.789   2.917   0.228  1.00  0.00           O  
HETATM   15  O   UNL     1       4.169  -3.297  -0.420  1.00  0.00           O  
HETATM   16  C   UNL     1       1.047   1.116  -0.373  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.271   0.617   0.224  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.439   1.290  -0.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.289   2.810  -0.389  1.00  0.00           C  
HETATM   20  C   UNL     1       0.068   3.225  -0.962  1.00  0.00           C  
HETATM   21  C   UNL     1       0.251   4.735  -0.798  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.361  -0.800   0.063  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.672   0.885   0.097  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.365   3.196   0.985  1.00  0.00           O  
HETATM   25  O   UNL     1       1.109   2.540  -0.263  1.00  0.00           O  
HETATM   26  O   UNL     1       1.464   5.140  -1.436  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.008  -1.469   1.148  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.140  -2.959   0.823  1.00  0.00           C  
HETATM   29  C   UNL     1       0.257  -3.567   0.670  1.00  0.00           C  
HETATM   30  C   UNL     1       1.053  -3.320   1.956  1.00  0.00           C  
HETATM   31  C   UNL     1       1.101  -1.816   2.236  1.00  0.00           C  
HETATM   32  C   UNL     1       1.843  -1.566   3.551  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.867  -3.119  -0.397  1.00  0.00           O  
HETATM   34  O   UNL     1       0.145  -4.972   0.440  1.00  0.00           O  
HETATM   35  O   UNL     1       0.417  -3.990   3.046  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.231  -1.309   2.337  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.707   0.280  -1.905  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.817   1.090  -0.733  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.082   0.703   0.037  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.165   1.491   1.270  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.022  -0.787   0.385  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.231  -1.174   1.040  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.857  -1.596  -0.905  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.000  -1.401  -1.740  1.00  0.00           O  
HETATM   45  C   UNL     1      -3.600  -1.119  -1.639  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.461  -1.880  -2.959  1.00  0.00           C  
HETATM   47  O   UNL     1      -2.194  -1.582  -3.550  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.713   2.722   1.247  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.136   3.178   0.206  1.00  0.00           O  
HETATM   50  C   UNL     1      -5.798   3.532   2.514  1.00  0.00           C  
HETATM   51  H   UNL     1       5.421   0.090  -2.032  1.00  0.00           H  
HETATM   52  H   UNL     1       4.225  -1.085   0.520  1.00  0.00           H  
HETATM   53  H   UNL     1       3.273   1.207  -1.260  1.00  0.00           H  
HETATM   54  H   UNL     1       4.369   1.219   1.591  1.00  0.00           H  
HETATM   55  H   UNL     1       5.558   2.290  -1.009  1.00  0.00           H  
HETATM   56  H   UNL     1       6.038   3.627   1.064  1.00  0.00           H  
HETATM   57  H   UNL     1       6.706   2.158   1.815  1.00  0.00           H  
HETATM   58  H   UNL     1       1.970  -3.056  -2.777  1.00  0.00           H  
HETATM   59  H   UNL     1       3.131  -4.395  -2.607  1.00  0.00           H  
HETATM   60  H   UNL     1       1.814  -4.202  -1.424  1.00  0.00           H  
HETATM   61  H   UNL     1       2.805  -1.059  -2.047  1.00  0.00           H  
HETATM   62  H   UNL     1       7.105  -1.525  -1.520  1.00  0.00           H  
HETATM   63  H   UNL     1       4.136   3.572   1.249  1.00  0.00           H  
HETATM   64  H   UNL     1       8.399   3.460   0.746  1.00  0.00           H  
HETATM   65  H   UNL     1       1.102   0.830  -1.424  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.308   0.867   1.284  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.431   1.000  -1.553  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.086   3.297  -0.950  1.00  0.00           H  
HETATM   69  H   UNL     1       0.110   2.967  -2.021  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.591   5.255  -1.255  1.00  0.00           H  
HETATM   71  H   UNL     1       0.299   4.982   0.262  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.278   4.148   1.131  1.00  0.00           H  
HETATM   73  H   UNL     1       1.645   6.088  -1.372  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.998  -1.040   1.300  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.669  -3.462   1.633  1.00  0.00           H  
HETATM   76  H   UNL     1       0.769  -3.098  -0.171  1.00  0.00           H  
HETATM   77  H   UNL     1       2.068  -3.701   1.835  1.00  0.00           H  
HETATM   78  H   UNL     1       1.622  -1.311   1.423  1.00  0.00           H  
HETATM   79  H   UNL     1       2.822  -2.044   3.513  1.00  0.00           H  
HETATM   80  H   UNL     1       1.968  -0.493   3.699  1.00  0.00           H  
HETATM   81  H   UNL     1       1.267  -1.982   4.378  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.797  -2.861  -0.337  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.354  -5.202  -0.356  1.00  0.00           H  
HETATM   84  H   UNL     1       0.837  -3.832   3.903  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.873   2.140  -1.021  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.958   0.898  -0.581  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.826   1.126   2.102  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.173  -0.974   1.044  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.262  -2.108   1.290  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.759  -2.654  -0.663  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.963  -1.885  -2.577  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.724  -1.305  -1.018  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.530  -2.952  -2.770  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.796   3.697   2.909  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.267   4.493   2.301  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.394   2.993   3.251  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.258  -1.579  -3.638  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.037  -2.032  -4.391  1.00  0.00           H  
CONECT    1    2   10   13   51                                       
CONECT    2    1    3    9   52                                       
CONECT    3    2    4   11   53                                       
CONECT    4    3    5   12   54                                       
CONECT    5    4    6   13   55                                       
CONECT    6    5   14   56   57                                       
CONECT    7    8    9   15   15                                       
CONECT    8    7   58   59   60                                       
CONECT    9    2    7   61                                            
CONECT   10    1   62                                                 
CONECT   11    3   16                                                 
CONECT   12    4   63                                                 
CONECT   13    1    5                                                 
CONECT   14    6   64                                                 
CONECT   15    7    7                                                 
CONECT   16   17   25   65   11                                       
CONECT   17   16   18   22   66                                       
CONECT   18   17   19   23   67                                       
CONECT   19   18   20   24   68                                       
CONECT   20   19   21   25   69                                       
CONECT   21   20   26   70   71                                       
CONECT   22   17   27                                                 
CONECT   23   18   38                                                 
CONECT   24   19   72                                                 
CONECT   25   16   20                                                 
CONECT   26   21   73                                                 
CONECT   27   28   36   74   22                                       
CONECT   28   27   29   33   75                                       
CONECT   29   28   30   34   76                                       
CONECT   30   29   31   35   77                                       
CONECT   31   30   32   36   78                                       
CONECT   32   31   79   80   81                                       
CONECT   33   28   82                                                 
CONECT   34   29   83                                                 
CONECT   35   30   84                                                 
CONECT   36   27   31                                                 
CONECT   37   45   38                                                 
CONECT   38   37   39   85   23                                       
CONECT   39   38   41   86   40                                       
CONECT   40   39   87   48                                            
CONECT   41   39   43   42   88                                       
CONECT   42   41   89                                                 
CONECT   43   41   44   90   45                                       
CONECT   44   43   91                                                 
CONECT   45   37   43   46   92                                       
CONECT   46   45   47   93   97                                       
CONECT   47   46   98                                                 
CONECT   48   40   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   94   95   96                                       
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   50                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
