COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.260  -0.995   1.765  1.00  0.00           C  
HETATM    2  O   UNL     1       1.939  -1.460   0.453  1.00  0.00           O  
HETATM    3  C   UNL     1       1.942   0.499   1.870  1.00  0.00           C  
HETATM    4  N   UNL     1       0.525   0.722   1.553  1.00  0.00           N  
HETATM    5  C   UNL     1       2.816   1.270   0.877  1.00  0.00           C  
HETATM    6  O   UNL     1       2.578   2.672   1.020  1.00  0.00           O  
HETATM    7  C   UNL     1       4.289   0.969   1.169  1.00  0.00           C  
HETATM    8  O   UNL     1       5.112   1.626   0.203  1.00  0.00           O  
HETATM    9  C   UNL     1       4.517  -0.543   1.091  1.00  0.00           C  
HETATM   10  O   UNL     1       3.652  -1.203   2.018  1.00  0.00           O  
HETATM   11  C   UNL     1       5.973  -0.858   1.441  1.00  0.00           C  
HETATM   12  O   UNL     1       6.279  -0.327   2.731  1.00  0.00           O  
HETATM   13  C   UNL     1       7.567   4.834  -1.637  1.00  0.00           C  
HETATM   14  C   UNL     1       6.855   4.208  -0.631  1.00  0.00           C  
HETATM   15  C   UNL     1       8.506   4.126  -2.363  1.00  0.00           C  
HETATM   16  C   UNL     1       7.083   2.873  -0.351  1.00  0.00           C  
HETATM   17  C   UNL     1       8.733   2.791  -2.083  1.00  0.00           C  
HETATM   18  C   UNL     1       6.307   2.191   0.746  1.00  0.00           C  
HETATM   19  C   UNL     1       8.022   2.165  -1.077  1.00  0.00           C  
HETATM   20  C   UNL     1       0.994  -5.261  -1.151  1.00  0.00           C  
HETATM   21  C   UNL     1       2.325  -5.095  -0.415  1.00  0.00           C  
HETATM   22  C   UNL     1       2.692  -3.610  -0.353  1.00  0.00           C  
HETATM   23  C   UNL     1       1.597  -2.846   0.394  1.00  0.00           C  
HETATM   24  C   UNL     1       0.266  -3.012  -0.341  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.101  -4.496  -0.403  1.00  0.00           C  
HETATM   26  N   UNL     1       0.642  -6.686  -1.211  1.00  0.00           N  
HETATM   27  N   UNL     1       3.970  -3.451   0.353  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.756  -2.298   0.357  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.344  -4.651  -1.090  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.483  -0.006  -1.737  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.308  -0.736  -1.322  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.800  -1.805  -0.486  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.917  -1.160   0.364  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.996  -2.077   0.552  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.377   0.051  -0.478  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.754  -0.081  -0.836  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.102   1.407  -2.184  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.312   1.334  -3.372  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.383   2.649   0.930  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.538   1.944   0.018  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.656   0.522   0.094  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.091   0.112  -0.248  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.400   0.511  -1.628  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.057   0.810   0.714  1.00  0.00           C  
HETATM   45  O   UNL     1      -7.799   0.373   2.050  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.847   2.324   0.622  1.00  0.00           C  
HETATM   47  O   UNL     1      -8.168   2.771  -0.698  1.00  0.00           O  
HETATM   48  C   UNL     1      -6.152   4.154   0.781  1.00  0.00           C  
HETATM   49  N   UNL     1      -4.747   4.465   1.076  1.00  0.00           N  
HETATM   50  H   UNL     1       1.672  -1.545   2.500  1.00  0.00           H  
HETATM   51  H   UNL     1       2.147   0.845   2.884  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.072   0.218   2.192  1.00  0.00           H  
HETATM   53  H   UNL     1       0.305   1.706   1.553  1.00  0.00           H  
HETATM   54  H   UNL     1       2.573   0.961  -0.139  1.00  0.00           H  
HETATM   55  H   UNL     1       1.662   2.934   0.856  1.00  0.00           H  
HETATM   56  H   UNL     1       4.543   1.325   2.167  1.00  0.00           H  
HETATM   57  H   UNL     1       4.302  -0.892   0.081  1.00  0.00           H  
HETATM   58  H   UNL     1       6.120  -1.938   1.448  1.00  0.00           H  
HETATM   59  H   UNL     1       6.631  -0.408   0.697  1.00  0.00           H  
HETATM   60  H   UNL     1       7.188  -0.490   3.019  1.00  0.00           H  
HETATM   61  H   UNL     1       7.386   5.876  -1.859  1.00  0.00           H  
HETATM   62  H   UNL     1       6.121   4.761  -0.064  1.00  0.00           H  
HETATM   63  H   UNL     1       9.062   4.615  -3.149  1.00  0.00           H  
HETATM   64  H   UNL     1       9.467   2.238  -2.651  1.00  0.00           H  
HETATM   65  H   UNL     1       6.049   2.918   1.515  1.00  0.00           H  
HETATM   66  H   UNL     1       6.916   1.400   1.184  1.00  0.00           H  
HETATM   67  H   UNL     1       8.200   1.123  -0.859  1.00  0.00           H  
HETATM   68  H   UNL     1       1.086  -4.866  -2.163  1.00  0.00           H  
HETATM   69  H   UNL     1       2.233  -5.489   0.597  1.00  0.00           H  
HETATM   70  H   UNL     1       3.105  -5.639  -0.948  1.00  0.00           H  
HETATM   71  H   UNL     1       2.784  -3.216  -1.365  1.00  0.00           H  
HETATM   72  H   UNL     1       1.505  -3.240   1.406  1.00  0.00           H  
HETATM   73  H   UNL     1       0.358  -2.618  -1.353  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.193  -4.891   0.609  1.00  0.00           H  
HETATM   75  H   UNL     1       1.350  -7.213  -1.700  1.00  0.00           H  
HETATM   76  H   UNL     1       0.488  -7.059  -0.286  1.00  0.00           H  
HETATM   77  H   UNL     1       4.680  -4.048  -0.044  1.00  0.00           H  
HETATM   78  H   UNL     1       4.266  -2.487   0.351  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.639  -5.569  -1.168  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.993  -0.533  -2.543  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.206  -2.611  -1.097  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.524  -0.831   1.326  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.749  -2.885   1.023  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.213   0.980   0.068  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.007   1.981  -2.384  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.529   1.895  -1.396  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.034   2.195  -3.714  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.151   2.345   1.951  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.414   0.190   1.103  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.195  -0.969  -0.149  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.776   0.063  -2.282  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.363   0.313  -1.854  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.084   0.566   0.441  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.376   0.775   2.714  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.492   2.826   1.344  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.081   2.593  -0.962  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.384   4.458  -0.240  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.797   4.692   1.476  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.127   3.930   0.488  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.568   5.454   0.984  1.00  0.00           H  
CONECT    1    2    3   10   50                                       
CONECT    2    1   23                                                 
CONECT    3    1    4    5   51                                       
CONECT    4    3   52   53                                            
CONECT    5    3    6    7   54                                       
CONECT    6    5   55                                                 
CONECT    7    5    8    9   56                                       
CONECT    8    7   18                                                 
CONECT    9    7   10   11   57                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   58   59                                       
CONECT   12   11   60                                                 
CONECT   13   14   14   15   61                                       
CONECT   14   13   13   16   62                                       
CONECT   15   13   17   17   63                                       
CONECT   16   14   18   19   19                                       
CONECT   17   15   15   19   64                                       
CONECT   18    8   16   65   66                                       
CONECT   19   16   16   17   67                                       
CONECT   20   26   21   25   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   27   21   23   71                                       
CONECT   23    2   22   24   72                                       
CONECT   24   28   25   23   73                                       
CONECT   25   29   20   24   74                                       
CONECT   26   20   75   76                                            
CONECT   27   22   77   78                                            
CONECT   28   32   24                                                 
CONECT   29   25   79                                                 
CONECT   30   35   31   37   80                                       
CONECT   31   32   30                                                 
CONECT   32   28   33   31   81                                       
CONECT   33   32   34   35   82                                       
CONECT   34   33   83                                                 
CONECT   35   33   36   30   84                                       
CONECT   36   35   41                                                 
CONECT   37   30   38   85   86                                       
CONECT   38   37   87                                                 
CONECT   39   48   40   46   88                                       
CONECT   40   39   41                                                 
CONECT   41   36   40   42   89                                       
CONECT   42   43   44   41   90                                       
CONECT   43   42   91   92                                            
CONECT   44   45   42   46   93                                       
CONECT   45   44   94                                                 
CONECT   46   47   44   39   95                                       
CONECT   47   46   96                                                 
CONECT   48   49   39   97   98                                       
CONECT   49   48   99  100                                            
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
