COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.331   0.955   0.890  1.00  0.00           C  
HETATM    2  O   UNL     1       3.703   0.519  -0.419  1.00  0.00           O  
HETATM    3  C   UNL     1       3.094   2.467   0.876  1.00  0.00           C  
HETATM    4  N   UNL     1       1.998   2.783  -0.050  1.00  0.00           N  
HETATM    5  C   UNL     1       4.374   3.170   0.414  1.00  0.00           C  
HETATM    6  O   UNL     1       4.219   4.585   0.537  1.00  0.00           O  
HETATM    7  C   UNL     1       5.536   2.701   1.298  1.00  0.00           C  
HETATM    8  O   UNL     1       6.765   3.229   0.794  1.00  0.00           O  
HETATM    9  C   UNL     1       5.590   1.172   1.281  1.00  0.00           C  
HETATM   10  O   UNL     1       4.376   0.640   1.809  1.00  0.00           O  
HETATM   11  C   UNL     1       6.767   0.696   2.134  1.00  0.00           C  
HETATM   12  O   UNL     1       6.884  -0.724   2.035  1.00  0.00           O  
HETATM   13  C   UNL     1       3.094  -3.412  -1.865  1.00  0.00           C  
HETATM   14  N   UNL     1       2.972  -4.876  -1.876  1.00  0.00           N  
HETATM   15  C   UNL     1       4.497  -3.021  -1.395  1.00  0.00           C  
HETATM   16  C   UNL     1       4.624  -1.496  -1.383  1.00  0.00           C  
HETATM   17  N   UNL     1       5.971  -1.120  -0.932  1.00  0.00           N  
HETATM   18  C   UNL     1       3.584  -0.905  -0.430  1.00  0.00           C  
HETATM   19  C   UNL     1       2.181  -1.296  -0.900  1.00  0.00           C  
HETATM   20  O   UNL     1       1.209  -0.743  -0.010  1.00  0.00           O  
HETATM   21  C   UNL     1       2.054  -2.820  -0.911  1.00  0.00           C  
HETATM   22  O   UNL     1       0.744  -3.186  -1.350  1.00  0.00           O  
HETATM   23  C   UNL     1       0.032  -0.501  -0.782  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.119  -0.017   0.128  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.990  -1.102   0.453  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.860   1.035  -0.726  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.068   1.061  -2.056  1.00  0.00           C  
HETATM   28  O   UNL     1       0.251   0.585  -1.709  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.993   2.487  -2.604  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.212   0.635  -0.956  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.273   2.485  -3.839  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.530  -1.644   1.693  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.425  -2.817   2.100  1.00  0.00           C  
HETATM   34  N   UNL     1      -2.282  -3.905   1.123  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.162  -4.992   1.570  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.061  -6.165   0.592  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.978  -7.298   1.058  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.881  -8.423   0.119  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.020   1.349  -0.018  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.428   0.750   0.000  1.00  0.00           C  
HETATM   41  N   UNL     1      -6.041   0.886  -1.328  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.276   1.499   1.035  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.766   1.255   2.347  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.209   3.000   0.728  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.848   3.263  -0.523  1.00  0.00           O  
HETATM   46  C   UNL     1      -4.742   3.429   0.654  1.00  0.00           C  
HETATM   47  O   UNL     1      -4.085   2.722  -0.396  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.667   4.932   0.381  1.00  0.00           C  
HETATM   49  N   UNL     1      -3.259   5.348   0.316  1.00  0.00           N  
HETATM   50  H   UNL     1       2.416   0.447   1.195  1.00  0.00           H  
HETATM   51  H   UNL     1       2.834   2.805   1.879  1.00  0.00           H  
HETATM   52  H   UNL     1       1.181   2.301   0.293  1.00  0.00           H  
HETATM   53  H   UNL     1       1.814   3.771   0.046  1.00  0.00           H  
HETATM   54  H   UNL     1       4.578   2.913  -0.625  1.00  0.00           H  
HETATM   55  H   UNL     1       5.051   4.984   0.248  1.00  0.00           H  
HETATM   56  H   UNL     1       5.381   3.050   2.319  1.00  0.00           H  
HETATM   57  H   UNL     1       7.467   2.904   1.374  1.00  0.00           H  
HETATM   58  H   UNL     1       5.722   0.825   0.256  1.00  0.00           H  
HETATM   59  H   UNL     1       7.686   1.162   1.777  1.00  0.00           H  
HETATM   60  H   UNL     1       6.598   0.975   3.174  1.00  0.00           H  
HETATM   61  H   UNL     1       7.636  -0.982   2.586  1.00  0.00           H  
HETATM   62  H   UNL     1       2.927  -3.026  -2.870  1.00  0.00           H  
HETATM   63  H   UNL     1       3.674  -5.220  -2.514  1.00  0.00           H  
HETATM   64  H   UNL     1       3.235  -5.196  -0.956  1.00  0.00           H  
HETATM   65  H   UNL     1       4.664  -3.407  -0.389  1.00  0.00           H  
HETATM   66  H   UNL     1       5.238  -3.442  -2.074  1.00  0.00           H  
HETATM   67  H   UNL     1       4.457  -1.110  -2.389  1.00  0.00           H  
HETATM   68  H   UNL     1       6.623  -1.627  -1.512  1.00  0.00           H  
HETATM   69  H   UNL     1       6.087  -0.142  -1.150  1.00  0.00           H  
HETATM   70  H   UNL     1       3.751  -1.291   0.576  1.00  0.00           H  
HETATM   71  H   UNL     1       2.014  -0.910  -1.905  1.00  0.00           H  
HETATM   72  H   UNL     1       2.221  -3.207   0.094  1.00  0.00           H  
HETATM   73  H   UNL     1       0.706  -4.152  -1.343  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.262  -1.404  -1.318  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.722   0.437   1.036  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.829   2.013  -0.244  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.531   0.398  -2.787  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.001   2.865  -2.772  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.480   3.126  -1.886  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.248   3.400  -4.150  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.569  -0.874   2.463  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.504  -1.993   1.579  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.464  -2.488   2.128  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.130  -3.173   3.087  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.335  -4.245   1.205  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.191  -4.636   1.605  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.858  -5.321   2.564  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.032  -6.521   0.558  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.365  -5.836  -0.401  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.007  -6.941   1.093  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.673  -7.626   2.052  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.942  -8.785   0.197  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.499  -9.143   0.465  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.579   1.267   0.976  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.372  -0.304   0.270  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.452   0.380  -1.972  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.921   0.394  -1.293  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.310   1.159   0.975  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.321   1.755   2.961  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.713   3.556   1.519  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.768   2.978  -0.432  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.252   3.208   1.602  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.155   5.154  -0.568  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.169   5.473   1.183  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.258   6.341   0.135  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.877   5.222   1.241  1.00  0.00           H  
CONECT    1    2    3   10   50                                       
CONECT    2    1   18                                                 
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   57                                                 
CONECT    9    7   10   11   58                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   59   60                                       
CONECT   12   11   61                                                 
CONECT   13   14   15   21   62                                       
CONECT   14   13   63   64                                            
CONECT   15   13   16   65   66                                       
CONECT   16   15   17   18   67                                       
CONECT   17   16   68   69                                            
CONECT   18    2   16   19   70                                       
CONECT   19   18   20   21   71                                       
CONECT   20   19   23                                                 
CONECT   21   13   19   22   72                                       
CONECT   22   21   73                                                 
CONECT   23   20   24   28   74                                       
CONECT   24   23   25   26   75                                       
CONECT   25   24   32                                                 
CONECT   26   24   27   30   76                                       
CONECT   27   26   28   29   77                                       
CONECT   28   23   27                                                 
CONECT   29   27   31   78   79                                       
CONECT   30   26   39                                                 
CONECT   31   29   80                                                 
CONECT   32   25   33   81   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85                                            
CONECT   35   34   36   86   87                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   92   93                                            
CONECT   39   30   40   47   94                                       
CONECT   40   39   41   42   95                                       
CONECT   41   40   96   97                                            
CONECT   42   40   43   44   98                                       
CONECT   43   42   99                                                 
CONECT   44   42   45   46  100                                       
CONECT   45   44  101                                                 
CONECT   46   44   47   48  102                                       
CONECT   47   39   46                                                 
CONECT   48   46   49  103  104                                       
CONECT   49   48  105  106                                            
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   46                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
