COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.148   4.181  -0.526  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.145   5.014  -0.884  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.077   4.633  -0.170  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.939   6.464  -0.844  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.595   6.891   0.585  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.789   6.841  -1.779  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.217   7.174  -1.295  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.339   2.848  -0.558  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.255   1.942  -0.169  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.264   1.760   1.351  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.965   3.099   2.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.639   1.259   1.796  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.195   0.739   1.747  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.453   0.606  -0.836  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.573   0.179  -1.018  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.062  -2.418  -0.808  1.00  0.00           C  
HETATM   17  C   UNL     1       0.021   0.326  -1.167  1.00  0.00           C  
HETATM   18  C   UNL     1       0.848  -0.982  -1.122  1.00  0.00           C  
HETATM   19  C   UNL     1       4.459  -0.202  -1.131  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.427  -1.472  -1.795  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.445  -2.006   0.266  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.385  -0.115  -1.231  1.00  0.00           N  
HETATM   23  C   UNL     1       0.032  -1.899  -2.071  1.00  0.00           C  
HETATM   24  O   UNL     1       2.169  -0.770  -1.625  1.00  0.00           O  
HETATM   25  C   UNL     1       3.124  -0.431  -0.724  1.00  0.00           C  
HETATM   26  C   UNL     1       2.820  -0.299   0.616  1.00  0.00           C  
HETATM   27  C   UNL     1       5.423   0.156  -0.157  1.00  0.00           C  
HETATM   28  C   UNL     1       4.837  -0.318  -2.477  1.00  0.00           C  
HETATM   29  C   UNL     1       3.827   0.052   1.523  1.00  0.00           C  
HETATM   30  N   UNL     1       5.068   0.269   1.128  1.00  0.00           N  
HETATM   31  C   UNL     1       6.748   0.390  -0.560  1.00  0.00           C  
HETATM   32  C   UNL     1       6.128  -0.092  -2.840  1.00  0.00           C  
HETATM   33  C   UNL     1       3.490   0.192   2.961  1.00  0.00           C  
HETATM   34  C   UNL     1       7.087   0.268  -1.888  1.00  0.00           C  
HETATM   35  C   UNL     1       4.477   0.549   3.879  1.00  0.00           C  
HETATM   36  C   UNL     1       2.185  -0.027   3.398  1.00  0.00           C  
HETATM   37  O   UNL     1       8.368   0.494  -2.278  1.00  0.00           O  
HETATM   38  C   UNL     1       4.158   0.678   5.215  1.00  0.00           C  
HETATM   39  C   UNL     1       1.878   0.105   4.737  1.00  0.00           C  
HETATM   40  C   UNL     1       8.658   0.351  -3.670  1.00  0.00           C  
HETATM   41  C   UNL     1       2.862   0.454   5.644  1.00  0.00           C  
HETATM   42  N   UNL     1      -2.204  -3.721  -1.120  1.00  0.00           N  
HETATM   43  C   UNL     1      -2.913  -4.620  -0.206  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.188  -5.891   0.239  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.381  -4.736   1.224  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.019  -7.130   0.447  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.777  -8.208  -0.257  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.405  -4.702  -0.402  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.097  -5.223   0.440  1.00  0.00           O  
HETATM   50  O   UNL     1      -4.965  -4.196  -1.512  1.00  0.00           O  
HETATM   51  H   UNL     1      -5.000   4.654  -1.168  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.685   6.385   0.906  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.442   7.970   0.615  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.415   6.622   1.251  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.033   6.537  -2.797  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.635   7.920  -1.749  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.878   6.336  -1.458  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.036   6.905  -0.628  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.063   8.252  -1.265  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.462   6.870  -2.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.195   2.487  -0.838  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.300   2.365  -0.478  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.726   3.827   1.744  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.971   2.969   3.109  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.985   3.456   1.709  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.852   0.304   1.315  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.645   1.129   2.879  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.400   1.986   1.514  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.209   1.130   1.499  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.252   0.552   2.820  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.364  -0.192   1.207  1.00  0.00           H  
HETATM   72  H   UNL     1       0.193   0.915  -0.266  1.00  0.00           H  
HETATM   73  H   UNL     1       0.276   0.907  -2.053  1.00  0.00           H  
HETATM   74  H   UNL     1       0.878  -1.391  -0.112  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.997  -1.469  -2.725  1.00  0.00           H  
HETATM   76  H   UNL     1       0.299  -1.712  -3.111  1.00  0.00           H  
HETATM   77  H   UNL     1       0.181  -2.949  -1.816  1.00  0.00           H  
HETATM   78  H   UNL     1       1.811  -0.466   0.963  1.00  0.00           H  
HETATM   79  H   UNL     1       4.104  -0.587  -3.223  1.00  0.00           H  
HETATM   80  H   UNL     1       7.497   0.664   0.168  1.00  0.00           H  
HETATM   81  H   UNL     1       6.414  -0.183  -3.878  1.00  0.00           H  
HETATM   82  H   UNL     1       5.489   0.723   3.545  1.00  0.00           H  
HETATM   83  H   UNL     1       1.416  -0.299   2.690  1.00  0.00           H  
HETATM   84  H   UNL     1       4.921   0.954   5.927  1.00  0.00           H  
HETATM   85  H   UNL     1       0.867  -0.064   5.077  1.00  0.00           H  
HETATM   86  H   UNL     1       9.713   0.559  -3.845  1.00  0.00           H  
HETATM   87  H   UNL     1       8.431  -0.667  -3.986  1.00  0.00           H  
HETATM   88  H   UNL     1       8.050   1.053  -4.241  1.00  0.00           H  
HETATM   89  H   UNL     1       2.617   0.556   6.691  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.837  -4.064  -1.950  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.183  -6.059  -0.148  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.504  -4.144   1.484  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.110  -4.873   2.023  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.816  -7.130   1.177  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.981  -8.208  -0.987  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.373  -9.096  -0.108  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.925  -4.272  -1.594  1.00  0.00           H  
CONECT    1    8    3    3    2                                       
CONECT    2    1    4   51                                            
CONECT    3    1    1                                                 
CONECT    4    5    2    6    7                                       
CONECT    5    4   52   53   54                                       
CONECT    6    4   55   56   57                                       
CONECT    7    4   58   59   60                                       
CONECT    8    9    1   61                                            
CONECT    9   14   10    8   62                                       
CONECT   10   11    9   13   12                                       
CONECT   11   10   63   64   65                                       
CONECT   12   10   66   67   68                                       
CONECT   13   10   69   70   71                                       
CONECT   14   22   15   15    9                                       
CONECT   15   14   14                                                 
CONECT   16   42   21   21   20                                       
CONECT   17   18   22   72   73                                       
CONECT   18   23   24   17   74                                       
CONECT   19   27   27   25   28                                       
CONECT   20   16   23   22   75                                       
CONECT   21   16   16                                                 
CONECT   22   20   17   14                                            
CONECT   23   20   18   76   77                                       
CONECT   24   25   18                                                 
CONECT   25   26   26   19   24                                       
CONECT   26   29   25   25   78                                       
CONECT   27   30   31   19   19                                       
CONECT   28   19   32   32   79                                       
CONECT   29   33   30   30   26                                       
CONECT   30   29   29   27                                            
CONECT   31   27   34   34   80                                       
CONECT   32   34   28   28   81                                       
CONECT   33   35   35   36   29                                       
CONECT   34   31   31   32   37                                       
CONECT   35   38   33   33   82                                       
CONECT   36   39   39   33   83                                       
CONECT   37   34   40                                                 
CONECT   38   41   41   35   84                                       
CONECT   39   41   36   36   85                                       
CONECT   40   37   86   87   88                                       
CONECT   41   38   38   39   89                                       
CONECT   42   43   16   90                                            
CONECT   43   48   45   42   44                                       
CONECT   44   43   45   46   91                                       
CONECT   45   43   44   92   93                                       
CONECT   46   44   47   47   94                                       
CONECT   47   46   46   95   96                                       
CONECT   48   49   49   50   43                                       
CONECT   49   48   48                                                 
CONECT   50   48   97                                                 
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   26                                                      
CONECT   79   28                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   50                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
