COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.083  -0.056  -0.500  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.103  -1.995   1.714  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.632  -2.252   2.302  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.750  -2.092   1.313  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.101  -1.807   0.502  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.874  -0.479  -0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.388  -0.742  -1.656  1.00  0.00           C  
HETATM    8  C   UNL     1       0.694  -1.793   1.764  1.00  0.00           C  
HETATM    9  C   UNL     1       2.104  -2.127  -0.323  1.00  0.00           C  
HETATM   10  C   UNL     1       1.385  -2.808   0.777  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.106  -0.061  -1.874  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.363  -0.444  -2.889  1.00  0.00           C  
HETATM   13  C   UNL     1       0.077  -0.012  -2.896  1.00  0.00           C  
HETATM   14  C   UNL     1       0.869  -0.373  -1.669  1.00  0.00           C  
HETATM   15  C   UNL     1       1.359  -1.729  -1.665  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.448  -2.013   0.120  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.537  -3.297   2.426  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.263   0.037  -0.308  1.00  0.00           O  
HETATM   19  O   UNL     1       0.411  -3.738   0.392  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.925  -1.495   3.591  1.00  0.00           C  
HETATM   21  O   UNL     1       2.674  -0.872   0.183  1.00  0.00           O  
HETATM   22  C   UNL     1       0.409  -2.822  -2.044  1.00  0.00           C  
HETATM   23  C   UNL     1       2.440  -3.540   1.599  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.430  -0.086  -2.708  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.010   0.531   0.489  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.445   1.434  -2.530  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.786  -1.213  -3.733  1.00  0.00           O  
HETATM   28  C   UNL     1       0.765  -0.470  -4.164  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.494  -1.845   0.877  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.130  -0.707   0.340  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.320  -0.564   0.529  1.00  0.00           O  
HETATM   32  C   UNL     1       3.953  -0.551  -0.367  1.00  0.00           C  
HETATM   33  O   UNL     1       4.914  -1.515   0.067  1.00  0.00           O  
HETATM   34  C   UNL     1       6.229  -1.302  -0.449  1.00  0.00           C  
HETATM   35  C   UNL     1       6.746   0.060   0.022  1.00  0.00           C  
HETATM   36  C   UNL     1       5.776   1.153  -0.438  1.00  0.00           C  
HETATM   37  C   UNL     1       4.378   0.841   0.107  1.00  0.00           C  
HETATM   38  N   UNL     1       6.224   2.454   0.074  1.00  0.00           N  
HETATM   39  C   UNL     1       6.409   2.412   1.531  1.00  0.00           C  
HETATM   40  C   UNL     1       7.454   2.891  -0.600  1.00  0.00           C  
HETATM   41  O   UNL     1       3.450   1.814  -0.375  1.00  0.00           O  
HETATM   42  C   UNL     1       7.161  -2.405   0.057  1.00  0.00           C  
HETATM   43  C   UNL     1       0.932  -4.866  -0.313  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.004   1.242  -0.156  1.00  0.00           C  
HETATM   45  N   UNL     1      -0.352   1.584   1.101  1.00  0.00           N  
HETATM   46  O   UNL     1       0.230   2.106  -0.978  1.00  0.00           O  
HETATM   47  C   UNL     1      -0.277   2.937   1.673  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.751   2.841   3.138  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.529   1.344   3.478  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.876   0.665   2.127  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.174   3.870   0.901  1.00  0.00           C  
HETATM   52  C   UNL     1      -0.649   4.989   0.272  1.00  0.00           C  
HETATM   53  C   UNL     1      -1.512   5.819  -0.427  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.857   5.506  -0.474  1.00  0.00           C  
HETATM   55  N   UNL     1      -3.322   4.433   0.137  1.00  0.00           N  
HETATM   56  C   UNL     1      -2.530   3.618   0.805  1.00  0.00           C  
HETATM   57  H   UNL     1      -3.263  -1.176   2.414  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.523  -3.319   2.570  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.887  -2.696  -0.183  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.376  -1.759  -1.844  1.00  0.00           H  
HETATM   61  H   UNL     1       0.580  -0.846   1.307  1.00  0.00           H  
HETATM   62  H   UNL     1       1.404  -1.651   2.555  1.00  0.00           H  
HETATM   63  H   UNL     1       2.937  -2.750  -0.652  1.00  0.00           H  
HETATM   64  H   UNL     1       0.030   1.188  -2.953  1.00  0.00           H  
HETATM   65  H   UNL     1       1.710   0.358  -1.611  1.00  0.00           H  
HETATM   66  H   UNL     1       2.164  -1.848  -2.386  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.470  -4.132   1.728  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.881  -3.482   3.277  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.565  -3.196   2.774  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.429  -0.558   3.355  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.566  -2.102   4.230  1.00  0.00           H  
HETATM   72  H   UNL     1       0.010  -1.284   4.109  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.308  -2.976  -1.238  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.122  -2.542  -2.954  1.00  0.00           H  
HETATM   75  H   UNL     1       0.966  -3.743  -2.217  1.00  0.00           H  
HETATM   76  H   UNL     1       1.958  -4.061   2.426  1.00  0.00           H  
HETATM   77  H   UNL     1       2.956  -4.262   0.966  1.00  0.00           H  
HETATM   78  H   UNL     1       3.158  -2.821   1.992  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.122  -0.330  -3.724  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.429  -0.483  -2.525  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.111   0.037   0.858  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.728   1.343  -0.182  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.574   0.935   1.330  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.210   1.867  -3.175  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.665   1.676  -1.491  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.470   1.840  -2.800  1.00  0.00           H  
HETATM   87  H   UNL     1       0.262  -0.035  -5.027  1.00  0.00           H  
HETATM   88  H   UNL     1       1.806  -0.147  -4.149  1.00  0.00           H  
HETATM   89  H   UNL     1       0.723  -1.557  -4.227  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.979  -2.487   1.440  1.00  0.00           H  
HETATM   91  H   UNL     1       3.893  -0.562  -1.456  1.00  0.00           H  
HETATM   92  H   UNL     1       6.200  -1.322  -1.539  1.00  0.00           H  
HETATM   93  H   UNL     1       6.814   0.067   1.110  1.00  0.00           H  
HETATM   94  H   UNL     1       7.731   0.244  -0.407  1.00  0.00           H  
HETATM   95  H   UNL     1       5.745   1.178  -1.527  1.00  0.00           H  
HETATM   96  H   UNL     1       4.398   0.864   1.196  1.00  0.00           H  
HETATM   97  H   UNL     1       6.672   3.406   1.893  1.00  0.00           H  
HETATM   98  H   UNL     1       5.483   2.086   2.006  1.00  0.00           H  
HETATM   99  H   UNL     1       7.208   1.713   1.775  1.00  0.00           H  
HETATM  100  H   UNL     1       7.268   2.981  -1.671  1.00  0.00           H  
HETATM  101  H   UNL     1       7.763   3.857  -0.203  1.00  0.00           H  
HETATM  102  H   UNL     1       8.242   2.158  -0.428  1.00  0.00           H  
HETATM  103  H   UNL     1       2.531   1.638  -0.130  1.00  0.00           H  
HETATM  104  H   UNL     1       6.792  -3.374  -0.278  1.00  0.00           H  
HETATM  105  H   UNL     1       8.164  -2.242  -0.337  1.00  0.00           H  
HETATM  106  H   UNL     1       7.191  -2.384   1.146  1.00  0.00           H  
HETATM  107  H   UNL     1       1.600  -4.524  -1.104  1.00  0.00           H  
HETATM  108  H   UNL     1       1.484  -5.504   0.378  1.00  0.00           H  
HETATM  109  H   UNL     1       0.110  -5.432  -0.752  1.00  0.00           H  
HETATM  110  H   UNL     1       0.751   3.298   1.638  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.143   3.477   3.782  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.805   3.106   3.221  1.00  0.00           H  
HETATM  113  H   UNL     1       0.507   1.151   3.757  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.210   1.020   4.265  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.956   0.552   2.027  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.383  -0.304   2.052  1.00  0.00           H  
HETATM  117  H   UNL     1       0.407   5.209   0.326  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.137   6.700  -0.928  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.536   6.148  -1.016  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.946   2.746   1.288  1.00  0.00           H  
CONECT    1   44   14                                                 
CONECT    2    4   17    5   57                                       
CONECT    3   20    8    4   58                                       
CONECT    4    3   16   16    2                                       
CONECT    5    2   29    6   59                                       
CONECT    6    5   25   18    7                                       
CONECT    7    6   11   24   60                                       
CONECT    8    3   10   61   62                                       
CONECT    9   21   10   15   63                                       
CONECT   10   23    8    9   19                                       
CONECT   11   12    7                                                 
CONECT   12   13   11   27   27                                       
CONECT   13   14   12   28   64                                       
CONECT   14   15    1   13   65                                       
CONECT   15    9   22   14   66                                       
CONECT   16    4    4                                                 
CONECT   17    2   67   68   69                                       
CONECT   18    6   30                                                 
CONECT   19   10   43                                                 
CONECT   20    3   70   71   72                                       
CONECT   21   32    9                                                 
CONECT   22   15   73   74   75                                       
CONECT   23   10   76   77   78                                       
CONECT   24    7   26   79   80                                       
CONECT   25    6   81   82   83                                       
CONECT   26   24   84   85   86                                       
CONECT   27   12   12                                                 
CONECT   28   13   87   88   89                                       
CONECT   29    5   30   90                                            
CONECT   30   29   18   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   37   21   91                                       
CONECT   33   34   32                                                 
CONECT   34   35   42   33   92                                       
CONECT   35   36   34   93   94                                       
CONECT   36   38   35   37   95                                       
CONECT   37   36   32   41   96                                       
CONECT   38   39   40   36                                            
CONECT   39   38   97   98   99                                       
CONECT   40   38  100  101  102                                       
CONECT   41   37  103                                                 
CONECT   42   34  104  105  106                                       
CONECT   43   19  107  108  109                                       
CONECT   44   46   46   45    1                                       
CONECT   45   50   44   47                                            
CONECT   46   44   44                                                 
CONECT   47   45   51   48  110                                       
CONECT   48   49   47  111  112                                       
CONECT   49   50   48  113  114                                       
CONECT   50   49   45  115  116                                       
CONECT   51   52   47   56   56                                       
CONECT   52   53   53   51  117                                       
CONECT   53   52   52   54  118                                       
CONECT   54   53   55   55  119                                       
CONECT   55   54   54   56                                            
CONECT   56   51   51   55  120                                       
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   32                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
CONECT  113   49                                                      
CONECT  114   49                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   52                                                      
CONECT  118   53                                                      
CONECT  119   54                                                      
CONECT  120   56                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
