COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.058  -0.798   0.377  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.511  -0.465   1.454  1.00  0.00           O  
HETATM    3  O   UNL     1      -7.888  -1.055  -0.652  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.311  -0.914  -0.401  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.077  -1.240  -1.658  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.483  -2.538  -1.903  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.186  -2.837  -3.055  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.482  -1.837  -3.963  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.077  -0.539  -3.717  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.378  -0.239  -2.563  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.725  -0.904   0.209  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.821  -0.618   1.327  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.474  -0.206   0.791  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.153  -0.508  -0.338  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.665  -1.872   2.190  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.777  -1.555   3.394  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.041  -2.330   2.678  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.006   2.326   1.670  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.364   0.991   1.013  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.627   0.497   1.568  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.254  -0.026   1.288  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.615  -1.288   0.724  1.00  0.00           O  
HETATM   23  C   UNL     1       1.051   0.461   0.656  1.00  0.00           C  
HETATM   24  N   UNL     1       2.136  -0.458   1.007  1.00  0.00           N  
HETATM   25  C   UNL     1       0.895   0.508  -0.865  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.037   3.361   1.297  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.157   3.536   2.088  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.102   4.485   1.746  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.927   5.259   0.614  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.806   5.084  -0.176  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.859   4.138   0.168  1.00  0.00           C  
HETATM   32  C   UNL     1       2.144   1.084  -1.481  1.00  0.00           C  
HETATM   33  C   UNL     1       3.183   0.248  -1.845  1.00  0.00           C  
HETATM   34  C   UNL     1       4.329   0.776  -2.410  1.00  0.00           C  
HETATM   35  C   UNL     1       4.436   2.140  -2.611  1.00  0.00           C  
HETATM   36  C   UNL     1       3.396   2.975  -2.247  1.00  0.00           C  
HETATM   37  C   UNL     1       2.249   2.447  -1.686  1.00  0.00           C  
HETATM   38  N   UNL     1       5.764  -0.495   0.658  1.00  0.00           N  
HETATM   39  C   UNL     1       4.536  -0.990   1.285  1.00  0.00           C  
HETATM   40  C   UNL     1       3.412  -0.023   1.019  1.00  0.00           C  
HETATM   41  O   UNL     1       3.654   1.148   0.816  1.00  0.00           O  
HETATM   42  C   UNL     1       4.750  -1.121   2.794  1.00  0.00           C  
HETATM   43  C   UNL     1       3.490  -1.699   3.440  1.00  0.00           C  
HETATM   44  C   UNL     1       5.934  -2.053   3.062  1.00  0.00           C  
HETATM   45  C   UNL     1       6.740  -1.359   0.314  1.00  0.00           C  
HETATM   46  O   UNL     1       6.602  -2.547   0.524  1.00  0.00           O  
HETATM   47  O   UNL     1       7.869  -0.904  -0.262  1.00  0.00           O  
HETATM   48  C   UNL     1       8.878  -1.890  -0.605  1.00  0.00           C  
HETATM   49  C   UNL     1      10.061  -1.201  -1.235  1.00  0.00           C  
HETATM   50  C   UNL     1      11.101  -0.753  -0.443  1.00  0.00           C  
HETATM   51  C   UNL     1      12.186  -0.120  -1.020  1.00  0.00           C  
HETATM   52  C   UNL     1      12.231   0.063  -2.390  1.00  0.00           C  
HETATM   53  C   UNL     1      11.191  -0.386  -3.182  1.00  0.00           C  
HETATM   54  C   UNL     1      10.108  -1.023  -2.605  1.00  0.00           C  
HETATM   55  H   UNL     1      -9.609  -1.598   0.393  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.528   0.111  -0.099  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.252  -3.319  -1.194  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.502  -3.852  -3.247  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.030  -2.071  -4.864  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.308   0.242  -4.427  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.064   0.776  -2.369  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.363  -1.169  -0.651  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.235   0.189   1.931  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.207  -2.665   1.599  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.238  -0.766   3.988  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.661  -2.450   4.006  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.798  -1.224   3.046  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.674  -2.556   1.819  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.930  -3.224   3.292  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.500  -1.537   3.269  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.988   2.205   2.753  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.025   2.650   1.323  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.470   1.132  -0.062  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.853   0.677   2.494  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.119  -0.134   2.364  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.752  -1.267  -0.233  1.00  0.00           H  
HETATM   77  H   UNL     1       1.285   1.458   1.028  1.00  0.00           H  
HETATM   78  H   UNL     1       1.937  -1.381   1.231  1.00  0.00           H  
HETATM   79  H   UNL     1       0.734  -0.501  -1.245  1.00  0.00           H  
HETATM   80  H   UNL     1       0.041   1.134  -1.123  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.294   2.932   2.972  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.978   4.622   2.364  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.666   6.000   0.347  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.670   5.689  -1.060  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.982   4.004  -0.447  1.00  0.00           H  
HETATM   86  H   UNL     1       3.100  -0.817  -1.688  1.00  0.00           H  
HETATM   87  H   UNL     1       5.141   0.123  -2.694  1.00  0.00           H  
HETATM   88  H   UNL     1       5.331   2.552  -3.052  1.00  0.00           H  
HETATM   89  H   UNL     1       3.480   4.040  -2.404  1.00  0.00           H  
HETATM   90  H   UNL     1       1.435   3.099  -1.406  1.00  0.00           H  
HETATM   91  H   UNL     1       5.875   0.454   0.491  1.00  0.00           H  
HETATM   92  H   UNL     1       4.283  -1.965   0.868  1.00  0.00           H  
HETATM   93  H   UNL     1       4.958  -0.139   3.218  1.00  0.00           H  
HETATM   94  H   UNL     1       3.220  -2.630   2.941  1.00  0.00           H  
HETATM   95  H   UNL     1       3.679  -1.895   4.496  1.00  0.00           H  
HETATM   96  H   UNL     1       2.672  -0.985   3.344  1.00  0.00           H  
HETATM   97  H   UNL     1       6.832  -1.640   2.602  1.00  0.00           H  
HETATM   98  H   UNL     1       6.087  -2.146   4.137  1.00  0.00           H  
HETATM   99  H   UNL     1       5.727  -3.035   2.638  1.00  0.00           H  
HETATM  100  H   UNL     1       9.198  -2.411   0.297  1.00  0.00           H  
HETATM  101  H   UNL     1       8.458  -2.608  -1.310  1.00  0.00           H  
HETATM  102  H   UNL     1      11.066  -0.896   0.627  1.00  0.00           H  
HETATM  103  H   UNL     1      12.999   0.231  -0.402  1.00  0.00           H  
HETATM  104  H   UNL     1      13.079   0.558  -2.841  1.00  0.00           H  
HETATM  105  H   UNL     1      11.226  -0.243  -4.252  1.00  0.00           H  
HETATM  106  H   UNL     1       9.297  -1.377  -3.224  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   55   56                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6    8    8   58                                       
CONECT    8    7    7    9   59                                       
CONECT    9    8   10   10   60                                       
CONECT   10    5    9    9   61                                       
CONECT   11   12   62    1                                            
CONECT   12   11   13   15   63                                       
CONECT   13   12   14   14   20                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   64                                       
CONECT   16   15   65   66   67                                       
CONECT   17   15   68   69   70                                       
CONECT   18   19   26   71   72                                       
CONECT   19   18   20   21   73                                       
CONECT   20   19   74   13                                            
CONECT   21   19   22   23   75                                       
CONECT   22   21   76                                                 
CONECT   23   21   24   25   77                                       
CONECT   24   23   78   40                                            
CONECT   25   23   32   79   80                                       
CONECT   26   18   27   27   31                                       
CONECT   27   26   26   28   81                                       
CONECT   28   27   29   29   82                                       
CONECT   29   28   28   30   83                                       
CONECT   30   29   31   31   84                                       
CONECT   31   26   30   30   85                                       
CONECT   32   25   33   33   37                                       
CONECT   33   32   32   34   86                                       
CONECT   34   33   35   35   87                                       
CONECT   35   34   34   36   88                                       
CONECT   36   35   37   37   89                                       
CONECT   37   32   36   36   90                                       
CONECT   38   39   91   45                                            
CONECT   39   38   40   42   92                                       
CONECT   40   39   41   41   24                                       
CONECT   41   40   40                                                 
CONECT   42   39   43   44   93                                       
CONECT   43   42   94   95   96                                       
CONECT   44   42   97   98   99                                       
CONECT   45   46   46   47   38                                       
CONECT   46   45   45                                                 
CONECT   47   45   48                                                 
CONECT   48   47   49  100  101                                       
CONECT   49   48   50   50   54                                       
CONECT   50   49   49   51  102                                       
CONECT   51   50   52   52  103                                       
CONECT   52   51   51   53  104                                       
CONECT   53   52   54   54  105                                       
CONECT   54   49   53   53  106                                       
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   44                                                      
CONECT  100   48                                                      
CONECT  101   48                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   52                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
