COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.647   0.957   0.990  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.448   1.176  -0.188  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.403   1.764  -0.934  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.644   2.108  -0.264  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.354   3.085   0.877  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.287   0.840   0.301  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.599   2.762  -1.265  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.272   0.831  -0.749  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.234   0.191   0.063  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.882   0.461  -0.547  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.795   1.122  -1.560  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.480  -1.318   0.109  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.775  -1.594   0.830  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.960  -1.655   0.121  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.777  -1.790   2.198  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.148  -1.908   0.781  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.965  -2.043   2.858  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.151  -2.099   2.151  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.771  -0.033   0.033  1.00  0.00           N  
HETATM   20  C   UNL     1       0.543   0.229  -0.560  1.00  0.00           C  
HETATM   21  C   UNL     1       1.504  -0.858  -0.152  1.00  0.00           C  
HETATM   22  O   UNL     1       1.129  -1.762   0.563  1.00  0.00           O  
HETATM   23  C   UNL     1       1.064   1.581  -0.068  1.00  0.00           C  
HETATM   24  C   UNL     1       0.169   2.681  -0.579  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.881   3.253   0.086  1.00  0.00           N  
HETATM   26  C   UNL     1       0.249   3.288  -1.779  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.411   4.188  -0.734  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.726   4.207  -1.844  1.00  0.00           N  
HETATM   29  N   UNL     1       2.781  -0.824  -0.583  1.00  0.00           N  
HETATM   30  O   UNL     1       5.444  -0.919  -1.575  1.00  0.00           O  
HETATM   31  N   UNL     1       8.134   1.814   2.141  1.00  0.00           N  
HETATM   32  O   UNL     1       5.971   1.598   2.580  1.00  0.00           O  
HETATM   33  C   UNL     1       3.715  -1.881  -0.187  1.00  0.00           C  
HETATM   34  C   UNL     1       3.578  -3.068  -1.143  1.00  0.00           C  
HETATM   35  C   UNL     1       2.185  -3.683  -0.995  1.00  0.00           C  
HETATM   36  C   UNL     1       2.034  -4.274   0.408  1.00  0.00           C  
HETATM   37  C   UNL     1       2.003  -4.789  -2.037  1.00  0.00           C  
HETATM   38  C   UNL     1       0.641  -4.889   0.555  1.00  0.00           C  
HETATM   39  C   UNL     1       0.610  -5.404  -1.890  1.00  0.00           C  
HETATM   40  C   UNL     1       0.459  -5.995  -0.486  1.00  0.00           C  
HETATM   41  C   UNL     1       5.147  -1.344  -0.243  1.00  0.00           C  
HETATM   42  C   UNL     1       5.284  -0.157   0.713  1.00  0.00           C  
HETATM   43  C   UNL     1       6.753   0.261   0.800  1.00  0.00           C  
HETATM   44  C   UNL     1       7.187   0.880  -0.530  1.00  0.00           C  
HETATM   45  C   UNL     1       6.689   2.325  -0.606  1.00  0.00           C  
HETATM   46  C   UNL     1       7.249   2.992  -1.864  1.00  0.00           C  
HETATM   47  C   UNL     1       5.160   2.335  -0.662  1.00  0.00           C  
HETATM   48  C   UNL     1       6.923   1.272   1.904  1.00  0.00           C  
HETATM   49  C   UNL     1       8.325   2.713   3.282  1.00  0.00           C  
HETATM   50  H   UNL     1      -6.896   3.989   0.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.286   3.344   1.380  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.674   2.620   1.590  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.607   0.375   1.014  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.219   1.099   0.804  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.494   0.144  -0.511  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.806   2.065  -2.078  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.531   3.020  -0.762  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.141   3.665  -1.668  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.112   1.010  -1.688  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.263   0.595   1.075  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.539  -1.708  -0.907  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.660  -1.804   0.638  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.959  -1.506  -0.949  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.850  -1.747   2.751  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.074  -1.956   0.228  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.966  -2.197   3.927  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.079  -2.297   2.667  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.840  -0.562   0.843  1.00  0.00           H  
HETATM   69  H   UNL     1       0.454   0.248  -1.646  1.00  0.00           H  
HETATM   70  H   UNL     1       1.069   1.594   1.022  1.00  0.00           H  
HETATM   71  H   UNL     1       2.078   1.736  -0.437  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.190   3.028   0.977  1.00  0.00           H  
HETATM   73  H   UNL     1       0.974   3.076  -2.550  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.256   4.820  -0.504  1.00  0.00           H  
HETATM   75  H   UNL     1       3.081  -0.101  -1.155  1.00  0.00           H  
HETATM   76  H   UNL     1       4.816  -0.277  -1.932  1.00  0.00           H  
HETATM   77  H   UNL     1       3.488  -2.205   0.829  1.00  0.00           H  
HETATM   78  H   UNL     1       3.718  -2.726  -2.168  1.00  0.00           H  
HETATM   79  H   UNL     1       4.333  -3.816  -0.903  1.00  0.00           H  
HETATM   80  H   UNL     1       1.429  -2.912  -1.148  1.00  0.00           H  
HETATM   81  H   UNL     1       2.790  -5.045   0.561  1.00  0.00           H  
HETATM   82  H   UNL     1       2.164  -3.486   1.150  1.00  0.00           H  
HETATM   83  H   UNL     1       2.110  -4.368  -3.036  1.00  0.00           H  
HETATM   84  H   UNL     1       2.758  -5.560  -1.884  1.00  0.00           H  
HETATM   85  H   UNL     1       0.534  -5.310   1.555  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.115  -4.119   0.403  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.146  -4.633  -2.042  1.00  0.00           H  
HETATM   88  H   UNL     1       0.480  -6.192  -2.632  1.00  0.00           H  
HETATM   89  H   UNL     1       1.215  -6.766  -0.334  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.533  -6.433  -0.381  1.00  0.00           H  
HETATM   91  H   UNL     1       5.842  -2.130   0.052  1.00  0.00           H  
HETATM   92  H   UNL     1       4.690   0.678   0.343  1.00  0.00           H  
HETATM   93  H   UNL     1       4.929  -0.445   1.703  1.00  0.00           H  
HETATM   94  H   UNL     1       7.368  -0.614   1.011  1.00  0.00           H  
HETATM   95  H   UNL     1       8.274   0.867  -0.600  1.00  0.00           H  
HETATM   96  H   UNL     1       6.762   0.306  -1.354  1.00  0.00           H  
HETATM   97  H   UNL     1       7.024   2.872   0.275  1.00  0.00           H  
HETATM   98  H   UNL     1       6.914   2.445  -2.745  1.00  0.00           H  
HETATM   99  H   UNL     1       6.894   4.021  -1.918  1.00  0.00           H  
HETATM  100  H   UNL     1       8.338   2.985  -1.824  1.00  0.00           H  
HETATM  101  H   UNL     1       4.816   1.572  -1.361  1.00  0.00           H  
HETATM  102  H   UNL     1       4.759   2.126   0.330  1.00  0.00           H  
HETATM  103  H   UNL     1       4.815   3.314  -0.995  1.00  0.00           H  
HETATM  104  H   UNL     1       8.880   1.609   1.555  1.00  0.00           H  
HETATM  105  H   UNL     1       7.666   3.575   3.179  1.00  0.00           H  
HETATM  106  H   UNL     1       8.088   2.183   4.205  1.00  0.00           H  
HETATM  107  H   UNL     1       9.361   3.049   3.311  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    1    1    3                                       
CONECT    3    4    2                                                 
CONECT    4    3    5    7    6                                       
CONECT    5    4   50   51   52                                       
CONECT    6    4   53   54   55                                       
CONECT    7    4   56   57   58                                       
CONECT    8    9   59    2                                            
CONECT    9    8   10   12   60                                       
CONECT   10   11   11    9   19                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   61   62                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   16   16   63                                       
CONECT   15   13   13   17   64                                       
CONECT   16   14   14   65   18                                       
CONECT   17   15   18   18   66                                       
CONECT   18   17   17   16   67                                       
CONECT   19   20   68   10                                            
CONECT   20   19   21   69   23                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21                                                 
CONECT   23   20   70   71   24                                       
CONECT   24   25   23   26   26                                       
CONECT   25   24   72   27                                            
CONECT   26   28   24   24   73                                       
CONECT   27   28   28   25   74                                       
CONECT   28   27   27   26                                            
CONECT   29   21   33   75                                            
CONECT   30   41   76                                                 
CONECT   31   49   48  104                                            
CONECT   32   48   48                                                 
CONECT   33   29   41   34   77                                       
CONECT   34   33   78   79   35                                       
CONECT   35   34   37   36   80                                       
CONECT   36   35   81   82   38                                       
CONECT   37   35   83   84   39                                       
CONECT   38   36   40   85   86                                       
CONECT   39   37   40   87   88                                       
CONECT   40   38   39   89   90                                       
CONECT   41   30   33   91   42                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   48   94   44                                       
CONECT   44   43   45   95   96                                       
CONECT   45   44   97   46   47                                       
CONECT   46   45   98   99  100                                       
CONECT   47   45  101  102  103                                       
CONECT   48   32   32   43   31                                       
CONECT   49   31  105  106  107                                       
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   31                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
