COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.523   0.985  -1.860  1.00  0.00           O  
HETATM    2  O   UNL     1       8.906   2.447  -0.019  1.00  0.00           O  
HETATM    3  C   UNL     1       8.579   0.274  -1.573  1.00  0.00           C  
HETATM    4  N   UNL     1       7.719   0.621  -0.581  1.00  0.00           N  
HETATM    5  C   UNL     1       8.130   1.572   0.301  1.00  0.00           C  
HETATM    6  N   UNL     1       7.626   1.527   1.568  1.00  0.00           N  
HETATM    7  C   UNL     1       7.225   0.216   2.104  1.00  0.00           C  
HETATM    8  C   UNL     1       8.384  -1.028  -2.309  1.00  0.00           C  
HETATM    9  C   UNL     1       6.902  -1.331  -2.516  1.00  0.00           C  
HETATM   10  C   UNL     1       6.685  -1.809  -3.933  1.00  0.00           C  
HETATM   11  C   UNL     1       5.843  -1.109  -4.777  1.00  0.00           C  
HETATM   12  C   UNL     1       5.644  -1.545  -6.073  1.00  0.00           C  
HETATM   13  C   UNL     1       6.288  -2.682  -6.526  1.00  0.00           C  
HETATM   14  C   UNL     1       7.131  -3.381  -5.683  1.00  0.00           C  
HETATM   15  C   UNL     1       7.333  -2.942  -4.387  1.00  0.00           C  
HETATM   16  C   UNL     1       6.453  -2.430  -1.546  1.00  0.00           C  
HETATM   17  C   UNL     1       5.881  -1.781  -0.281  1.00  0.00           C  
HETATM   18  O   UNL     1       4.809  -0.908  -0.646  1.00  0.00           O  
HETATM   19  N   UNL     1       5.374  -2.841   0.624  1.00  0.00           N  
HETATM   20  C   UNL     1       5.151  -2.453   1.970  1.00  0.00           C  
HETATM   21  C   UNL     1       4.652  -3.422   2.833  1.00  0.00           C  
HETATM   22  C   UNL     1       4.408  -3.118   4.159  1.00  0.00           C  
HETATM   23  C   UNL     1       3.850  -4.168   5.086  1.00  0.00           C  
HETATM   24  C   UNL     1       4.683  -1.853   4.640  1.00  0.00           C  
HETATM   25  C   UNL     1       4.421  -1.521   6.085  1.00  0.00           C  
HETATM   26  C   UNL     1       5.194  -0.884   3.791  1.00  0.00           C  
HETATM   27  C   UNL     1       5.402  -1.176   2.453  1.00  0.00           C  
HETATM   28  N   UNL     1       5.865  -0.136   1.584  1.00  0.00           N  
HETATM   29  C   UNL     1       4.997   1.048   1.907  1.00  0.00           C  
HETATM   30  C   UNL     1       3.718   0.988   1.069  1.00  0.00           C  
HETATM   31  O   UNL     1       4.041   1.186  -0.308  1.00  0.00           O  
HETATM   32  C   UNL     1       2.754   2.083   1.530  1.00  0.00           C  
HETATM   33  O   UNL     1       2.431   1.885   2.907  1.00  0.00           O  
HETATM   34  C   UNL     1       1.475   2.022   0.692  1.00  0.00           C  
HETATM   35  O   UNL     1       1.799   2.220  -0.686  1.00  0.00           O  
HETATM   36  C   UNL     1       0.512   3.118   1.152  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.727   2.989   0.451  1.00  0.00           O  
HETATM   38  P   UNL     1      -1.975   3.978   0.686  1.00  0.00           P  
HETATM   39  O   UNL     1      -2.326   3.996   2.123  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.578   5.464   0.211  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.238   3.461  -0.169  1.00  0.00           O  
HETATM   42  P   UNL     1      -4.813   3.790  -0.147  1.00  0.00           P  
HETATM   43  O   UNL     1      -5.271   3.919   1.254  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.083   5.172  -0.929  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.621   2.599  -0.869  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.048   2.545  -0.919  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.485   1.288  -1.675  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.121   0.117  -0.925  1.00  0.00           O  
HETATM   49  C   UNL     1      -9.018   1.276  -1.829  1.00  0.00           C  
HETATM   50  O   UNL     1      -9.382   1.262  -3.211  1.00  0.00           O  
HETATM   51  C   UNL     1      -9.458  -0.039  -1.140  1.00  0.00           C  
HETATM   52  O   UNL     1     -10.485  -0.689  -1.890  1.00  0.00           O  
HETATM   53  C   UNL     1      -8.149  -0.869  -1.159  1.00  0.00           C  
HETATM   54  N   UNL     1      -8.157  -1.870  -0.090  1.00  0.00           N  
HETATM   55  C   UNL     1      -7.683  -1.700   1.177  1.00  0.00           C  
HETATM   56  N   UNL     1      -7.849  -2.793   1.864  1.00  0.00           N  
HETATM   57  C   UNL     1      -8.438  -3.731   1.084  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.648  -3.148  -0.177  1.00  0.00           C  
HETATM   59  N   UNL     1      -9.225  -3.868  -1.134  1.00  0.00           N  
HETATM   60  C   UNL     1      -9.599  -5.110  -0.906  1.00  0.00           C  
HETATM   61  N   UNL     1      -9.426  -5.699   0.264  1.00  0.00           N  
HETATM   62  C   UNL     1      -8.850  -5.061   1.277  1.00  0.00           C  
HETATM   63  N   UNL     1      -8.675  -5.686   2.499  1.00  0.00           N  
HETATM   64  H   UNL     1       6.818   0.257  -0.532  1.00  0.00           H  
HETATM   65  H   UNL     1       7.545   2.344   2.098  1.00  0.00           H  
HETATM   66  H   UNL     1       7.920  -0.555   1.778  1.00  0.00           H  
HETATM   67  H   UNL     1       7.180   0.248   3.188  1.00  0.00           H  
HETATM   68  H   UNL     1       8.875  -0.959  -3.285  1.00  0.00           H  
HETATM   69  H   UNL     1       8.848  -1.833  -1.736  1.00  0.00           H  
HETATM   70  H   UNL     1       6.312  -0.431  -2.351  1.00  0.00           H  
HETATM   71  H   UNL     1       5.339  -0.221  -4.423  1.00  0.00           H  
HETATM   72  H   UNL     1       4.986  -0.999  -6.732  1.00  0.00           H  
HETATM   73  H   UNL     1       6.133  -3.023  -7.539  1.00  0.00           H  
HETATM   74  H   UNL     1       7.634  -4.269  -6.036  1.00  0.00           H  
HETATM   75  H   UNL     1       7.995  -3.486  -3.730  1.00  0.00           H  
HETATM   76  H   UNL     1       5.686  -3.042  -2.020  1.00  0.00           H  
HETATM   77  H   UNL     1       7.306  -3.053  -1.282  1.00  0.00           H  
HETATM   78  H   UNL     1       6.683  -1.239   0.214  1.00  0.00           H  
HETATM   79  H   UNL     1       4.203  -0.704   0.080  1.00  0.00           H  
HETATM   80  H   UNL     1       5.201  -3.750   0.316  1.00  0.00           H  
HETATM   81  H   UNL     1       4.453  -4.414   2.457  1.00  0.00           H  
HETATM   82  H   UNL     1       4.671  -4.715   5.552  1.00  0.00           H  
HETATM   83  H   UNL     1       3.249  -3.689   5.858  1.00  0.00           H  
HETATM   84  H   UNL     1       3.229  -4.861   4.518  1.00  0.00           H  
HETATM   85  H   UNL     1       5.311  -1.739   6.676  1.00  0.00           H  
HETATM   86  H   UNL     1       4.175  -0.463   6.176  1.00  0.00           H  
HETATM   87  H   UNL     1       3.586  -2.120   6.450  1.00  0.00           H  
HETATM   88  H   UNL     1       5.448   0.079   4.209  1.00  0.00           H  
HETATM   89  H   UNL     1       4.739   1.031   2.966  1.00  0.00           H  
HETATM   90  H   UNL     1       5.537   1.968   1.680  1.00  0.00           H  
HETATM   91  H   UNL     1       3.247   0.013   1.196  1.00  0.00           H  
HETATM   92  H   UNL     1       4.537   1.997  -0.483  1.00  0.00           H  
HETATM   93  H   UNL     1       3.225   3.058   1.403  1.00  0.00           H  
HETATM   94  H   UNL     1       2.008   1.036   3.094  1.00  0.00           H  
HETATM   95  H   UNL     1       1.004   1.048   0.818  1.00  0.00           H  
HETATM   96  H   UNL     1       2.222   3.069  -0.873  1.00  0.00           H  
HETATM   97  H   UNL     1       0.335   3.020   2.223  1.00  0.00           H  
HETATM   98  H   UNL     1       0.947   4.095   0.944  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.336   5.528  -0.723  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.807   5.160  -1.856  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.447   2.517   0.094  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.427   3.428  -1.434  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.011   1.263  -2.656  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.459   2.137  -1.327  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.336   1.254  -3.366  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.785   0.148  -0.117  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.295  -0.168  -1.983  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.011  -1.345  -2.130  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.235  -0.793   1.555  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.065  -5.667  -1.705  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.263  -5.206   3.235  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.963  -6.604   2.620  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    5    5                                                 
CONECT    3    1    1    4    8                                       
CONECT    4    3    5   64                                            
CONECT    5    2    2    4    6                                       
CONECT    6    5    7   65                                            
CONECT    7    6   28   66   67                                       
CONECT    8    3    9   68   69                                       
CONECT    9    8   10   16   70                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   71                                       
CONECT   12   11   13   13   72                                       
CONECT   13   12   12   14   73                                       
CONECT   14   13   15   15   74                                       
CONECT   15   10   14   14   75                                       
CONECT   16    9   17   76   77                                       
CONECT   17   16   18   19   78                                       
CONECT   18   17   79                                                 
CONECT   19   17   20   80                                            
CONECT   20   19   21   21   27                                       
CONECT   21   20   20   22   81                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   82   83   84                                       
CONECT   24   22   22   25   26                                       
CONECT   25   24   85   86   87                                       
CONECT   26   24   27   27   88                                       
CONECT   27   20   26   26   28                                       
CONECT   28    7   27   29                                            
CONECT   29   28   30   89   90                                       
CONECT   30   29   31   32   91                                       
CONECT   31   30   92                                                 
CONECT   32   30   33   34   93                                       
CONECT   33   32   94                                                 
CONECT   34   32   35   36   95                                       
CONECT   35   34   96                                                 
CONECT   36   34   37   97   98                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   39   40                                       
CONECT   38   41                                                      
CONECT   39   38   38                                                 
CONECT   40   38   99                                                 
CONECT   41   38   42                                                 
CONECT   42   41   43   43   44                                       
CONECT   42   45                                                      
CONECT   43   42   42                                                 
CONECT   44   42  100                                                 
CONECT   45   42   46                                                 
CONECT   46   45   47  101  102                                       
CONECT   47   46   48   49  103                                       
CONECT   48   47   53                                                 
CONECT   49   47   50   51  104                                       
CONECT   50   49  105                                                 
CONECT   51   49   52   53  106                                       
CONECT   52   51  107                                                 
CONECT   53   48   51   54  108                                       
CONECT   54   53   55   58                                            
CONECT   55   54   56   56  109                                       
CONECT   56   55   55   57                                            
CONECT   57   56   58   58   62                                       
CONECT   58   54   57   57   59                                       
CONECT   59   58   60   60                                            
CONECT   60   59   59   61  110                                       
CONECT   61   60   62   62                                            
CONECT   62   57   61   61   63                                       
CONECT   63   62  111  112                                            
CONECT   64    4                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   21                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   40                                                      
CONECT  100   44                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   49                                                      
CONECT  105   50                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   55                                                      
CONECT  110   60                                                      
CONECT  111   63                                                      
CONECT  112   63                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
