COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.536   2.625   1.917  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.433   3.255   1.263  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.912   4.532   0.566  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.394   5.458   1.543  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.739   5.157  -0.195  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.191   6.309  -0.908  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.179   4.131  -1.184  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.968   4.726  -1.906  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.504   3.806  -2.896  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.780   2.956  -0.475  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.846   2.303   0.218  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.346   1.132   0.868  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.958   0.090  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.091  -0.934  -0.146  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.244  -0.309  -0.714  1.00  0.00           O  
HETATM   16  C   UNL     1      -8.484  -0.871  -0.279  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.584  -2.219  -0.741  1.00  0.00           O  
HETATM   18  C   UNL     1      -9.781  -2.887  -0.337  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.766  -4.324  -0.862  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.702  -5.047  -0.239  1.00  0.00           O  
HETATM   21  C   UNL     1     -10.994  -2.147  -0.909  1.00  0.00           C  
HETATM   22  O   UNL     1     -12.194  -2.779  -0.459  1.00  0.00           O  
HETATM   23  C   UNL     1     -10.969  -0.693  -0.427  1.00  0.00           C  
HETATM   24  O   UNL     1     -12.056   0.023  -1.015  1.00  0.00           O  
HETATM   25  C   UNL     1      -9.644  -0.050  -0.848  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.579   1.285  -0.342  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.635  -2.084  -1.048  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.658  -3.080  -1.107  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.355  -2.697  -0.473  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.859  -3.807  -1.401  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.732  -4.455  -0.809  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.352  -1.684  -0.363  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.704  -0.606   0.506  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.627   0.331   0.564  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.605  -0.016   1.501  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.034   0.221   2.942  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.813   0.718   3.696  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.236   0.036   3.436  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.332   0.860   1.345  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.141  -1.470   1.352  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.214  -1.860   2.495  1.00  0.00           C  
HETATM   42  C   UNL     1       0.875  -0.841   2.789  1.00  0.00           C  
HETATM   43  C   UNL     1       0.361   0.584   2.695  1.00  0.00           C  
HETATM   44  C   UNL     1       1.424   1.631   2.964  1.00  0.00           C  
HETATM   45  C   UNL     1       2.654   1.353   2.084  1.00  0.00           C  
HETATM   46  C   UNL     1       3.190  -0.025   2.466  1.00  0.00           C  
HETATM   47  C   UNL     1       2.191  -1.109   2.073  1.00  0.00           C  
HETATM   48  C   UNL     1       1.980  -1.194   0.565  1.00  0.00           C  
HETATM   49  C   UNL     1       2.743  -2.461   2.557  1.00  0.00           C  
HETATM   50  C   UNL     1       4.092  -2.728   1.895  1.00  0.00           C  
HETATM   51  C   UNL     1       5.104  -1.666   2.296  1.00  0.00           C  
HETATM   52  C   UNL     1       4.615  -0.246   2.016  1.00  0.00           C  
HETATM   53  C   UNL     1       5.530   0.697   2.839  1.00  0.00           C  
HETATM   54  C   UNL     1       4.832   0.096   0.566  1.00  0.00           C  
HETATM   55  O   UNL     1       3.939   0.593  -0.078  1.00  0.00           O  
HETATM   56  O   UNL     1       6.019  -0.151  -0.012  1.00  0.00           O  
HETATM   57  C   UNL     1       6.194   0.307  -1.379  1.00  0.00           C  
HETATM   58  O   UNL     1       5.409  -0.502  -2.257  1.00  0.00           O  
HETATM   59  C   UNL     1       5.489  -0.119  -3.631  1.00  0.00           C  
HETATM   60  C   UNL     1       4.591  -1.031  -4.469  1.00  0.00           C  
HETATM   61  O   UNL     1       3.226  -0.826  -4.098  1.00  0.00           O  
HETATM   62  C   UNL     1       6.937  -0.247  -4.111  1.00  0.00           C  
HETATM   63  O   UNL     1       7.031   0.190  -5.469  1.00  0.00           O  
HETATM   64  C   UNL     1       7.838   0.623  -3.230  1.00  0.00           C  
HETATM   65  O   UNL     1       9.201   0.452  -3.624  1.00  0.00           O  
HETATM   66  C   UNL     1       7.671   0.195  -1.768  1.00  0.00           C  
HETATM   67  O   UNL     1       8.452   1.048  -0.929  1.00  0.00           O  
HETATM   68  C   UNL     1       9.723   0.503  -0.570  1.00  0.00           C  
HETATM   69  O   UNL     1       9.536  -0.585   0.338  1.00  0.00           O  
HETATM   70  C   UNL     1      10.750  -1.221   0.744  1.00  0.00           C  
HETATM   71  C   UNL     1      10.426  -2.382   1.687  1.00  0.00           C  
HETATM   72  O   UNL     1       9.675  -3.373   0.983  1.00  0.00           O  
HETATM   73  C   UNL     1      11.639  -0.207   1.468  1.00  0.00           C  
HETATM   74  O   UNL     1      12.877  -0.826   1.823  1.00  0.00           O  
HETATM   75  C   UNL     1      11.908   0.980   0.538  1.00  0.00           C  
HETATM   76  O   UNL     1      12.677   1.965   1.231  1.00  0.00           O  
HETATM   77  C   UNL     1      10.571   1.587   0.102  1.00  0.00           C  
HETATM   78  O   UNL     1      10.808   2.649  -0.823  1.00  0.00           O  
HETATM   79  H   UNL     1      -7.305   1.809   2.380  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.669   3.506   1.998  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.713   4.289  -0.132  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.135   5.125   2.068  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.960   5.447   0.510  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.564   7.000  -0.343  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.946   3.872  -1.913  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.256   5.661  -2.386  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.173   4.917  -1.186  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.692   4.084  -3.341  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.622   2.020  -0.493  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.749   0.515  -1.012  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.336  -1.320   0.844  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.527  -0.855   0.810  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.842  -2.898   0.752  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.716  -4.805  -0.630  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.617  -4.315  -1.941  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.632  -5.968  -0.525  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.955  -2.171  -1.998  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.004  -2.362  -0.784  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.059  -0.667   0.659  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.102   0.953  -0.753  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.577  -0.031  -1.936  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.762   1.751  -0.567  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.438  -1.705  -2.051  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.436  -3.840  -1.662  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.562  -3.112   0.513  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.656  -4.534  -1.556  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.569  -3.377  -2.360  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.364  -5.172  -1.343  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.903  -0.994   1.505  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.934   1.761   3.976  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.622   0.099   4.567  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.415   0.189   4.490  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.044  -0.270   2.789  1.00  0.00           H  
HETATM  114  H   UNL     1       0.252   0.587   0.481  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.613   1.922   1.272  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.021  -2.124   1.372  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.645  -1.602   0.394  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.816  -1.994   3.401  1.00  0.00           H  
HETATM  119  H   UNL     1       0.244  -2.823   2.264  1.00  0.00           H  
HETATM  120  H   UNL     1       1.113  -0.993   3.876  1.00  0.00           H  
HETATM  121  H   UNL     1       1.029   2.619   2.734  1.00  0.00           H  
HETATM  122  H   UNL     1       1.715   1.588   4.014  1.00  0.00           H  
HETATM  123  H   UNL     1       2.364   1.387   1.039  1.00  0.00           H  
HETATM  124  H   UNL     1       3.399   2.123   2.279  1.00  0.00           H  
HETATM  125  H   UNL     1       3.213  -0.031   3.586  1.00  0.00           H  
HETATM  126  H   UNL     1       1.662  -0.222   0.187  1.00  0.00           H  
HETATM  127  H   UNL     1       2.914  -1.483   0.083  1.00  0.00           H  
HETATM  128  H   UNL     1       1.213  -1.937   0.347  1.00  0.00           H  
HETATM  129  H   UNL     1       2.866  -2.424   3.639  1.00  0.00           H  
HETATM  130  H   UNL     1       2.043  -3.251   2.294  1.00  0.00           H  
HETATM  131  H   UNL     1       4.458  -3.707   2.242  1.00  0.00           H  
HETATM  132  H   UNL     1       3.999  -2.784   0.814  1.00  0.00           H  
HETATM  133  H   UNL     1       5.330  -1.761   3.364  1.00  0.00           H  
HETATM  134  H   UNL     1       6.037  -1.832   1.742  1.00  0.00           H  
HETATM  135  H   UNL     1       5.463   0.436   3.896  1.00  0.00           H  
HETATM  136  H   UNL     1       6.561   0.588   2.503  1.00  0.00           H  
HETATM  137  H   UNL     1       5.208   1.729   2.699  1.00  0.00           H  
HETATM  138  H   UNL     1       5.875   1.346  -1.458  1.00  0.00           H  
HETATM  139  H   UNL     1       5.160   0.915  -3.740  1.00  0.00           H  
HETATM  140  H   UNL     1       4.720  -0.797  -5.525  1.00  0.00           H  
HETATM  141  H   UNL     1       4.863  -2.072  -4.291  1.00  0.00           H  
HETATM  142  H   UNL     1       2.599  -1.373  -4.590  1.00  0.00           H  
HETATM  143  H   UNL     1       7.253  -1.288  -4.041  1.00  0.00           H  
HETATM  144  H   UNL     1       6.481  -0.314  -6.083  1.00  0.00           H  
HETATM  145  H   UNL     1       7.555   1.669  -3.340  1.00  0.00           H  
HETATM  146  H   UNL     1       9.378   0.698  -4.543  1.00  0.00           H  
HETATM  147  H   UNL     1       8.002  -0.836  -1.649  1.00  0.00           H  
HETATM  148  H   UNL     1      10.232   0.146  -1.465  1.00  0.00           H  
HETATM  149  H   UNL     1      11.272  -1.601  -0.135  1.00  0.00           H  
HETATM  150  H   UNL     1      11.354  -2.821   2.053  1.00  0.00           H  
HETATM  151  H   UNL     1       9.842  -2.013   2.529  1.00  0.00           H  
HETATM  152  H   UNL     1       9.500  -4.173   1.497  1.00  0.00           H  
HETATM  153  H   UNL     1      11.134   0.143   2.368  1.00  0.00           H  
HETATM  154  H   UNL     1      13.491  -0.240   2.287  1.00  0.00           H  
HETATM  155  H   UNL     1      12.457   0.638  -0.340  1.00  0.00           H  
HETATM  156  H   UNL     1      12.885   2.747   0.701  1.00  0.00           H  
HETATM  157  H   UNL     1      10.045   1.973   0.975  1.00  0.00           H  
HETATM  158  H   UNL     1      10.003   3.077  -1.146  1.00  0.00           H  
CONECT    1    2   79                                                 
CONECT    2   11    1    3   80                                       
CONECT    3    2    5    4   81                                       
CONECT    4    3   82                                                 
CONECT    5    7    3    6   83                                       
CONECT    6    5   84                                                 
CONECT    7   10    8    5   85                                       
CONECT    8    9    7   86   87                                       
CONECT    9    8   88                                                 
CONECT   10   11    7                                                 
CONECT   11   12   10    2   89                                       
CONECT   12   13   11                                                 
CONECT   13   33   14   12   90                                       
CONECT   14   27   13   15   91                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   25   92                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   21   93                                       
CONECT   19   20   18   94   95                                       
CONECT   20   19   96                                                 
CONECT   21   18   23   22   97                                       
CONECT   22   21   98                                                 
CONECT   23   25   21   24   99                                       
CONECT   24   23  100                                                 
CONECT   25   16   26   23  101                                       
CONECT   26   25  102                                                 
CONECT   27   29   28   14  103                                       
CONECT   28   27  104                                                 
CONECT   29   30   32   27  105                                       
CONECT   30   31   29  106  107                                       
CONECT   31   30  108                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   13  109                                       
CONECT   34   35   33                                                 
CONECT   35   36   40   34   39                                       
CONECT   36   38   38   37   35                                       
CONECT   37   36   43  110  111                                       
CONECT   38   36   36  112  113                                       
CONECT   39   35   43  114  115                                       
CONECT   40   41   35  116  117                                       
CONECT   41   40   42  118  119                                       
CONECT   42   41   43   47  120                                       
CONECT   43   37   42   39   44                                       
CONECT   44   43   45  121  122                                       
CONECT   45   44   46  123  124                                       
CONECT   46   47   45   52  125                                       
CONECT   47   42   49   48   46                                       
CONECT   48   47  126  127  128                                       
CONECT   49   47   50  129  130                                       
CONECT   50   49   51  131  132                                       
CONECT   51   50   52  133  134                                       
CONECT   52   46   51   53   54                                       
CONECT   53   52  135  136  137                                       
CONECT   54   52   56   55   55                                       
CONECT   55   54   54                                                 
CONECT   56   54   57                                                 
CONECT   57   56   58   66  138                                       
CONECT   58   57   59                                                 
CONECT   59   58   60   62  139                                       
CONECT   60   61   59  140  141                                       
CONECT   61   60  142                                                 
CONECT   62   59   64   63  143                                       
CONECT   63   62  144                                                 
CONECT   64   66   62   65  145                                       
CONECT   65   64  146                                                 
CONECT   66   57   67   64  147                                       
CONECT   67   66   68                                                 
CONECT   68   69   67   77  148                                       
CONECT   69   70   68                                                 
CONECT   70   71   69   73  149                                       
CONECT   71   72   70  150  151                                       
CONECT   72   71  152                                                 
CONECT   73   70   74   75  153                                       
CONECT   74   73  154                                                 
CONECT   75   73   77   76  155                                       
CONECT   76   75  156                                                 
CONECT   77   68   75   78  157                                       
CONECT   78   77  158                                                 
CONECT   79    1                                                      
CONECT   80    2                                                      
CONECT   81    3                                                      
CONECT   82    4                                                      
CONECT   83    5                                                      
CONECT   84    6                                                      
CONECT   85    7                                                      
CONECT   86    8                                                      
CONECT   87    8                                                      
CONECT   88    9                                                      
CONECT   89   11                                                      
CONECT   90   13                                                      
CONECT   91   14                                                      
CONECT   92   16                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   21                                                      
CONECT   98   22                                                      
CONECT   99   23                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   29                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   33                                                      
CONECT  110   37                                                      
CONECT  111   37                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   40                                                      
CONECT  117   40                                                      
CONECT  118   41                                                      
CONECT  119   41                                                      
CONECT  120   42                                                      
CONECT  121   44                                                      
CONECT  122   44                                                      
CONECT  123   45                                                      
CONECT  124   45                                                      
CONECT  125   46                                                      
CONECT  126   48                                                      
CONECT  127   48                                                      
CONECT  128   48                                                      
CONECT  129   49                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   51                                                      
CONECT  135   53                                                      
CONECT  136   53                                                      
CONECT  137   53                                                      
CONECT  138   57                                                      
CONECT  139   59                                                      
CONECT  140   60                                                      
CONECT  141   60                                                      
CONECT  142   61                                                      
CONECT  143   62                                                      
CONECT  144   63                                                      
CONECT  145   64                                                      
CONECT  146   65                                                      
CONECT  147   66                                                      
CONECT  148   68                                                      
CONECT  149   70                                                      
CONECT  150   71                                                      
CONECT  151   71                                                      
CONECT  152   72                                                      
CONECT  153   73                                                      
CONECT  154   74                                                      
CONECT  155   75                                                      
CONECT  156   76                                                      
CONECT  157   77                                                      
CONECT  158   78                                                      
MASTER        0    0    0    0    0    0    0    0  158    0  158    0
END
