COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.013  -4.085   1.690  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.513  -4.021   1.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.287  -4.693   2.528  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.997  -3.966   3.842  1.00  0.00           C  
HETATM    5  C   UNL     1       1.215  -3.691  -2.468  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.894  -1.113  -3.147  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.138  -0.179  -2.657  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.397   0.760  -2.150  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.656   1.700  -1.643  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.497  -4.030   4.140  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.723  -3.358   3.004  1.00  0.00           C  
HETATM   12  C   UNL     1       1.498  -2.526  -3.418  1.00  0.00           C  
HETATM   13  C   UNL     1       0.176  -1.973  -3.956  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.844  -0.720  -2.045  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.103   0.219  -1.538  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.362   1.159  -1.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.621   2.099  -0.525  1.00  0.00           C  
HETATM   18  C   UNL     1     -18.656   5.858   1.502  1.00  0.00           C  
HETATM   19  C   UNL     1     -19.950   6.399   0.891  1.00  0.00           C  
HETATM   20  C   UNL     1     -20.915   6.797   2.009  1.00  0.00           C  
HETATM   21  C   UNL     1       3.546  -1.538  -2.704  1.00  0.00           C  
HETATM   22  C   UNL     1       4.348  -0.486  -1.983  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.812  -5.441  -0.857  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.720  -4.593   4.903  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.226  -3.351   5.368  1.00  0.00           O  
HETATM   26  O   UNL     1       1.048  -4.661   0.661  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.290  -3.458   0.629  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.919  -2.656   1.281  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.687  -4.633   2.250  1.00  0.00           O  
HETATM   30  C   UNL     1     -10.915   2.640  -1.136  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.880   3.038  -0.018  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.173   3.579  -0.630  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.138   3.978   0.489  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.432   4.519  -0.123  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.397   4.918   0.996  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.691   5.459   0.384  1.00  0.00           C  
HETATM   37  C   UNL     1       5.840  -0.785  -2.139  1.00  0.00           C  
HETATM   38  C   UNL     1       6.655   0.283  -1.407  1.00  0.00           C  
HETATM   39  C   UNL     1       8.147  -0.017  -1.563  1.00  0.00           C  
HETATM   40  C   UNL     1       8.961   1.052  -0.830  1.00  0.00           C  
HETATM   41  C   UNL     1      10.453   0.752  -0.986  1.00  0.00           C  
HETATM   42  C   UNL     1      11.267   1.821  -0.254  1.00  0.00           C  
HETATM   43  C   UNL     1      12.759   1.521  -0.410  1.00  0.00           C  
HETATM   44  C   UNL     1      13.573   2.590   0.322  1.00  0.00           C  
HETATM   45  C   UNL     1      15.066   2.290   0.167  1.00  0.00           C  
HETATM   46  C   UNL     1      15.880   3.359   0.899  1.00  0.00           C  
HETATM   47  C   UNL     1      17.372   3.059   0.743  1.00  0.00           C  
HETATM   48  C   UNL     1      18.186   4.127   1.475  1.00  0.00           C  
HETATM   49  C   UNL     1      19.678   3.828   1.319  1.00  0.00           C  
HETATM   50  C   UNL     1      20.492   4.896   2.052  1.00  0.00           C  
HETATM   51  C   UNL     1      21.985   4.596   1.896  1.00  0.00           C  
HETATM   52  C   UNL     1      22.799   5.665   2.628  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.322  -3.418   3.282  1.00  0.00           O  
HETATM   54  O   UNL     1       0.318  -3.261  -1.442  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.687  -1.617  -2.844  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.218  -0.975  -4.302  1.00  0.00           O  
HETATM   57  O   UNL     1       2.205  -1.478  -2.703  1.00  0.00           O  
HETATM   58  O   UNL     1       4.111  -2.436  -3.284  1.00  0.00           O  
HETATM   59  P   UNL     1      -0.198  -4.232  -0.265  1.00  0.00           P  
HETATM   60  H   UNL     1      -1.704  -5.127   1.774  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.719  -4.539   0.455  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.977  -5.734   2.612  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.306  -2.924   3.758  1.00  0.00           H  
HETATM   64  H   UNL     1       0.764  -4.512  -3.024  1.00  0.00           H  
HETATM   65  H   UNL     1       2.149  -4.027  -2.017  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.913   0.693  -3.270  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.597  -0.950  -3.275  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.172   1.633  -2.764  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.856  -0.010  -2.769  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.431   2.572  -2.257  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.115   0.929  -2.262  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.188  -5.071   4.225  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.033  -2.317   2.920  1.00  0.00           H  
HETATM   74  H   UNL     1       2.111  -2.875  -4.250  1.00  0.00           H  
HETATM   75  H   UNL     1       0.372  -1.089  -4.562  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.313  -2.732  -4.567  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.069  -1.593  -1.431  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.385   0.050  -1.426  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.328  -0.653  -0.925  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.643   0.990  -0.920  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.587   0.287  -0.418  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.902   1.930  -0.413  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.846   1.227   0.089  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.161   2.870   0.094  1.00  0.00           H  
HETATM   85  H   UNL     1     -18.197   6.628   2.121  1.00  0.00           H  
HETATM   86  H   UNL     1     -18.881   4.985   2.116  1.00  0.00           H  
HETATM   87  H   UNL     1     -19.725   7.271   0.277  1.00  0.00           H  
HETATM   88  H   UNL     1     -20.410   5.628   0.272  1.00  0.00           H  
HETATM   89  H   UNL     1     -21.837   7.183   1.574  1.00  0.00           H  
HETATM   90  H   UNL     1     -21.140   5.925   2.623  1.00  0.00           H  
HETATM   91  H   UNL     1     -20.455   7.568   2.628  1.00  0.00           H  
HETATM   92  H   UNL     1       4.128   0.494  -2.408  1.00  0.00           H  
HETATM   93  H   UNL     1       4.085  -0.490  -0.925  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.583  -4.184   5.769  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.685  -3.724   6.133  1.00  0.00           H  
HETATM   96  H   UNL     1       1.499  -3.917   1.082  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.860  -2.539   1.093  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.241  -5.041   2.930  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.689   3.512  -1.750  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.374   1.869  -1.755  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.105   2.166   0.596  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.420   3.809   0.601  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.948   4.452  -1.243  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.633   2.809  -1.248  1.00  0.00           H  
HETATM  105  H   UNL     1     -14.363   3.106   1.103  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.679   4.749   1.107  1.00  0.00           H  
HETATM  107  H   UNL     1     -15.207   5.391  -0.737  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.892   3.748  -0.742  1.00  0.00           H  
HETATM  109  H   UNL     1     -16.622   4.046   1.609  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.938   5.689   1.614  1.00  0.00           H  
HETATM  111  H   UNL     1     -18.151   4.688  -0.235  1.00  0.00           H  
HETATM  112  H   UNL     1     -17.466   6.331  -0.230  1.00  0.00           H  
HETATM  113  H   UNL     1       6.061  -1.765  -1.714  1.00  0.00           H  
HETATM  114  H   UNL     1       6.103  -0.781  -3.197  1.00  0.00           H  
HETATM  115  H   UNL     1       6.434   1.262  -1.832  1.00  0.00           H  
HETATM  116  H   UNL     1       6.392   0.279  -0.349  1.00  0.00           H  
HETATM  117  H   UNL     1       8.367  -0.996  -1.138  1.00  0.00           H  
HETATM  118  H   UNL     1       8.410  -0.012  -2.620  1.00  0.00           H  
HETATM  119  H   UNL     1       8.741   2.031  -1.255  1.00  0.00           H  
HETATM  120  H   UNL     1       8.698   1.048   0.228  1.00  0.00           H  
HETATM  121  H   UNL     1      10.673  -0.227  -0.561  1.00  0.00           H  
HETATM  122  H   UNL     1      10.716   0.757  -2.044  1.00  0.00           H  
HETATM  123  H   UNL     1      11.047   2.800  -0.679  1.00  0.00           H  
HETATM  124  H   UNL     1      11.004   1.816   0.804  1.00  0.00           H  
HETATM  125  H   UNL     1      12.980   0.542   0.015  1.00  0.00           H  
HETATM  126  H   UNL     1      13.022   1.526  -1.468  1.00  0.00           H  
HETATM  127  H   UNL     1      13.353   3.569  -0.102  1.00  0.00           H  
HETATM  128  H   UNL     1      13.311   2.585   1.380  1.00  0.00           H  
HETATM  129  H   UNL     1      15.286   1.311   0.592  1.00  0.00           H  
HETATM  130  H   UNL     1      15.329   2.295  -0.891  1.00  0.00           H  
HETATM  131  H   UNL     1      15.660   4.338   0.474  1.00  0.00           H  
HETATM  132  H   UNL     1      15.617   3.354   1.957  1.00  0.00           H  
HETATM  133  H   UNL     1      17.592   2.080   1.168  1.00  0.00           H  
HETATM  134  H   UNL     1      17.635   3.063  -0.315  1.00  0.00           H  
HETATM  135  H   UNL     1      17.966   5.107   1.050  1.00  0.00           H  
HETATM  136  H   UNL     1      17.923   4.123   2.533  1.00  0.00           H  
HETATM  137  H   UNL     1      19.899   2.848   1.744  1.00  0.00           H  
HETATM  138  H   UNL     1      19.941   3.832   0.262  1.00  0.00           H  
HETATM  139  H   UNL     1      20.272   5.876   1.627  1.00  0.00           H  
HETATM  140  H   UNL     1      20.229   4.892   3.110  1.00  0.00           H  
HETATM  141  H   UNL     1      22.205   3.617   2.321  1.00  0.00           H  
HETATM  142  H   UNL     1      22.247   4.601   0.838  1.00  0.00           H  
HETATM  143  H   UNL     1      22.578   6.644   2.203  1.00  0.00           H  
HETATM  144  H   UNL     1      22.536   5.661   3.686  1.00  0.00           H  
HETATM  145  H   UNL     1      23.862   5.452   2.517  1.00  0.00           H  
HETATM  146  H   UNL     1      -0.065  -2.976   4.103  1.00  0.00           H  
CONECT    1   27    2   11   60                                       
CONECT    2    1   28    3   61                                       
CONECT    3    2   29    4   62                                       
CONECT    4    3   10   24   63                                       
CONECT    5   12   54   64   65                                       
CONECT    6   14   55   56   56                                       
CONECT    7   15   14   66   67                                       
CONECT    8   15   16   68   69                                       
CONECT    9   16   17   70   71                                       
CONECT   10   11   25    4   72                                       
CONECT   11    1   53   10   73                                       
CONECT   12   57   13    5   74                                       
CONECT   13   55   12   75   76                                       
CONECT   14    7    6   77   78                                       
CONECT   15    8    7   79   80                                       
CONECT   16    8    9   81   82                                       
CONECT   17   30    9   83   84                                       
CONECT   18   19   36   85   86                                       
CONECT   19   20   18   87   88                                       
CONECT   20   19   89   90   91                                       
CONECT   21   22   58   58   57                                       
CONECT   22   37   21   92   93                                       
CONECT   23   59   59                                                 
CONECT   24    4   94                                                 
CONECT   25   10   95                                                 
CONECT   26   59   96                                                 
CONECT   27   59    1                                                 
CONECT   28    2   97                                                 
CONECT   29    3   98                                                 
CONECT   30   31   17   99  100                                       
CONECT   31   32   30  101  102                                       
CONECT   32   33   31  103  104                                       
CONECT   33   34   32  105  106                                       
CONECT   34   35   33  107  108                                       
CONECT   35   36   34  109  110                                       
CONECT   36   18   35  111  112                                       
CONECT   37   38   22  113  114                                       
CONECT   38   39   37  115  116                                       
CONECT   39   40   38  117  118                                       
CONECT   40   41   39  119  120                                       
CONECT   41   42   40  121  122                                       
CONECT   42   43   41  123  124                                       
CONECT   43   44   42  125  126                                       
CONECT   44   45   43  127  128                                       
CONECT   45   46   44  129  130                                       
CONECT   46   47   45  131  132                                       
CONECT   47   48   46  133  134                                       
CONECT   48   49   47  135  136                                       
CONECT   49   50   48  137  138                                       
CONECT   50   51   49  139  140                                       
CONECT   51   52   50  141  142                                       
CONECT   52   51  143  144  145                                       
CONECT   53   11  146                                                 
CONECT   54    5   59                                                 
CONECT   55    6   13                                                 
CONECT   56    6    6                                                 
CONECT   57   21   12                                                 
CONECT   58   21   21                                                 
CONECT   59   54   23   23   26                                       
CONECT   59   27                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    5                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   20                                                      
CONECT   92   22                                                      
CONECT   93   22                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   34                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   35                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   38                                                      
CONECT  116   38                                                      
CONECT  117   39                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   41                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   47                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   48                                                      
CONECT  137   49                                                      
CONECT  138   49                                                      
CONECT  139   50                                                      
CONECT  140   50                                                      
CONECT  141   51                                                      
CONECT  142   51                                                      
CONECT  143   52                                                      
CONECT  144   52                                                      
CONECT  145   52                                                      
CONECT  146   53                                                      
MASTER        0    0    0    0    0    0    0    0  146    0  146    0
END
