COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.630  -3.816  -0.527  1.00  0.00           P  
HETATM    2  O   UNL     1       1.283  -4.941  -1.234  1.00  0.00           O  
HETATM    3  O   UNL     1       0.085  -2.750  -1.604  1.00  0.00           O  
HETATM    4  O   UNL     1      -0.602  -4.374   0.346  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.797  -3.104  -2.671  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.116  -1.860  -3.503  1.00  0.00           C  
HETATM    7  C   UNL     1       0.189  -1.215  -3.977  1.00  0.00           C  
HETATM    8  O   UNL     1       1.039  -0.944  -2.832  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.856  -0.911  -2.690  1.00  0.00           O  
HETATM   10  O   UNL     1       2.551  -0.113  -4.213  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.730  -1.865  -3.371  1.00  0.00           O  
HETATM   12  C   UNL     1       2.438  -3.808   1.440  1.00  0.00           C  
HETATM   13  O   UNL     1       1.696  -3.101   0.444  1.00  0.00           O  
HETATM   14  C   UNL     1       2.123  -3.224   2.819  1.00  0.00           C  
HETATM   15  O   UNL     1       0.725  -3.355   3.084  1.00  0.00           O  
HETATM   16  C   UNL     1       2.917  -3.981   3.886  1.00  0.00           C  
HETATM   17  O   UNL     1       2.623  -3.436   5.174  1.00  0.00           O  
HETATM   18  C   UNL     1       4.414  -3.841   3.603  1.00  0.00           C  
HETATM   19  O   UNL     1       5.156  -4.548   4.599  1.00  0.00           O  
HETATM   20  C   UNL     1       4.729  -4.424   2.224  1.00  0.00           C  
HETATM   21  O   UNL     1       6.127  -4.293   1.959  1.00  0.00           O  
HETATM   22  C   UNL     1       3.935  -3.668   1.157  1.00  0.00           C  
HETATM   23  O   UNL     1       4.229  -4.212  -0.131  1.00  0.00           O  
HETATM   24  C   UNL     1       3.166  -0.064  -1.939  1.00  0.00           C  
HETATM   25  C   UNL     1       4.443   0.575  -2.488  1.00  0.00           C  
HETATM   26  C   UNL     1       5.394   0.891  -1.332  1.00  0.00           C  
HETATM   27  C   UNL     1       6.670   1.530  -1.881  1.00  0.00           C  
HETATM   28  C   UNL     1       7.621   1.845  -0.725  1.00  0.00           C  
HETATM   29  C   UNL     1       8.898   2.485  -1.274  1.00  0.00           C  
HETATM   30  C   UNL     1       9.849   2.801  -0.118  1.00  0.00           C  
HETATM   31  C   UNL     1      11.125   3.440  -0.667  1.00  0.00           C  
HETATM   32  C   UNL     1      12.076   3.756   0.489  1.00  0.00           C  
HETATM   33  C   UNL     1      13.353   4.395  -0.060  1.00  0.00           C  
HETATM   34  C   UNL     1      14.304   4.711   1.096  1.00  0.00           C  
HETATM   35  C   UNL     1      15.580   5.350   0.547  1.00  0.00           C  
HETATM   36  C   UNL     1      16.531   5.666   1.704  1.00  0.00           C  
HETATM   37  C   UNL     1      17.808   6.305   1.154  1.00  0.00           C  
HETATM   38  C   UNL     1      18.759   6.621   2.310  1.00  0.00           C  
HETATM   39  C   UNL     1       2.230  -0.375  -3.078  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.195  -1.013  -2.703  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.030  -0.062  -1.884  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.512  -0.392  -2.076  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.360   0.573  -1.244  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.842   0.243  -1.435  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.690   1.208  -0.604  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.172   0.879  -0.795  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.020   1.843   0.036  1.00  0.00           C  
HETATM   48  C   UNL     1     -12.502   1.514  -0.155  1.00  0.00           C  
HETATM   49  C   UNL     1     -13.350   2.479   0.676  1.00  0.00           C  
HETATM   50  C   UNL     1     -14.832   2.149   0.485  1.00  0.00           C  
HETATM   51  C   UNL     1     -15.680   3.114   1.316  1.00  0.00           C  
HETATM   52  C   UNL     1     -17.162   2.784   1.125  1.00  0.00           C  
HETATM   53  C   UNL     1     -18.010   3.749   1.956  1.00  0.00           C  
HETATM   54  C   UNL     1     -19.492   3.420   1.765  1.00  0.00           C  
HETATM   55  C   UNL     1     -20.340   4.384   2.596  1.00  0.00           C  
HETATM   56  C   UNL     1     -21.822   4.055   2.405  1.00  0.00           C  
HETATM   57  H   UNL     1      -1.077  -3.690   0.837  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.320  -3.852  -3.305  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.720  -3.512  -2.260  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.716  -2.144  -4.367  1.00  0.00           H  
HETATM   61  H   UNL     1       0.702  -1.894  -4.659  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.034  -0.282  -4.494  1.00  0.00           H  
HETATM   63  H   UNL     1       2.161  -4.862   1.420  1.00  0.00           H  
HETATM   64  H   UNL     1       2.400  -2.170   2.840  1.00  0.00           H  
HETATM   65  H   UNL     1       0.453  -3.005   3.944  1.00  0.00           H  
HETATM   66  H   UNL     1       2.640  -5.035   3.866  1.00  0.00           H  
HETATM   67  H   UNL     1       3.093  -3.869   5.900  1.00  0.00           H  
HETATM   68  H   UNL     1       4.691  -2.787   3.623  1.00  0.00           H  
HETATM   69  H   UNL     1       6.114  -4.502   4.482  1.00  0.00           H  
HETATM   70  H   UNL     1       4.452  -5.478   2.203  1.00  0.00           H  
HETATM   71  H   UNL     1       6.692  -4.749   2.597  1.00  0.00           H  
HETATM   72  H   UNL     1       4.211  -2.614   1.177  1.00  0.00           H  
HETATM   73  H   UNL     1       5.162  -4.158  -0.378  1.00  0.00           H  
HETATM   74  H   UNL     1       3.418  -0.986  -1.414  1.00  0.00           H  
HETATM   75  H   UNL     1       2.682   0.626  -1.249  1.00  0.00           H  
HETATM   76  H   UNL     1       4.927  -0.116  -3.178  1.00  0.00           H  
HETATM   77  H   UNL     1       4.191   1.496  -3.013  1.00  0.00           H  
HETATM   78  H   UNL     1       4.909   1.581  -0.642  1.00  0.00           H  
HETATM   79  H   UNL     1       5.646  -0.031  -0.807  1.00  0.00           H  
HETATM   80  H   UNL     1       7.155   0.839  -2.571  1.00  0.00           H  
HETATM   81  H   UNL     1       6.418   2.451  -2.406  1.00  0.00           H  
HETATM   82  H   UNL     1       7.137   2.536  -0.035  1.00  0.00           H  
HETATM   83  H   UNL     1       7.873   0.924  -0.200  1.00  0.00           H  
HETATM   84  H   UNL     1       9.382   1.794  -1.964  1.00  0.00           H  
HETATM   85  H   UNL     1       8.646   3.406  -1.799  1.00  0.00           H  
HETATM   86  H   UNL     1       9.364   3.491   0.572  1.00  0.00           H  
HETATM   87  H   UNL     1      10.101   1.879   0.407  1.00  0.00           H  
HETATM   88  H   UNL     1      11.610   2.749  -1.357  1.00  0.00           H  
HETATM   89  H   UNL     1      10.874   4.361  -1.192  1.00  0.00           H  
HETATM   90  H   UNL     1      11.592   4.446   1.179  1.00  0.00           H  
HETATM   91  H   UNL     1      12.328   2.834   1.015  1.00  0.00           H  
HETATM   92  H   UNL     1      13.837   3.704  -0.750  1.00  0.00           H  
HETATM   93  H   UNL     1      13.101   5.316  -0.585  1.00  0.00           H  
HETATM   94  H   UNL     1      13.819   5.401   1.787  1.00  0.00           H  
HETATM   95  H   UNL     1      14.556   3.789   1.622  1.00  0.00           H  
HETATM   96  H   UNL     1      16.065   4.659  -0.143  1.00  0.00           H  
HETATM   97  H   UNL     1      15.329   6.271   0.022  1.00  0.00           H  
HETATM   98  H   UNL     1      16.047   6.356   2.394  1.00  0.00           H  
HETATM   99  H   UNL     1      16.783   4.744   2.229  1.00  0.00           H  
HETATM  100  H   UNL     1      18.292   5.614   0.464  1.00  0.00           H  
HETATM  101  H   UNL     1      17.556   7.226   0.629  1.00  0.00           H  
HETATM  102  H   UNL     1      19.010   5.699   2.836  1.00  0.00           H  
HETATM  103  H   UNL     1      19.668   7.076   1.919  1.00  0.00           H  
HETATM  104  H   UNL     1      18.274   7.311   3.001  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.768  -0.164  -0.831  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.840   0.961  -2.209  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.774  -0.290  -3.129  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.702  -1.415  -1.751  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.098   0.472  -0.191  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.170   1.596  -1.569  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.104   0.345  -2.489  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.032  -0.780  -1.111  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.429   1.107   0.449  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.501   2.231  -0.929  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.434   0.980  -1.849  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.362  -0.144  -0.470  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.759   1.742   1.089  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.831   2.866  -0.289  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.764   1.615  -1.209  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.692   0.491   0.169  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.089   2.377   1.729  1.00  0.00           H  
HETATM  122  H   UNL     1     -13.161   3.502   0.351  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.094   2.250  -0.568  1.00  0.00           H  
HETATM  124  H   UNL     1     -15.022   1.126   0.810  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.419   3.013   2.369  1.00  0.00           H  
HETATM  126  H   UNL     1     -15.491   4.137   0.991  1.00  0.00           H  
HETATM  127  H   UNL     1     -17.424   2.886   0.072  1.00  0.00           H  
HETATM  128  H   UNL     1     -17.352   1.762   1.450  1.00  0.00           H  
HETATM  129  H   UNL     1     -17.749   3.648   3.009  1.00  0.00           H  
HETATM  130  H   UNL     1     -17.821   4.772   1.631  1.00  0.00           H  
HETATM  131  H   UNL     1     -19.754   3.521   0.712  1.00  0.00           H  
HETATM  132  H   UNL     1     -19.682   2.397   2.090  1.00  0.00           H  
HETATM  133  H   UNL     1     -20.079   4.283   3.649  1.00  0.00           H  
HETATM  134  H   UNL     1     -20.151   5.407   2.271  1.00  0.00           H  
HETATM  135  H   UNL     1     -22.427   4.742   2.997  1.00  0.00           H  
HETATM  136  H   UNL     1     -22.084   4.156   1.352  1.00  0.00           H  
HETATM  137  H   UNL     1     -22.012   3.032   2.730  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   13                                                      
CONECT    2    1    1                                                 
CONECT    3    1    5                                                 
CONECT    4    1   57                                                 
CONECT    5    3    6   58   59                                       
CONECT    6    5    7    9   60                                       
CONECT    7    6    8   61   62                                       
CONECT    8    7   39                                                 
CONECT    9    6   40                                                 
CONECT   10   39   39                                                 
CONECT   11   40   40                                                 
CONECT   12   13   14   22   63                                       
CONECT   13    1   12                                                 
CONECT   14   12   15   16   64                                       
CONECT   15   14   65                                                 
CONECT   16   14   17   18   66                                       
CONECT   17   16   67                                                 
CONECT   18   16   19   20   68                                       
CONECT   19   18   69                                                 
CONECT   20   18   21   22   70                                       
CONECT   21   20   71                                                 
CONECT   22   12   20   23   72                                       
CONECT   23   22   73                                                 
CONECT   24   25   39   74   75                                       
CONECT   25   24   26   76   77                                       
CONECT   26   25   27   78   79                                       
CONECT   27   26   28   80   81                                       
CONECT   28   27   29   82   83                                       
CONECT   29   28   30   84   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   94   95                                       
CONECT   35   34   36   96   97                                       
CONECT   36   35   37   98   99                                       
CONECT   37   36   38  100  101                                       
CONECT   38   37  102  103  104                                       
CONECT   39    8   10   10   24                                       
CONECT   40    9   11   11   41                                       
CONECT   41   40   42  105  106                                       
CONECT   42   41   43  107  108                                       
CONECT   43   42   44  109  110                                       
CONECT   44   43   45  111  112                                       
CONECT   45   44   46  113  114                                       
CONECT   46   45   47  115  116                                       
CONECT   47   46   48  117  118                                       
CONECT   48   47   49  119  120                                       
CONECT   49   48   50  121  122                                       
CONECT   50   49   51  123  124                                       
CONECT   51   50   52  125  126                                       
CONECT   52   51   53  127  128                                       
CONECT   53   52   54  129  130                                       
CONECT   54   53   55  131  132                                       
CONECT   55   54   56  133  134                                       
CONECT   56   55  135  136  137                                       
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   44                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   49                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   50                                                      
CONECT  125   51                                                      
CONECT  126   51                                                      
CONECT  127   52                                                      
CONECT  128   52                                                      
CONECT  129   53                                                      
CONECT  130   53                                                      
CONECT  131   54                                                      
CONECT  132   54                                                      
CONECT  133   55                                                      
CONECT  134   55                                                      
CONECT  135   56                                                      
CONECT  136   56                                                      
CONECT  137   56                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
